Electronic Interactions of n-Doped Perylene Diimide Groups Appended to Polynorbornene Chains: Implications for Electron Transport in Organic Electronics.

PubMed

Nguyen, Minh T; Biberdorf, Joshua D; Holliday, Bradley J; Jones, Richard A

2017-11-01

A polymer consisting of a polynorbornene backbone with perylene diimide (PDI) pendant groups on each monomeric unit is synthesized via ring opening metathesis polymerization. The PDI pendant groups along the polymer backbone, studied by UV-vis absorption, fluorescence emission, and electron paramagnetic resonance spectroscopy in addition to electrochemical methods, show evidence of molecular aggregation and corresponding electronic coupling with neighboring groups, which forms pathways for efficient electron transport from one group to another in a specific reduced form. When n-doped, the title polymer shows redox conductivity of 5.4 × 10 -3 S cm -1 , comparable with crystalline PDI materials, and is therefore a promising material for use in organic electronics. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Full-potential theoretical investigations of electron inelastic mean free paths and extended x-ray absorption fine structure in molybdenum.

PubMed

Chantler, C T; Bourke, J D

2014-04-09

X-ray absorption fine structure (XAFS) spectroscopy is one of the most robust, adaptable, and widely used structural analysis tools available for a range of material classes from bulk solids to aqueous solutions and active catalytic structures. Recent developments in XAFS theory have enabled high-accuracy calculations of spectra over an extended energy range using full-potential cluster modelling, and have demonstrated particular sensitivity in XAFS to a fundamental electron transport property-the electron inelastic mean free path (IMFP). We develop electron IMFP theory using a unique hybrid model that simultaneously incorporates second-order excitation losses, while precisely accounting for optical transitions dictated by the complex band structure of the solid. These advances are coupled with improved XAFS modelling to determine wide energy-range absorption spectra for molybdenum. This represents a critical test case of the theory, as measurements of molybdenum K-edge XAFS represent the most accurate determinations of XAFS spectra for any material. We find that we are able to reproduce an extended range of oscillatory structure in the absorption spectrum, and demonstrate a first-time theoretical determination of the absorption coefficient of molybdenum over the entire extended XAFS range utilizing a full-potential cluster model.

Relativistic Laser Absorption and Magnetic Field Channel Formation in 3D PIC Simulation

NASA Astrophysics Data System (ADS)

Sentoku, Yasuhiko; Mima, Kunioki; Sheng, Zheng-Ming; Kaw, Predhiman; Nishihara, Katsunobu; Nishikawa, Kyoji

2000-10-01

We carried out 3D PIC simulations on overdense plasmas. On the surface of the plasmas, relativistic electrons are generated and transported into overdense plasmas. In the transport, it is found that energy is transferred to dense plasmas by convective cells. Namely, hot electron and cold electron return flows form convective cells through the magnetic instabilities (e.g. Weibel Instability). The heat flux associating with the convective cells and the anomalous stoppings in 3D simulations are compared with these in 2D simulations by Meyer-ter-Vehn etal. and Taguchi etal. [1] M. Honda, J. Meyer-ter-Vehn, and A. Pukhov, Phys. Plasmas 7, 1302, (2000). [2] ``Relativistic Electron Transport Simulation by 2D hybrid Simulation with Darwin Approximation." by T. Taguchi etal. (to be present in the poster of this conference)

First-principles study on the electronic, optical, and transport properties of monolayer α- and β-GeSe

DOE PAGES

Xu, Yuanfeng; Zhang, Hao; Shao, Hezhu; ...

2017-12-15

The extraordinary properties and the novel applications of black phosphorene induce the research interest in the monolayer group-IV monochalcogenides. Here using first-principles calculations, we systematically investigate the electronic, transport, and optical properties of monolayer α- and β-GeSe, revealing a direct band gap of 1.61 eV for monolayer α-GeSe and an indirect band gap of 2.47 eV for monolayer β-GeSe. For monolayer β-GeSe, the electronic/hole transport is anisotropic, with an extremely high electron mobility of 2.93×104cm2/Vs along the armchair direction, comparable to that of black phosphorene. However, for β-GeSe, robust band gaps nearly independent of the applied tensile strain along themore » armchair direction are observed. Both monolayer α- and β-GeSe exhibit anisotropic optical absorption in the visible spectrum.« less

Multispectral Visible/Infrared Sensors Based on Polymer-Metal Nanocomposites

DTIC Science & Technology

2010-01-06

transport in the dielectric zone is governed by an activated tunneling process, while the electron transport in the metallic zone can be described by...electrical pathway has formed at this stage, and thermally activated tunneling dominates the charge transport. At very high metal concentration, metallic...25 -20 -15 -10 -5 0 5 10 Cu rre nt , m A Bias Voltage, V Dark Bright Bright >850 nm Figure 12a. Optical absorption spectrum of Blackberry dye

Light-induced electronic non-equilibrium in plasmonic particles.

PubMed

Kornbluth, Mordechai; Nitzan, Abraham; Seideman, Tamar

2013-05-07

We consider the transient non-equilibrium electronic distribution that is created in a metal nanoparticle upon plasmon excitation. Following light absorption, the created plasmons decohere within a few femtoseconds, producing uncorrelated electron-hole pairs. The corresponding non-thermal electronic distribution evolves in response to the photo-exciting pulse and to subsequent relaxation processes. First, on the femtosecond timescale, the electronic subsystem relaxes to a Fermi-Dirac distribution characterized by an electronic temperature. Next, within picoseconds, thermalization with the underlying lattice phonons leads to a hot particle in internal equilibrium that subsequently equilibrates with the environment. Here we focus on the early stage of this multistep relaxation process, and on the properties of the ensuing non-equilibrium electronic distribution. We consider the form of this distribution as derived from the balance between the optical absorption and the subsequent relaxation processes, and discuss its implication for (a) heating of illuminated plasmonic particles, (b) the possibility to optically induce current in junctions, and (c) the prospect for experimental observation of such light-driven transport phenomena.

Electron requirements for carbon incorporation along a diel light cycle in three marine diatom species.

PubMed

Morelle, Jérôme; Claquin, Pascal

2018-02-23

Diatoms account for about 40% of primary production in highly productive ecosystems. The development of a new generation of fluorometers has made it possible to improve estimation of the electron transport rate from photosystem II, which, when coupled with the carbon incorporation rate enables estimation of the electrons required for carbon fixation. The aim of this study was to investigate the daily dynamics of these electron requirements as a function of the diel light cycle in three relevant diatom species and to apprehend if the method of estimating the electron transport rate can lead to different pictures of the dynamics. The results confirmed the species-dependent capacity for photoacclimation under increasing light levels. Despite daily variations in the photosynthetic parameters, the results of this study underline the low daily variability of the electron requirements estimated using functional absorption of the photosystem II compared to an estimation based on a specific absorption cross section of chlorophyll a. The stability of the electron requirements throughout the day would suggest it is potentially possible to estimate high-frequency primary production by using autonomous variable fluorescence measurements from ships-of-opportunity or moorings, without taking potential daily variation in this parameter into consideration, but this result has to be confirmed on natural phytoplankton assemblages. The results obtained in this study confirm the low electron requirements of diatoms to perform photosynthesis, and suggest a potential additional source of energy for carbon fixation, as recently described in the literature for this class.

Control of Electron Flow Direction in Photoexcited Cycloplatinated Complex Containing Conjugated Polymer-Single Walled Carbon Nanotube Hybrids.

PubMed

Xiong, Wenjuan; Du, Lili; Lo, Kin Cheung; Shi, Haiting; Takaya, Tomohisa; Iwata, Koichi; Chan, Wai Kin; Phillips, David Lee

2018-06-25

Conjugated polymers incorporated with cycloplatinated complexes (P1-Pt and P2-Pt) were used as dispersants for single walled carbon nanotubes (SWCNTs). Significant changes in the UV-vis absorption spectra were observed after the formation of the polymer/SWCNT hybrids. Molecular dynamics (MD) simulations revealed the presence of a strong interaction between the cycloplatinated complex moieties and the SWCNT surface. The photoinduced electron transfer processes in these hybrids were strongly dependent on the type of the comonomer unit. Upon photoexcitation, the excited P1-Pt donates electrons to the SWCNT, while P2-Pt accepts electrons from the photoexcited SWCNT. These observations were supported by results from Raman and femtosecond time-resolved transient absorption spectroscopy experiments. The strong electronic interaction between the Pt complexes and the SWCNT gives rise to a new hybrid system that has a controllable photo-induced electron transfer flow, which are important in regulating the charge transport processes SWCNT-based optoelectronic devices.

The Soviet contributions towards MAP/WINE

NASA Technical Reports Server (NTRS)

Rapoport, Z. TA.; Kazimirovsky, E. S.

1989-01-01

In the winter of 1983 to 1984, the research institutes of the Soviet Union took an active part in the accomplishment of the project Winter in Northern Europe (MAP/WINE) of the Middle Atmosphere Program. Different methods were used to measure temperature, direction and velocity of wind, turbulence, electron concentration in the lower ionosphere, and radio wave absorption. The study of the stratopheric warmings and the related changes in the mesosphere and lower ionosphere was considered of special importance. The analysis of the obtained data has shown, in particular, that during the stratospheric warmings the western wind in winter time becomes weaker and even reverses. At the same time period the electron concentration and the radio wave absorption in the lower ionosphere are often reduced. It is also observed that the high absorption zones move from west to east. These results confirm the concept about the role of the cyclonic circumpolar vortex in the transport of the auroral air to temperate latitudes and about the appearance of conditions for the winter anomalous radio wave absorption.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lingerfelt, David B.; Lestrange, Patrick J.; Radler, Joseph J.

Materials and molecular systems exhibiting long-lived electronic coherence can facilitate coherent transport, opening the door to efficient charge and energy transport beyond traditional methods. Recently, signatures of a possible coherent, recurrent electronic motion were identified in femtosecond pump-probe spectroscopy experiments on a binuclear platinum complex, where a persistent periodic beating in the transient absorption signal’s anisotropy was observed. In this study, we investigate the excitonic dynamics that underlie the suspected electronic coherence for a series of binuclear platinum complexes exhibiting a range of interplatinum distances. Results suggest that the long-lived coherence can only result when competitive electronic couplings are inmore » balance. At longer Pt-Pt distances, the electronic couplings between the two halves of the binuclear system weaken, and exciton localization and recombination is favored on short time scales. For short Pt-Pt distances, electronic couplings between the states in the coherent superposition are stronger than the coupling with other excitonic states, leading to long-lived coherence.« less

Architecture, development and implementation of a SWIR to visible integrated up-conversion imaging device

NASA Astrophysics Data System (ADS)

Sarusi, Gabby; Templeman, Tzvi; Hechster, Elad; Nissim, Nimrod; Vitenberg, Vladimir; Maman, Nitzan; Tal, Amir; Solodar, Assi; Makov, Guy; Abdulhalim, Ibrahim; Visoly-Fisher, Iris; Golan, Yuval

2016-04-01

A new concept of short wavelength infrared (SWIR) to visible upconversion integrated imaging device is proposed, modeled and some initial measured results are presented. The device is a hybrid inorganic-organic device that comprises six nano-metric scale sub-layers grown on n-type GaAs substrates. The first layer is a ~300nm thick PbSe nano-columnar absorber layer grown in (111) orientation to the substrate plan (100), with a diameter of 8- 10nm and therefore exhibit quantum confinement effects parallel to the substrate and bulk properties perpendicular to it. The advantage of this structure is the high oscillator strength and hence absorption to incoming SWIR photons while maintaining the high bulk mobility of photo-excited charges along the columns. The top of the PbSe absorber layer is coated with 20nm thick metal layer that serves as a dual sided mirror, as well as a potentially surface plasmon enhanced absorption in the PbSe nano-columns layer. The photo-excited charges (holes and electrons in opposite directions) are drifted under an external applied field to the OLED section (that is composed of a hole transport layer, an emission layer and an electron transport layer) where they recombine with injected electron from the transparent cathode and emit visible light through this cathode. Due to the high absorption and enhanced transport properties this architecture has the potential of high quantum efficiency, low cost and easy implementation in any optical system. As a bench-mark, alternative concept where InGaAs/InP heterojunction couple to liquid crystal optical spatial light modulator (OSLM) structure was built that shows a full upconversion to visible of 1550nm laser light.

Electric microwave absorption for the study of GaAs/AlGaAs heterostructure systems

NASA Astrophysics Data System (ADS)

Zappe, Hans P.; Jantz, Wolfgang

1990-12-01

The use of magnetic-field-dependent microwave absorption as a nondestructive and contact-free means to study transport behavior in GaAs/AlGaAs devices is explored. This technique allows quick measurement of resistance, mobility, and carrier concentration in bulk substrates as well as in the two-dimensional electron gas of heterostructure quantum wells. The two- and three-dimensional conductivities may be separably evaluated, allowing detailed study of conduction in the active layer of high-electron-mobility devices. A brief theoretical foundation is provided, followed by application of the approach to examination of device structural dependencies, carrier-density conduction behavior, and the effects of etch processing on quantum-well integrity.

TiO2/BiVO4 Nanowire Heterostructure Photoanodes Based on Type II Band Alignment

PubMed Central

2016-01-01

Metal oxides that absorb visible light are attractive for use as photoanodes in photoelectrosynthetic cells. However, their performance is often limited by poor charge carrier transport. We show that this problem can be addressed by using separate materials for light absorption and carrier transport. Here, we report a Ta:TiO2|BiVO4 nanowire photoanode, in which BiVO4 acts as a visible light-absorber and Ta:TiO2 acts as a high surface area electron conductor. Electrochemical and spectroscopic measurements provide experimental evidence for the type II band alignment necessary for favorable electron transfer from BiVO4 to TiO2. The host–guest nanowire architecture presented here allows for simultaneously high light absorption and carrier collection efficiency, with an onset of anodic photocurrent near 0.2 V vs RHE, and a photocurrent density of 2.1 mA/cm2 at 1.23 V vs RHE. PMID:27163032

Correlation-driven insulator-metal transition in near-ideal vanadium dioxide films

DOE PAGES

Gray, A. X.; Jeong, J.; Aetukuri, N. P.; ...

2016-03-18

We use polarization- and temperature-dependent x-ray absorption spectroscopy, in combination with photoelectron microscopy, x-ray diffraction, and electronic transport measurements, to study the driving force behind the insulator-metal transition in VO 2. We show that both the collapse of the insulating gap and the concomitant change in crystal symmetry in homogeneously strained single-crystalline VO 2 films are preceded by the purely electronic softening of Coulomb correlations within V-V singlet dimers. Furthermore, this process starts 7 K (±0.3 K) below the transition temperature, as conventionally defined by electronic transport and x-ray diffraction measurements, and sets the energy scale for driving the near-room-temperaturemore » insulator-metal transition in this technologically promising material.« less

The electron transport mechanism in ester and its influence on bioactivity in the anticancer drug N-(6-ferrocenyl-2-naphthoyl)-L-alanine-glycine ethyl ester(FNLAGEE)

NASA Astrophysics Data System (ADS)

Sudhi, Geethu; Rajina, S. R.; Praveen, S. G.; Xavier, T. S.; Kenny, Peter T. M.; Binoy, J.

2018-05-01

The reactivity of ester group plays key role in inducing bioactivity of many ferrocenyl biconjugated compounds. The ester reactivity can be explained, based on electron transport mechanism using vibrational spectroscopy, aided by DFT simulation. The FT IR and FT Raman spectral measurements have been carried out for N-(6-ferrocenyl-2-naphthoyl)-L-alanine-glycine ethyl ester (FNLAGEE) and the optimized geometry and vibrational spectra have been computed using DFT method, at B3LYP/LANL2DZ level of theory. The cis conformation of ester and electron transport mechanism, thus analyzed, has been correlated to the geometry and the spectral characteristics of ester. To investigate the bioactivity and binding interactions of the molecule, molecular docking simulations and UV-Vis absorption studies of FNLAGEE with BSA and DNA has been performed.

Analysis of electron beam induced deposition (EBID) of residual hydrocarbons in electron microscopy

NASA Astrophysics Data System (ADS)

Rykaczewski, Konrad; White, William B.; Fedorov, Andrei G.

2007-03-01

In this work we have developed a comprehensive dynamic model of electron beam induced deposition (EBID) of residual hydrocarbon coupling mass transport, electron transport and scattering, and species decomposition to predict the deposition of carbon nanopillars. The simulations predict the local species and electron density distributions, as well as the three-demensional morphology and the growth rate of the deposit. Since the process occurs in a high vacuum environment, surface diffusion is considered as the primary transport mode of surface-adsorbed hydrocarbon precursor. The governing surface transport equation (STE) of the adsorbed species is derived and solved numerically. The transport, scattering, and absorption of primary electron as well as secondary electron generation are treated using the Monte Carlo method. Low energy secondary electrons are the major contributors to hydrocarbon decomposition due to their energy range matching peak dissociation reaction cross section energies for precursor molecules. The deposit and substrate are treated as a continuous entity allowing the simulation of the growth of a realistically sized deposit rather than a large number of cells representing each individual atom as in previously published simulations [Mitsuishi et al., Ultramicroscopy 103, 17 (2005); Silvis-Cividjian, Ph.D. thesis, University of Delft, 2002]. Such formulation allows for simple coupling of the STE with the dynamic growth of the nanopillar. Three different growth regimes occurring in EBID are identified using scaling analysis, and simulations are used to describe the deposit morphology and precursor surface concentration specific for each growth regime.

Fused electron deficient semiconducting polymers for air stable electron transport.

PubMed

Onwubiko, Ada; Yue, Wan; Jellett, Cameron; Xiao, Mingfei; Chen, Hung-Yang; Ravva, Mahesh Kumar; Hanifi, David A; Knall, Astrid-Caroline; Purushothaman, Balaji; Nikolka, Mark; Flores, Jean-Charles; Salleo, Alberto; Bredas, Jean-Luc; Sirringhaus, Henning; Hayoz, Pascal; McCulloch, Iain

2018-01-29

Conventional semiconducting polymer synthesis typically involves transition metal-mediated coupling reactions that link aromatic units with single bonds along the backbone. Rotation around these bonds contributes to conformational and energetic disorder and therefore potentially limits charge delocalisation, whereas the use of transition metals presents difficulties for sustainability and application in biological environments. Here we show that a simple aldol condensation reaction can prepare polymers where double bonds lock-in a rigid backbone conformation, thus eliminating free rotation along the conjugated backbone. This polymerisation route requires neither organometallic monomers nor transition metal catalysts and offers a reliable design strategy to facilitate delocalisation of frontier molecular orbitals, elimination of energetic disorder arising from rotational torsion and allowing closer interchain electronic coupling. These characteristics are desirable for high charge carrier mobilities. Our polymers with a high electron affinity display long wavelength NIR absorption with air stable electron transport in solution processed organic thin film transistors.

Simple model of a coherent molecular photocell

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ernzerhof, Matthias, E-mail: Matthias.Ernzerhof@UMontreal.ca; Bélanger, Marc-André; Mayou, Didier

2016-04-07

Electron transport in molecular electronic devices is often dominated by a coherent mechanism in which the wave function extends from the left contact over the molecule to the right contact. If the device is exposed to light, photon absorption in the molecule might occur, turning the device into a molecular photocell. The photon absorption promotes an electron to higher energy levels and thus modifies the electron transmission probability through the device. A model for such a molecular photocell is presented that minimizes the complexity of the problem while providing a non-trivial description of the device mechanism. In particular, the rolemore » of the molecule in the photocell is investigated. It is described within the Hückel method and the source-sink potential approach [F. Goyer, M. Ernzerhof, and M. Zhuang, J. Chem. Phys. 126, 144104 (2007)] is used to eliminate the contacts in favor of complex-valued potentials. Furthermore, the photons are explicitly incorporated into the model through a second-quantized field. This facilitates the description of the photon absorption process with a stationary state calculation, where eigenvalues and eigenvectors are determined. The model developed is applied to various generic molecular photocells.« less

Atomic structure, electronic properties, and band offsets of SrRuO3/TiO2 heterojunctions

NASA Astrophysics Data System (ADS)

Ferdous, Naheed; Ertekin, Elif

2015-03-01

Photocatalytic water splitting by sunlight can in principle be an environmentally green approach to hydrogen fuel production, but at present photocatalytic conversion efficiencies remain too small. In titanium dioxide (TiO2) , the most commonly used photocatalyst, the biggest limitation arises from poor absorption of visible light. One way to increase the visible light absorption is to create a composite heterojunction by integrating TiO2 with a strongly light absorbing material. Inspired by experimental results demonstrating good light absorption in the correlated metal oxide Strontium Ruthenate (SrRuO3) , as well as enhanced photocatalytic activity of SrRuO3/TiO2 heterojunctions, we have carried out electronic structure calculations based on density functional theory to explain and improve on the observed properties of such heterojunctions. Our calculations present that this heterojunction exhibits type-II band alignment which is necessary to transport optically excited electrons from the SrRuO3 to the TiO2, with calculated work functions in good agreement with experimental measurements. Also, DFT calculations help to explain the origin of large light absorption in the correlated metal oxide, which arises from electronic excitations from O 2p levels into the Ru d-orbital quasiparticle states in the material. The use of correlated metal oxide/ TiO2 heterojunctions is a potentially interesting approach to improved photocatalytic activity.

High-Efficiency Selective Electron Tunnelling in a Heterostructure Photovoltaic Diode.

PubMed

Jia, Chuancheng; Ma, Wei; Gu, Chunhui; Chen, Hongliang; Yu, Haomiao; Li, Xinxi; Zhang, Fan; Gu, Lin; Xia, Andong; Hou, Xiaoyuan; Meng, Sheng; Guo, Xuefeng

2016-06-08

A heterostructure photovoltaic diode featuring an all-solid-state TiO2/graphene/dye ternary interface with high-efficiency photogenerated charge separation/transport is described here. Light absorption is accomplished by dye molecules deposited on the outside surface of graphene as photoreceptors to produce photoexcited electron-hole pairs. Unlike conventional photovoltaic conversion, in this heterostructure both photoexcited electrons and holes tunnel along the same direction into graphene, but only electrons display efficient ballistic transport toward the TiO2 transport layer, thus leading to effective photon-to-electricity conversion. On the basis of this ipsilateral selective electron tunnelling (ISET) mechanism, a model monolayer photovoltaic device (PVD) possessing a TiO2/graphene/acridine orange ternary interface showed ∼86.8% interfacial separation/collection efficiency, which guaranteed an ultrahigh absorbed photon-to-current efficiency (APCE, ∼80%). Such an ISET-based PVD may become a fundamental device architecture for photovoltaic solar cells, photoelectric detectors, and other novel optoelectronic applications with obvious advantages, such as high efficiency, easy fabrication, scalability, and universal availability of cost-effective materials.

Origin of the different transport properties of electron and hole polarons in an ambipolar polyselenophene-based conjugated polymer

NASA Astrophysics Data System (ADS)

Chen, Zhuoying; Bird, Matthew; Lemaur, Vincent; Radtke, Guillaume; Cornil, Jérôme; Heeney, Martin; McCulloch, Iain; Sirringhaus, Henning

2011-09-01

Understanding the mechanisms limiting ambipolar transport in conjugated polymer field-effect transistors (FETs) is of both fundamental and practical interest. Here, we present a systematic study comparing hole and electron charge transport in an ambipolar conjugated polymer, semicrystalline poly(3,3''-di-n-decylterselenophene) (PSSS). Starting from a detailed analysis of the device characteristics and temperature/charge-density dependence of the mobility, we interpret the difference between hole and electron transport through both the Vissenberg-Matters and the mobility-edge model. To obtain microscopic insight into the quantum mechanical wave function of the charges at a molecular level, we combine charge modulation spectroscopy (CMS) measuring the charge-induced absorption signatures from positive and negative polarons in these ambipolar FETs with corresponding density functional theory (DFT) calculations. We observe a significantly higher switch-on voltage for electrons than for holes due to deep electron trap states, but also a higher activation energy of the mobility for mobile electrons. The CMS spectra reveal that the electrons that remain mobile and contribute to the FET current have a wave function that is more localized onto a single polymer chain than that of holes, which is extended over several polymer chains. We interpret this as evidence that the transport properties of the mobile electrons in PSSS are still affected by the presence of deep electron traps. The more localized electron state could be due to the mobile electrons interacting with shallow trap states in the vicinity of a chemical, potentially water-related, impurity that might precede the capture of the electron into a deeply trapped state.

ELECTRON MICROSCOPY OF ABSORPTION OF TRACER MATERIALS BY TOAD URINARY BLADDER EPITHELIUM

PubMed Central

Choi, Jae Kwon

1965-01-01

The absorption of Thorotrast and saccharated iron oxide by the epithelium of the toad urinary bladder was studied by electron microscopy. Whether the toads were hydrated, dehydrated, or given Pitressin, no significant differences in transport of colloidal particles by epithelial cells were observed. This implies that these physiological factors had little effect on the transport of the tracer particles. Tracer particles were encountered in three types of epithelial cells which line the bladder lumen, but most frequently in the mitochondria-rich cells. Tracer materials were incorporated into the cytoplasm of epithelial cells after being adsorbed to the coating layer covering the luminal surface of the cells. In the intermediate stage (1 to 3 hours after introducing tracer) particles were present in small vesicles, tubules, and multivesicular bodies. In the later stages (up to 65 hours), the particles were more commonly seen to be densely packed within large membrane-bounded bodies which were often found near the Golgi region. These large bodies probably were formed by the fusion of small vesicles. Irrespective of the stages of absorption, no particles were found in the intercellular spaces or in the submucosa. Particles apparently did not penetrate the intercellular spaces of the epithelium beyond the level of the tight junction. PMID:14287173

SU-E-T-489: Quantum versus Classical Trajectory Monte Carlo Simulations of Low Energy Electron Transport.

PubMed

Thomson, R; Kawrakow, I

2012-06-01

Widely-used classical trajectory Monte Carlo simulations of low energy electron transport neglect the quantum nature of electrons; however, at sub-1 keV energies quantum effects have the potential to become significant. This work compares quantum and classical simulations within a simplified model of electron transport in water. Electron transport is modeled in water droplets using quantum mechanical (QM) and classical trajectory Monte Carlo (MC) methods. Water droplets are modeled as collections of point scatterers representing water molecules from which electrons may be isotropically scattered. The role of inelastic scattering is investigated by introducing absorption. QM calculations involve numerically solving a system of coupled equations for the electron wavefield incident on each scatterer. A minimum distance between scatterers is introduced to approximate structured water. The average QM water droplet incoherent cross section is compared with the MC cross section; a relative error (RE) on the MC results is computed. RE varies with electron energy, average and minimum distances between scatterers, and scattering amplitude. The mean free path is generally the relevant length scale for estimating RE. The introduction of a minimum distance between scatterers increases RE substantially (factors of 5 to 10), suggesting that the structure of water must be modeled for accurate simulations. Inelastic scattering does not improve agreement between QM and MC simulations: for the same magnitude of elastic scattering, the introduction of inelastic scattering increases RE. Droplet cross sections are sensitive to droplet size and shape; considerable variations in RE are observed with changing droplet size and shape. At sub-1 keV energies, quantum effects may become non-negligible for electron transport in condensed media. Electron transport is strongly affected by the structure of the medium. Inelastic scatter does not improve agreement between QM and MC simulations of low energy electron transport in condensed media. © 2012 American Association of Physicists in Medicine.

Observation of Reverse Saturable Absorption of an X-ray Laser

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cho, B. I.; Cho, M. S.; Kim, M.

A nonlinear absorber in which the excited state absorption is larger than the ground state can undergo a process called reverse saturable absorption. It is a well-known phenomenon in laser physics in the optical regime, but is more difficult to generate in the x-ray regime, where fast nonradiative core electron transitions typically dominate the population kinetics during light matter interactions. Here, we report the first observation of decreasing x-ray transmission in a solid target pumped by intense x-ray free electron laser pulses. The measurement has been made below the K-absorption edge of aluminum, and the x-ray intensity ranges are 10more » 16 –10 17 W=cm 2. It has been confirmed by collisional radiative population kinetic calculations, underscoring the fast spectral modulation of the x-ray pulses and charge states relevant to the absorption and transmission of x-ray photons. The processes shown through detailed simulations are consistent with reverse saturable absorption, which would be the first observation of this phenomena in the x-ray regime. These light matter interactions provide a unique opportunity to investigate optical transport properties in the extreme state of matters, as well as affording the potential to regulate ultrafast x-ray freeelectron laser pulses.« less

Observation of Reverse Saturable Absorption of an X-ray Laser

DOE PAGES

Cho, B. I.; Cho, M. S.; Kim, M.; ...

2017-08-16

A nonlinear absorber in which the excited state absorption is larger than the ground state can undergo a process called reverse saturable absorption. It is a well-known phenomenon in laser physics in the optical regime, but is more difficult to generate in the x-ray regime, where fast nonradiative core electron transitions typically dominate the population kinetics during light matter interactions. Here, we report the first observation of decreasing x-ray transmission in a solid target pumped by intense x-ray free electron laser pulses. The measurement has been made below the K-absorption edge of aluminum, and the x-ray intensity ranges are 10more » 16 –10 17 W=cm 2. It has been confirmed by collisional radiative population kinetic calculations, underscoring the fast spectral modulation of the x-ray pulses and charge states relevant to the absorption and transmission of x-ray photons. The processes shown through detailed simulations are consistent with reverse saturable absorption, which would be the first observation of this phenomena in the x-ray regime. These light matter interactions provide a unique opportunity to investigate optical transport properties in the extreme state of matters, as well as affording the potential to regulate ultrafast x-ray freeelectron laser pulses.« less

A Monte Carlo Code for Relativistic Radiation Transport Around Kerr Black Holes

NASA Technical Reports Server (NTRS)

Schnittman, Jeremy David; Krolik, Julian H.

2013-01-01

We present a new code for radiation transport around Kerr black holes, including arbitrary emission and absorption mechanisms, as well as electron scattering and polarization. The code is particularly useful for analyzing accretion flows made up of optically thick disks and optically thin coronae. We give a detailed description of the methods employed in the code and also present results from a number of numerical tests to assess its accuracy and convergence.

Electron transport in solid targets and in the active mixture of a CO2 laser amplifier

NASA Astrophysics Data System (ADS)

Galkowski, A.

The paper examines the use of the NIKE code for the Monte Carlo computation of the deposited energy profile and other characteristics of the absorption process of an electron beam in a solid target and the spatial distribution of primary ionization in the active mixture of a CO2 laser amplifier. The problem is considered in connection with the generation of intense electron beams and the acceleration of thin metal foils, as well as in connection with the electric discharge pumping of a CO2 laser amplifier.

Structural Design Principle of Small-Molecule Organic Semiconductors for Metal-Free, Visible-Light-Promoted Photocatalysis.

PubMed

Wang, Lei; Huang, Wei; Li, Run; Gehrig, Dominik; Blom, Paul W M; Landfester, Katharina; Zhang, Kai A I

2016-08-08

Herein, we report on the structural design principle of small-molecule organic semiconductors as metal-free, pure organic and visible light-active photocatalysts. Two series of electron-donor and acceptor-type organic semiconductor molecules were synthesized to meet crucial requirements, such as 1) absorption range in the visible region, 2) sufficient photoredox potential, and 3) long lifetime of photogenerated excitons. The photocatalytic activity was demonstrated in the intermolecular C-H functionalization of electron-rich heteroaromates with malonate derivatives. A mechanistic study of the light-induced electron transport between the organic photocatalyst, substrate, and the sacrificial agent are described. With their tunable absorption range and defined energy-band structure, the small-molecule organic semiconductors could offer a new class of metal-free and visible light-active photocatalysts for chemical reactions. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Band-like transport in highly crystalline graphene films from defective graphene oxides.

PubMed

Negishi, R; Akabori, M; Ito, T; Watanabe, Y; Kobayashi, Y

2016-07-01

The electrical transport property of the reduced graphene oxide (rGO) thin-films synthesized from defective GO through thermal treatment in a reactive ethanol environment at high temperature above 1000 °C shows a band-like transport with small thermal activation energy (Ea~10 meV) that occurs during high carrier mobility (~210 cm(2)/Vs). Electrical and structural analysis using X-ray absorption fine structure, the valence band photo-electron, Raman spectra and transmission electron microscopy indicate that a high temperature process above 1000 °C in the ethanol environment leads to an extraordinary expansion of the conjugated π-electron system in rGO due to the efficient restoration of the graphitic structure. We reveal that Ea decreases with the increasing density of states near the Fermi level due to the expansion of the conjugated π-electron system in the rGO. This means that Ea corresponds to the energy gap between the top of the valence band and the bottom of the conduction band. The origin of the band-like transport can be explained by the carriers, which are more easily excited into the conduction band due to the decreasing energy gap with the expansion of the conjugated π-electron system in the rGO.

Band-like transport in highly crystalline graphene films from defective graphene oxides

NASA Astrophysics Data System (ADS)

Negishi, R.; Akabori, M.; Ito, T.; Watanabe, Y.; Kobayashi, Y.

2016-07-01

The electrical transport property of the reduced graphene oxide (rGO) thin-films synthesized from defective GO through thermal treatment in a reactive ethanol environment at high temperature above 1000 °C shows a band-like transport with small thermal activation energy (Ea~10 meV) that occurs during high carrier mobility (~210 cm2/Vs). Electrical and structural analysis using X-ray absorption fine structure, the valence band photo-electron, Raman spectra and transmission electron microscopy indicate that a high temperature process above 1000 °C in the ethanol environment leads to an extraordinary expansion of the conjugated π-electron system in rGO due to the efficient restoration of the graphitic structure. We reveal that Ea decreases with the increasing density of states near the Fermi level due to the expansion of the conjugated π-electron system in the rGO. This means that Ea corresponds to the energy gap between the top of the valence band and the bottom of the conduction band. The origin of the band-like transport can be explained by the carriers, which are more easily excited into the conduction band due to the decreasing energy gap with the expansion of the conjugated π-electron system in the rGO.

Broadband Light Absorption and Efficient Charge Separation Using a Light Scattering Layer with Mixed Cavities for High-Performance Perovskite Photovoltaic Cells with Stability.

PubMed

Moon, Byeong Cheul; Park, Jung Hyo; Lee, Dong Ki; Tsvetkov, Nikolai; Ock, Ilwoo; Choi, Kyung Min; Kang, Jeung Ku

2017-08-01

CH 3 NH 3 PbI 3 is one of the promising light sensitizers for perovskite photovoltaic cells, but a thick layer is required to enhance light absorption in the long-wavelength regime ranging from PbI 2 absorption edge (500 nm) to its optical band-gap edge (780 nm) in visible light. Meanwhile, the thick perovskite layer suppresses visible-light absorption in the short wavelengths below 500 nm and charge extraction capability of electron-hole pairs produced upon light absorption. Herein, we find that a new light scattering layer with the mixed cavities of sizes in 100 and 200 nm between transparent fluorine-doped tin oxide and mesoporous titanium dioxide electron transport layer enables full absorption of short-wavelength photons (λ < 500 nm) to the perovskite along with enhanced absorption of long-wavelength photons (500 nm < λ < 780 nm). Moreover, the light-driven electric field is proven to allow efficient charge extraction upon light absorption, thereby leading to the increased photocurrent density as well as the fill factor prompted by the slow recombination rate. Additionally, the photocurrent density of the cell with a light scattering layer of mixed cavities is stabilized due to suppressed charge accumulation. Consequently, this work provides a new route to realize broadband light harvesting of visible light for high-performance perovskite photovoltaic cells. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Properties of the ferroelectric visible light absorbing semiconductors: Sn 2 P 2 S 6 and Sn 2 P 2 Se 6

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Yuwei; Singh, David J.

Ferroelectrics with suitable band gaps have recently attracted attention as candidate solar absorbing materials for photovoltaics. The inversion symmetry breaking may promote the separation of photoexcited carriers and allow voltages higher than the band gap. However, these effects are not fully understood, in part because of a lack of suitable model systems for studying these effects in detail. Here, we report properties of ferroelectric Sn 2P 2S 6 and Sn 2P 2Se 6 using first principles calculations. Results are given for the electronic structure, carrier pocket shapes, optical absorption, and transport.We find indirect band gaps of 2.20 eV and 1.55more » eV, respectively, and favorable band structures for carrier transport, including both holes and electrons. Strong absorption is found above the direct gaps of 2.43 eV and 1.76 eV. Furthermore these compounds may serve as useful model systems for understanding photovoltaic effects in ferroelectric semiconductors.« less

Properties of the ferroelectric visible light absorbing semiconductors: Sn 2 P 2 S 6 and Sn 2 P 2 Se 6

DOE PAGES

Li, Yuwei; Singh, David J.

2017-12-05

Ferroelectrics with suitable band gaps have recently attracted attention as candidate solar absorbing materials for photovoltaics. The inversion symmetry breaking may promote the separation of photoexcited carriers and allow voltages higher than the band gap. However, these effects are not fully understood, in part because of a lack of suitable model systems for studying these effects in detail. Here, we report properties of ferroelectric Sn 2P 2S 6 and Sn 2P 2Se 6 using first principles calculations. Results are given for the electronic structure, carrier pocket shapes, optical absorption, and transport.We find indirect band gaps of 2.20 eV and 1.55more » eV, respectively, and favorable band structures for carrier transport, including both holes and electrons. Strong absorption is found above the direct gaps of 2.43 eV and 1.76 eV. Furthermore these compounds may serve as useful model systems for understanding photovoltaic effects in ferroelectric semiconductors.« less

Anaerobic humus and Fe(III) reduction and electron transport pathway by a novel humus-reducing bacterium, Thauera humireducens SgZ-1.

PubMed

Ma, Chen; Yu, Zhen; Lu, Qin; Zhuang, Li; Zhou, Shun-Gui

2015-04-01

In this study, an anaerobic batch experiment was conducted to investigate the humus- and Fe(III)-reducing ability of a novel humus-reducing bacterium, Thauera humireducens SgZ-1. Inhibition tests were also performed to explore the electron transport pathways with various electron acceptors. The results indicate that in anaerobic conditions, strain SgZ-1 possesses the ability to reduce a humus analog, humic acids, soluble Fe(III), and Fe(III) oxides. Acetate, propionate, lactate, and pyruvate were suitable electron donors for humus and Fe(III) reduction by strain SgZ-1, while fermentable sugars (glucose and sucrose) were not. UV-visible spectra obtained from intact cells of strain SgZ-1 showed absorption peaks at 420, 522, and 553 nm, characteristic of c-type cytochromes (cyt c). Dithionite-reduced cyt c was reoxidized by Fe-EDTA and HFO (hydrous ferric oxide), which suggests that cyt c within intact cells of strain SgZ-1 has the ability to donate electrons to extracellular Fe(III) species. Inhibition tests revealed that dehydrogenases, quinones, and cytochromes b/c (cyt b/c) were involved in reduction of AQS (9, 10-anthraquinone-2-sulfonic acid, humus analog) and oxygen. In contrast, only NADH dehydrogenase was linked to electron transport to HFO, while dehydrogenases and cyt b/c were found to participate in the reduction of Fe-EDTA. Thus, various different electron transport pathways are employed by strain SgZ-1 for different electron acceptors. The results from this study help in understanding the electron transport processes and environmental responses of the genus Thauera.

DPM, a fast, accurate Monte Carlo code optimized for photon and electron radiotherapy treatment planning dose calculations

NASA Astrophysics Data System (ADS)

Sempau, Josep; Wilderman, Scott J.; Bielajew, Alex F.

2000-08-01

A new Monte Carlo (MC) algorithm, the `dose planning method' (DPM), and its associated computer program for simulating the transport of electrons and photons in radiotherapy class problems employing primary electron beams, is presented. DPM is intended to be a high-accuracy MC alternative to the current generation of treatment planning codes which rely on analytical algorithms based on an approximate solution of the photon/electron Boltzmann transport equation. For primary electron beams, DPM is capable of computing 3D dose distributions (in 1 mm3 voxels) which agree to within 1% in dose maximum with widely used and exhaustively benchmarked general-purpose public-domain MC codes in only a fraction of the CPU time. A representative problem, the simulation of 1 million 10 MeV electrons impinging upon a water phantom of 1283 voxels of 1 mm on a side, can be performed by DPM in roughly 3 min on a modern desktop workstation. DPM achieves this performance by employing transport mechanics and electron multiple scattering distribution functions which have been derived to permit long transport steps (of the order of 5 mm) which can cross heterogeneity boundaries. The underlying algorithm is a `mixed' class simulation scheme, with differential cross sections for hard inelastic collisions and bremsstrahlung events described in an approximate manner to simplify their sampling. The continuous energy loss approximation is employed for energy losses below some predefined thresholds, and photon transport (including Compton, photoelectric absorption and pair production) is simulated in an analogue manner. The δ-scattering method (Woodcock tracking) is adopted to minimize the computational costs of transporting photons across voxels.

Exciplex formation and electroluminescent absorption in ultraviolet organic light-emitting diodes

NASA Astrophysics Data System (ADS)

Zhang, Qi; Zhang, Hao; Zhang, Xiao-Wen; Xu, Tao; Wei, Bin

2015-02-01

We investigated the formation of exciplex and electroluminescent absorption in ultraviolet organic light-emitting diodes (UV OLEDs) using different heterojunction structures. It is found that an energy barrier of over 0.3 eV between the emissive layer (EML) and adjacent transport layer facilitates exciplex formation. The electron blocking layer effectively confines electrons in the EML, which contributes to pure UV emission and enhances efficiency. The change in EML thickness generates tunable UV emission from 376 nm to 406 nm. In addition, the UV emission excites low-energy organic function layers and produces photoluminescent emission. In UV OLED, avoiding the exciplex formation and averting light absorption can effectively improve the purity and efficiency. A maximum external quantum efficiency of 1.2% with a UV emission peak of 376 nm is realized. Project supported by the National Natural Science Foundation of China (Grant Nos. 61136003 and 61275041) and the Guangxi Provincial Natural Science Foundation, China (Grant No. 2012GXNSFBA053168).

Measurement of Electronic States of PbS Nanocrystal Quantum Dots Using Scanning Tunneling Spectroscopy: The Role of Parity Selection Rules in Optical Absorption

NASA Astrophysics Data System (ADS)

Diaconescu, Bogdan; Padilha, Lazaro A.; Nagpal, Prashant; Swartzentruber, Brian S.; Klimov, Victor I.

2013-03-01

We study the structure of electronic states in individual PbS nanocrystal quantum dots by scanning tunneling spectroscopy (STS) using one-to-two monolayer nanocrystal films treated with 1, 2-ethanedithiols (EDT). Up to six individual valence and conduction band states are resolved for a range of quantum dot sizes. The measured states’ energies are in good agreement with calculations using the k·p four-band envelope function formalism. A comparison of STS and optical absorption spectra indicates that some of the absorption features can only be explained by asymmetric transitions involving the states of different symmetries (e.g., S and P or P and D), which points towards the relaxation of the parity selection rules in these nanostructures. STS measurements also reveal a midgap feature, which is likely similar to one observed in previous charge transport studies of EDT-treated quantum dot films.

Microwave-induced resistance oscillations on a high-mobility two-dimensional electron gas: Exact waveform, absorption/reflection and temperature damping

NASA Astrophysics Data System (ADS)

Studenikin, S. A.; Potemski, M.; Sachrajda, A.; Hilke, M.; Pfeiffer, L. N.; West, K. W.

2005-06-01

In this work we address experimentally a number of unresolved issues related to microwave induced resistance oscillations (MIROs) leading to the zero-resistance states observed recently on 2D electron gases in GaAs/AlGaAs heterostructures. We stress the importance of the electrodynamic effects detected in both reflection and absorption experiments, although they are not revealed in transport experiments on very high mobility samples. We also study the exact waveform of MIROs and their damping due to temperature. A simple equation is given, which can be considered as phenomenological, which describes precisely the experimental MIROs waveform. The waveform depends only on a single parameter—the width of the Landau levels, which is related to the quantum lifetime. A very good correlation was found between the temperature dependencies of the quantum lifetime from MIROs and the transport scattering time from the electron mobility with a ratio τtr/τq≃20 . It is found that the prefactor in the equation for MIROs decays as 1/T2 with the temperature which can be explained within the distribution function model suggested by Dmitriev . The results are compared with measurements of the Shubnikov-de Haas oscillations down to 30mK on the same sample.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Yuanfeng; Zhang, Hao; Shao, Hezhu

The extraordinary properties and the novel applications of black phosphorene induce the research interest in the monolayer group-IV monochalcogenides. Here using first-principles calculations, we systematically investigate the electronic, transport, and optical properties of monolayer α- and β-GeSe, revealing a direct band gap of 1.61 eV for monolayer α-GeSe and an indirect band gap of 2.47 eV for monolayer β-GeSe. For monolayer β-GeSe, the electronic/hole transport is anisotropic, with an extremely high electron mobility of 2.93×104cm2/Vs along the armchair direction, comparable to that of black phosphorene. However, for β-GeSe, robust band gaps nearly independent of the applied tensile strain along themore » armchair direction are observed. Both monolayer α- and β-GeSe exhibit anisotropic optical absorption in the visible spectrum.« less

Exciton confinement in organic dendrimer quantum wells for opto-electronic applications

NASA Astrophysics Data System (ADS)

Lupton, J. M.; Samuel, I. D. W.; Burn, P. L.; Mukamel, S.

2002-01-01

Organic dendrimers are a fascinating new class of materials for opto-electronic applications. We present coupled electronic oscillator calculations on novel nanoscale conjugated dendrimers for use in organic light-emitting diodes. Strong confinement of excitations at the center of the dendrimers is observed, which accounts for the dependence of intermolecular interactions and charge transport on the degree of branching of the dendrimer. The calculated absorption spectra are in excellent agreement with the measured data and show that benzene rings are shared between excitations on the linear segments of the hyperbranched molecules. The coupled electronic oscillator approach is ideally suited to treat large dendritic molecules.

Effect of π-bridge units on properties of A-π-D-π-A-type nonfullerene acceptors for organic solar cells.

PubMed

Wang, Yan-Ling; Li, Quan-Song; Li, Ze-Sheng

2018-05-15

Acceptor-π-donor-π-acceptor (A-π-D-π-A)-types of small molecules are very promising nonfullerene acceptors to overcome the drawbacks of fullerene derivatives such as the weak absorption ability and electronic adjustability. However, only few attempts have been made to develop π-bridge units to construct highly efficient acceptors in OSCs. Herein, taking the reported acceptor P1 as a reference, five small-structured acceptors (P2, P3, P4, P5, and P6) have been designed via the replacement of the π-bridge unit. A combination of quantum chemistry and Marcus theory approaches is employed to investigate the effect of different π-bridge units on the optical, electronic, and charge transport properties of P1-P6. The calculation results show that the designed molecules P2 and P5 can become potential acceptor replacements of P1 due to their red-shifted absorption bands, appropriate energy levels, low exciton binding energy, and high electron affinity and electron mobility. Additionally, compared with P3HT/P1, P3HT/P2 and P3HT/P5 exhibit stronger and wider absorption peaks, larger electron transfer distances (DCT), greater transferred charge amounts (Δq), and smaller overlaps (Λ), which shows that P2 and P5 have more significant electron transfer characteristics and favorable exciton dissociation capabilities for enhancing the short-circuit current density (JSC) and thus, they are potential acceptors in OSCs.

Local protein solvation drives direct down-conversion in phycobiliprotein PC645 via incoherent vibronic transport

PubMed Central

Blau, Samuel M.; Bennett, Doran I. G.; Kreisbeck, Christoph; Scholes, Gregory D.; Aspuru-Guzik, Alán

2018-01-01

The mechanisms controlling excitation energy transport (EET) in light-harvesting complexes remain controversial. Following the observation of long-lived beats in 2D electronic spectroscopy of PC645, vibronic coherence, the delocalization of excited states between pigments supported by a resonant vibration, has been proposed to enable direct excitation transport from the highest-energy to the lowest-energy pigments, bypassing a collection of intermediate states. Here, we instead show that for phycobiliprotein PC645 an incoherent vibronic transport mechanism is at play. We quantify the solvation dynamics of individual pigments using ab initio quantum mechanics/molecular mechanics (QM/MM) nuclear dynamics. Our atomistic spectral densities reproduce experimental observations ranging from absorption and fluorescence spectra to the timescales and selectivity of down-conversion observed in transient absorption measurements. We construct a general model for vibronic dimers and establish the parameter regimes of coherent and incoherent vibronic transport. We demonstrate that direct down-conversion in PC645 proceeds incoherently, enhanced by large reorganization energies and a broad collection of high-frequency vibrations. We suggest that a similar incoherent mechanism is appropriate across phycobiliproteins and represents a potential design principle for nanoscale control of EET. PMID:29588417

The effect of density fluctuations on electron cyclotron beam broadening and implications for ITER

NASA Astrophysics Data System (ADS)

Snicker, A.; Poli, E.; Maj, O.; Guidi, L.; Köhn, A.; Weber, H.; Conway, G.; Henderson, M.; Saibene, G.

2018-01-01

We present state-of-the-art computations of propagation and absorption of electron cyclotron waves, retaining the effects of scattering due to electron density fluctuations. In ITER, injected microwaves are foreseen to suppress neoclassical tearing modes (NTMs) by driving current at the q=2 and q=3/2 resonant surfaces. Scattering of the beam can spoil the good localization of the absorption and thus impair NTM control capabilities. A novel tool, the WKBeam code, has been employed here in order to investigate this issue. The code is a Monte Carlo solver for the wave kinetic equation and retains diffraction, full axisymmetric tokamak geometry, determination of the absorption profile and an integral form of the scattering operator which describes the effects of turbulent density fluctuations within the limits of the Born scattering approximation. The approach has been benchmarked against the paraxial WKB code TORBEAM and the full-wave code IPF-FDMC. In particular, the Born approximation is found to be valid for ITER parameters. In this paper, we show that the radiative transport of EC beams due to wave scattering in ITER is diffusive unlike in present experiments, thus causing up to a factor of 2-4 broadening in the absorption profile. However, the broadening depends strongly on the turbulence model assumed for the density fluctuations, which still has large uncertainties.

A soft X-ray spectroscopic perspective of electron localization and transport in tungsten doped bismuth vanadate single crystals.

PubMed

Jovic, Vedran; Rettie, Alexander J E; Singh, Vijay R; Zhou, Jianshi; Lamoureux, Bethany; Buddie Mullins, C; Bluhm, Hendrik; Laverock, Jude; Smith, Kevin E

2016-11-23

Doped BiVO 4 is a promising photoelectrochemical water splitting anode, whose activity is hampered by poor charge transport. Here we use a set of X-ray spectroscopic methods to probe the origin and nature of localized electron states in W:BiVO 4 . Furthermore, using the polarized nature of the X-rays, we probe variations in the electronic structure along the crystal axes. In this manner, we reveal aspects of the electronic structure related to electron localization and observations consistent with conductivity anisotropy between the ab-plane and c-axis. We verify that tungsten substitutes as W 6+ for V 5+ in BiVO 4 . This is shown to result in the presence of inter-band gap states related to electrons at V 4+ sites of e symmetry. The energetic position of the states in the band gap suggest that they are highly localized and may act as recombination centres. Polarization dependent X-ray absorption spectra reveal anisotropy in the electronic structure between the ab-plane and c-axis. Results show the superior hybridization between V 3d and O 2p states, higher V wavefunction overlap and broader conduction bands in the ab-plane than in the c-axis. These insights into the electronic structure are discussed in the context of existing experimental and theoretical reports regarding charge transport in BiVO 4 .

Nanostructured organic/inorganic semicondutor photovoltaics: Investigation on morphology and optoelectronics performance

NASA Astrophysics Data System (ADS)

Wanninayake, Aruna Pushpa Kumara

Organic solar cell is a promising technology because of the versatility of organic materials in terms of tunability of their electrical and optical properties. In addition, their relative insensitivity to film imperfections potentially allows for very low-cost high-throughput roll-to-roll processing. However, the power conversion efficiency of organic solar cell is still limited and needs to be improved in order to be competitive with grid parity. This work is focused on the design and characterization of a new organic/inorganic hybrid device to enhance the efficiency factors of bilayer organic solar cells such as: light absorption, exciton diffusion, exciton dissociation, charge transportation and charge collection at the electrodes. In a hybrid solar cell operation, external quantum efficiency is determined by these five factors. The external quantum efficiency has linear relationship to the power conversation efficiency via short circuit current density. Bulk heterojunction (BHJ) PSCs benefit from a homogeneous donor-acceptor (D-A) contact interface compared to their inorganic counterpart. A homogenous D-A interface offers a longer free path for charge carriers, resulting in a longer diffusional pathway and a larger coulomb interaction between electrons and holes. This is triggered by the low dielectric constant of organic semiconductors. Among various conventional donor-acceptor structures, poly(3-hexylthiophene)/[6,6]-phenyl-C70-butyric acid methyl ester (P3HT/PCBM) mixture is the most promising and ideal donor-acceptor pair due to their unique properties. In order to take benefits from both organic and inorganic materials, inorganic nanoparticles are incorporated in this donor-acceptor polymer structure. Light trapping enhances light absorption and increases efficiencies with thinner device structure. In this study, copper oxide nanoparticles are used in the P3HT/PC70BM active layer to optimize the optical absorption properties in the blend. In addition, zinc oxide nanoparticles are used for tuning the conjugated polymer films due to their high electron accepting ability and optical absorption properties. In the zinc oxide structure, electrons exhibit higher mobility, which enhances the exciton dissociation efficiency. In addition, metal nanoparticles such as gold are added to the hole transport layer to enhance the overall hole transport ability. The optimum morphology of P3HT/PCBM films is described by two main features: 1) the molecular ordering within the donor or acceptor phase, which affects the photon absorption and carrier mobility; and 2) the scale of phase separation between the donor and the acceptor, which can directly influence the exciton dissociation and charge transport and/or collection processes. Hence, the molecular ordering and the phase separation between the donor and acceptor phases are crucial for solar cells with high efficiency. Optimization of the morphology of the organic/inorganic hybrid layers will be achieved via thermal annealing. The main goal of this work is to fabricate inorganic nanoparticles incorporated polymer PV devices with increased power conversion efficiency (PCE). This goal is achieved through four research objectives which are 1) enhancement of exciton generation and morphology by CuO NPs, 2) enhancement of exciton transportation and carrier diffusion by thermal annealing, 3) Improvement of exciton dissociation and electron mobility using ZnO NPs, and 4) improvement of hole collection ability using Au NPs. The key findings in this research can be applied to fabricate solar cells with higher power conversion efficiencies.

Band gap opening and optical absorption enhancement in graphene using ZnO nanocluster

NASA Astrophysics Data System (ADS)

Monshi, M. M.; Aghaei, S. M.; Calizo, I.

2018-05-01

Electronic, optical and transport properties of the graphene/ZnO heterostructure have been explored using first-principles density functional theory. The results show that Zn12O12 can open a band gap of 14.5 meV in graphene, increase its optical absorption by 1.67 times covering the visible spectrum which extends to the infra-red (IR) range, and exhibits a slight non-linear I-V characteristic depending on the applied bias. These findings envisage that a graphene/Zn12O12 heterostructure can be appropriate for energy harvesting, photodetection, and photochemical devices.

Photovoltaic devices based on quantum dot functionalized nanowire arrays embedded in an organic matrix

NASA Astrophysics Data System (ADS)

Kung, Patrick; Harris, Nicholas; Shen, Gang; Wilbert, David S.; Baughman, William; Balci, Soner; Dawahre, Nabil; Butler, Lee; Rivera, Elmer; Nikles, David; Kim, Seongsin M.

2012-01-01

Quantum dot (QD) functionalized nanowire arrays are attractive structures for low cost high efficiency solar cells. QDs have the potential for higher quantum efficiency, increased stability and lifetime compared to traditional dyes, as well as the potential for multiple electron generation per photon. Nanowire array scaffolds constitute efficient, low resistance electron transport pathways which minimize the hopping mechanism in the charge transport process of quantum dot solar cells. However, the use of liquid electrolytes as a hole transport medium within such scaffold device structures have led to significant degradation of the QDs. In this work, we first present the synthesis uniform single crystalline ZnO nanowire arrays and their functionalization with InP/ZnS core-shell quantum dots. The structures are characterized using electron microscopy, optical absorption, photoluminescence and Raman spectroscopy. Complementing photoluminescence, transmission electron microanalysis is used to reveal the successful QD attachment process and the atomistic interface between the ZnO and the QD. Energy dispersive spectroscopy reveals the co-localized presence of indium, phosphorus, and sulphur, suggestive of the core-shell nature of the QDs. The functionalized nanowire arrays are subsequently embedded in a poly-3(hexylthiophene) hole transport matrix with a high degree of polymer infiltration to complete the device structure prior to measurement.

Bicarbonate absorption by rabbit cortical collecting tubules in vitro.

PubMed

McKinney, T D; Burg, M B

1978-02-01

The rate of transport of bicarbonate was studied in isolated perfused rabbit cortical collecting tubules that were absorbing bicarbonate in vitro. Acetazolamide completely inhibited bicarbonate absorption, as was previously observed with isolated proximal tubules. Therefore, carbonic anhydrase probably is important for bicarbonate absorption in both the proximal tubules and collecting tubules. Inhibition of sodium transport by ouabain or elimination of its transport by completely removing the sodium did not cause a decrease in bicarbonate absorption by the collecting tubules. We previously found that inhibition of sodium transport caused a great decrease in bicarbonate absorption by proximal tubules. Therefore, absorption of bicarbonate is not directly related to sodium transport in collecting tubules, but it probably is related to sodium transport in isolated perfused rabbit proximal tubules. Amiloride inhibited bicarbonate absorption by the collecting tubules consistent with previous observations that the drug inhibits urinary acidification. Although amiloride also inhibits sodium transport and reduces the transepithelial voltage across the collecting tubules, the effect of the drug on bicarbonate transport apparently is independent of the other effects.

A General Design Rule to Manipulate Photocarrier Transport Path in Solar Cells and Its Realization by the Plasmonic-Electrical Effect

NASA Astrophysics Data System (ADS)

Sha, Wei E. I.; Zhu, Hugh L.; Chen, Luzhou; Chew, Weng Cho; Choy, Wallace C. H.

2015-02-01

It is well known that transport paths of photocarriers (electrons and holes) before collected by electrodes strongly affect bulk recombination and thus electrical properties of solar cells, including open-circuit voltage and fill factor. For boosting device performance, a general design rule, tailored to arbitrary electron to hole mobility ratio, is proposed to decide the transport paths of photocarriers. Due to a unique ability to localize and concentrate light, plasmonics is explored to manipulate photocarrier transport through spatially redistributing light absorption at the active layer of devices. Without changing the active materials, we conceive a plasmonic-electrical concept, which tunes electrical properties of solar cells via the plasmon-modified optical field distribution, to realize the design rule. Incorporating spectrally and spatially configurable metallic nanostructures, thin-film solar cells are theoretically modelled and experimentally fabricated to validate the design rule and verify the plasmonic-tunable electrical properties. The general design rule, together with the plasmonic-electrical effect, contributes to the evolution of emerging photovoltaics.

Photoelectron transport tuning of self-assembled subbands

NASA Astrophysics Data System (ADS)

Xiong, Zhengwei; Wang, Xinmin; Wu, Weidong; Wang, Xuemin; Peng, Liping; Zhao, Yan; Yan, Dawei; Jiang, Tao; Shen, Changle; Zhan, Zhiqiang; Cao, Linhong; Li, Weihua

2016-02-01

Conventionally, electrical transport of quantum subbands occurs at very high electric fields, indicating that the medium is easy to break down. In the experiments and practical applications, the extreme condition is difficult to satisfy. For quantum information transmission, low power consumption and convenient implementation are what we expect. In this paper, we engineered a special quantum dot array (QDA) embedded in a single crystal matrix. By external optical field excitation, we found a series of subbands made of the self-assembled QDA discretely located in the matrix. Changing the spacing between the quantum dots leads to the variation of subband spacing. Artificially manipulating the microcosmic QDA system can bring interesting macroscopic effects, such as an enhanced absorption intensity in the ultraviolet range, a blue-shift of the surface plasmon resonance peak and nonlinear absorption changed from two-photon absorption to saturated absorption. The intrinsic mechanism of the subband optical response was revealed due to the strong quantum confinement effect and dominant intraband transitions. The weak surface plasmon resonance absorption of Ni QDA gave an excellent figure of merit of the order of 10-10. The composite films are expectation enough to become a prime candidate for nonlinear applications near 532 nm. Therefore with interplay of the weak optical field and subbands, we achieved a tunable photoelectron transport process.Conventionally, electrical transport of quantum subbands occurs at very high electric fields, indicating that the medium is easy to break down. In the experiments and practical applications, the extreme condition is difficult to satisfy. For quantum information transmission, low power consumption and convenient implementation are what we expect. In this paper, we engineered a special quantum dot array (QDA) embedded in a single crystal matrix. By external optical field excitation, we found a series of subbands made of the self-assembled QDA discretely located in the matrix. Changing the spacing between the quantum dots leads to the variation of subband spacing. Artificially manipulating the microcosmic QDA system can bring interesting macroscopic effects, such as an enhanced absorption intensity in the ultraviolet range, a blue-shift of the surface plasmon resonance peak and nonlinear absorption changed from two-photon absorption to saturated absorption. The intrinsic mechanism of the subband optical response was revealed due to the strong quantum confinement effect and dominant intraband transitions. The weak surface plasmon resonance absorption of Ni QDA gave an excellent figure of merit of the order of 10-10. The composite films are expectation enough to become a prime candidate for nonlinear applications near 532 nm. Therefore with interplay of the weak optical field and subbands, we achieved a tunable photoelectron transport process. Electronic supplementary information (ESI) available: Tables 1 and 2. See DOI: 10.1039/c5nr07861j

Coupling between absorption and scattering in disordered colloids

NASA Astrophysics Data System (ADS)

Stephenson, Anna; Hwang, Victoria; Park, Jin-Gyu; Manoharan, Vinothan N.

We aim to understand how scattering and absorption are coupled in disordered colloidal suspensions containing absorbing molecules (dyes). When the absorption length is shorter than the transport length, absorption dominates, and absorption and scattering can be seen as two additive effects. However, when the transport length is shorter than the absorption length, the scattering and absorption become coupled, as multiple scattering increases the path length of the light in the sample, leading to a higher probability of absorption. To quantify this synergistic effect, we measure the diffuse reflectance spectra of colloidal samples of varying dye concentrations, thicknesses, and particle concentrations, and we calculate the transport length and absorption length from our measurements, using a radiative transfer model. At particle concentrations so high that the particles form disordered packings, we find a minimum in the transport length. We show that selecting a dye where the absorption peak matches the location of the minimum in the transport length allows for enhanced absorption. Kraft-Heinz Corporation, NSF GRFP 2015200426.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pavelka, M.; Gangl, A.

The involvement of microtubules in the transepithelial transport of exogenous lipid in intestinal absorptive cells has been suggested. Using electronmicroscopic, biochemical, and radiochemical methods, researchers have studied the effects of the antimicrotubular agent colchicine on the intestinal mucosa and on the intestinal transport of endogenous lipid of rats in the fasting state. After colchicine treatment, the concentration of triglycerides in intestinal mucosa of rats fasted for 24 h doubled, and electron microscopic studies showed a striking accumulation of lipid particles in absorptive epithelial cells of the tips of jejunal villi. These findings suggest that colchicine interferes with the intestinal transepithelialmore » transport of endogenous lipoproteins. Additional studies, using an intraduodenal pulse injection of (/sup 14/C)linoleic acid, showed that colchicine does not affect the uptake of fatty acids by intestinal mucosa. However, it had divergent effects on fatty acid esterification, enhancing their incorporation into triglycerides relative to phospholipids, and caused a significant accumulation of endogenous diglycerides, triglycerides, and cholesterol esters within the absorptive intestinal epithelium. Detailed ultrastructural and morphometric studies revealed a decrease of visible microtubules, and a displacement of the smooth and rough endoplasmic reticulum and Golgi apparatus. Furthermore, it is shown that after colchicine treatment, microvilli appear at the lateral plasma membrane of intestinal absorptive cells, a change not previously reported to our knowledge. Thus, our study shows that colchicine causes significant changes in enterocyte ultrastructure and colchicine perturbs the reesterification of absorbed endogenous fatty acids and their secretion in the form of triglyceride-rich lipoproteins from the enterocyte.« less

Exciton generation/dissociation/charge-transfer enhancement in inorganic/organic hybrid solar cells by robust single nanocrystalline LnPxOy (Ln = Eu, Y) doping.

PubMed

Jin, Xiao; Sun, Weifu; Chen, Zihan; Wei, Taihuei; Chen, Chuyang; He, Xingdao; Yuan, Yongbiao; Li, Yue; Li, Qinghua

2014-06-11

Low-temperature solution-processed photovoltaics suffer from low efficiencies because of poor exciton or electron-hole transfer. Inorganic/organic hybrid solar cell, although still in its infancy, has attracted great interest thus far. One of the promising ways to enhance exciton dissociation or electron-hole transport is the doping of lanthanide phosphate ions. However, the underlying photophysical mechanism remains poorly understood. Herein, by applying femtosecond transient absorption spectroscopy, we successfully distinguished hot electron, less energetic electron, hole transport from electron-hole recombination. Concrete evidence has been provided that lanthanide phosphate doping improves the efficiency of both hot electron and "less energetic" electron transfers from donor to acceptor, but the hole transport almost remains unchanged. In particular, the hot electron transfer lifetime was shortened from 30.2 to 12.7 ps, that is, more than 60% faster than pure TiO2 acceptor. Such improvement was ascribed to the facts that the conduction band (CB) edge energy level of TiO2 has been elevated by 0.2 eV, while the valence band level almost remains unchanged, thus not only narrowing the energy offset between CB levels of TiO2 and P3HT, but also meanwhile enlarging the band gap of TiO2 itself that permits one to inhibit electron-hole recombination within TiO2. Consequently, lanthanide phosphate doped TiO2/P3HT bulk-heterojunction solar cell has been demonstrated to be a promising hybrid solar cell, and a notable power conversion efficiency of 2.91% is therefore attained. This work indicates that lanthanide compound ions can efficiently facilitate exciton generation, dissociation, and charge transport, thus enhancing photovoltaic performance.

Electrical and optical transport properties of single layer WSe2

NASA Astrophysics Data System (ADS)

Tahir, M.

2018-03-01

The electronic properties of single layer WSe2 are distinct from the famous graphene due to strong spin orbit coupling, a huge band gap and an anisotropic lifting of the degeneracy of the valley degree of freedom under Zeeman field. In this work, band structure of the monolayer WSe2 is evaluated in the presence of spin and valley Zeeman fields to study the electrical and optical transport properties. Using Kubo formalism, an explicit expression for the electrical Hall conductivity is examined at finite temperatures. The electrical longitudinal conductivity is also evaluated. Further, the longitudinal and Hall optical conductivities are analyzed. It is observed that the contributions of the spin-up and spin-down states to the power absorption spectrum depend on the valley index. The numerical results exhibit absorption peaks as a function of photon energy, ℏ ω, in the range ∼ 1.5 -2 eV. Also, the optical response lies in the visible frequency range in contrast to the conventional two-dimensional electron gas or graphene where the response is limited to terahertz regime. This ability to isolate carriers in spin-valley coupled structures may make WSe2 a promising candidate for future spintronics, valleytronics and optical devices.

Excess Diffuse Light Absorption in Upper Mesophyll Limits CO2 Drawdown and Depresses Photosynthesis1[OPEN

PubMed Central

Gilbert, Matthew E.; McElrone, Andrew J.

2017-01-01

In agricultural and natural systems, diffuse light can enhance plant primary productivity due to deeper penetration into and greater irradiance of the entire canopy. However, for individual sun-grown leaves from three species, photosynthesis is actually less efficient under diffuse compared with direct light. Despite its potential impact on canopy-level productivity, the mechanism for this leaf-level diffuse light photosynthetic depression effect is unknown. Here, we investigate if the spatial distribution of light absorption relative to electron transport capacity in sun- and shade-grown sunflower (Helianthus annuus) leaves underlies its previously observed diffuse light photosynthetic depression. Using a new one-dimensional porous medium finite element gas-exchange model parameterized with light absorption profiles, we found that weaker penetration of diffuse versus direct light into the mesophyll of sun-grown sunflower leaves led to a more heterogenous saturation of electron transport capacity and lowered its CO2 concentration drawdown capacity in the intercellular airspace and chloroplast stroma. This decoupling of light availability from photosynthetic capacity under diffuse light is sufficient to generate an 11% decline in photosynthesis in sun-grown but not shade-grown leaves, primarily because thin shade-grown leaves similarly distribute diffuse and direct light throughout the mesophyll. Finally, we illustrate how diffuse light photosynthetic depression could overcome enhancement in canopies with low light extinction coefficients and/or leaf area, pointing toward a novel direction for future research. PMID:28432257

Excess Diffuse Light Absorption in Upper Mesophyll Limits CO2 Drawdown and Depresses Photosynthesis.

PubMed

Earles, J Mason; Théroux-Rancourt, Guillaume; Gilbert, Matthew E; McElrone, Andrew J; Brodersen, Craig R

2017-06-01

In agricultural and natural systems, diffuse light can enhance plant primary productivity due to deeper penetration into and greater irradiance of the entire canopy. However, for individual sun-grown leaves from three species, photosynthesis is actually less efficient under diffuse compared with direct light. Despite its potential impact on canopy-level productivity, the mechanism for this leaf-level diffuse light photosynthetic depression effect is unknown. Here, we investigate if the spatial distribution of light absorption relative to electron transport capacity in sun- and shade-grown sunflower ( Helianthus annuus ) leaves underlies its previously observed diffuse light photosynthetic depression. Using a new one-dimensional porous medium finite element gas-exchange model parameterized with light absorption profiles, we found that weaker penetration of diffuse versus direct light into the mesophyll of sun-grown sunflower leaves led to a more heterogenous saturation of electron transport capacity and lowered its CO 2 concentration drawdown capacity in the intercellular airspace and chloroplast stroma. This decoupling of light availability from photosynthetic capacity under diffuse light is sufficient to generate an 11% decline in photosynthesis in sun-grown but not shade-grown leaves, primarily because thin shade-grown leaves similarly distribute diffuse and direct light throughout the mesophyll. Finally, we illustrate how diffuse light photosynthetic depression could overcome enhancement in canopies with low light extinction coefficients and/or leaf area, pointing toward a novel direction for future research. © 2017 American Society of Plant Biologists. All Rights Reserved.

Transport modeling of convection dominated helicon discharges in Proto-MPEX with the B2.5-Eirene code

NASA Astrophysics Data System (ADS)

Owen, L. W.; Rapp, J.; Canik, J.; Lore, J. D.

2017-11-01

Data-constrained interpretative analyses of plasma transport in convection dominated helicon discharges in the Proto-MPEX linear device, and predictive calculations with additional Electron Cyclotron Heating/Electron Bernstein Wave (ECH/EBW) heating, are reported. The B2.5-Eirene code, in which the multi-fluid plasma code B2.5 is coupled to the kinetic Monte Carlo neutrals code Eirene, is used to fit double Langmuir probe measurements and fast camera data in front of a stainless-steel target. The absorbed helicon and ECH power (11 kW) and spatially constant anomalous transport coefficients that are deduced from fitting of the probe and optical data are additionally used for predictive simulations of complete axial distributions of the densities, temperatures, plasma flow velocities, particle and energy fluxes, and possible effects of alternate fueling and pumping scenarios. The somewhat hollow electron density and temperature radial profiles from the probe data suggest that Trivelpiece-Gould wave absorption is the dominant helicon electron heating source in the discharges analyzed here. There is no external ion heating, but the corresponding calculated ion temperature radial profile is not hollow. Rather it reflects ion heating by the electron-ion equilibration terms in the energy balance equations and ion radial transport resulting from the hollow density profile. With the absorbed power and the transport model deduced from fitting the sheath limited discharge data, calculated conduction limited higher recycling conditions were produced by reducing the pumping and increasing the gas fueling rate, resulting in an approximate doubling of the target ion flux and reduction of the target heat flux.

Tuning the Direction of Intramolecular Charge Transfer and the Nature of the Fluorescent State in a T-Shaped Molecular Dyad.

PubMed

Felouat, Abdellah; D'Aléo, Anthony; Charaf-Eddin, Azzam; Jacquemin, Denis; Le Guennic, Boris; Kim, Eunsun; Lee, Kwang Jin; Woo, Jae Heun; Ribierre, Jean-Charles; Wu, Jeong Weon; Fages, Frédéric

2015-06-18

Controlling photoinduced intramolecular charge transfer at the molecular scale is key to the development of molecular devices for nanooptoelectronics. Here, we describe the design, synthesis, electronic characterization, and photophysical properties of two electron donor-acceptor molecular systems that consist of tolane and BF2-containing curcuminoid chromophoric subunits connected in a T-shaped arrangement. The two π-conjugated segments intersect at the electron acceptor dioxaborine core. From steady-state electronic absorption and fluorescence emission, we find that the photophysics of the dialkylamino-substituted analogue is governed by the occurrence of two closely lying excited states. From DFT calculations, we show that excitation in either of these two states results in a distinct shift of the electron density, whether it occurs along the curcuminoid or tolane moiety. Femtosecond transient absorption spectroscopy confirmed these findings. As a consequence, the nature of the emitting state and the photophysical properties are strongly dependent on solvent polarity. Moreover, these characteristics can also be switched by protonation or complexation at the nitrogen atom of the amino group. These features set new approaches toward the construction of a three-terminal molecular system in which the lateral branch would transduce a change of electronic state and ultimately control charge transport in a molecular-scale device.

Optical absorption and thermal transport of individual suspended carbon nanotube bundles.

PubMed

Hsu, I-Kai; Pettes, Michael T; Bushmaker, Adam; Aykol, Mehmet; Shi, Li; Cronin, Stephen B

2009-02-01

A focused laser beam is used to heat individual single-walled carbon nanotube bundles bridging two suspended microthermometers. By measurement of the temperature rise of the two thermometers, the optical absorption of 7.4-10.3 nm diameter bundles is found to be between 0.03 and 0.44% of the incident photons in the 0.4 microm diameter laser spot. The thermal conductance of the bundle is obtained with the additional measurement of the temperature rise of the nanotubes in the laser spot from shifts in the Raman G band frequency. According to the nanotube bundle diameter determined by transmission electron microscopy, the thermal conductivity is obtained.

Electron and proton absorption calculations for a graphite/epoxy composite model. [large space structures

NASA Technical Reports Server (NTRS)

Long, E. R., Jr.

1979-01-01

The Bethe-Bloch stopping power relations for inelastic collisions were used to determine the absorption of electron and proton energy in cured neat epoxy resin and the absorption of electron energy in a graphite/epoxy composite. Absorption of electron energy due to bremsstrahlung was determined. Electron energies from 0.2 to 4.0 MeV and proton energies from 0.3 to 1.75 MeV were used. Monoenergetic electron energy absorption profiles for models of pure graphite, cured neat epoxy resin, and graphite/epoxy composites are reported. A relation is determined for depth of uniform energy absorption in a composite as a function of fiber volume fraction and initial electron energy. Monoenergetic proton energy absorption profiles are reported for the neat resin model. A relation for total proton penetration in the epoxy resin as a function of initial proton energy is determined. Electron energy absorption in the composite due to bremsstrahlung is reported. Electron and proton energy absorption profiles in cured neat epoxy resin are reported for environments approximating geosynchronous earth orbit.

Three-dimensional architecture hybrid perovskite solar cells using CdS nanorod arrays as an electron transport layer

NASA Astrophysics Data System (ADS)

Song, Zihang; Tong, Guoqing; Li, Huan; Li, Guopeng; Ma, Shuai; Yu, Shimeng; Liu, Qian; Jiang, Yang

2018-01-01

Three-dimensional (3D) architecture perovskite solar cells (PSCs) using CdS nanorod (NR) arrays as an electron transport layer were designed and prepared layer-by-layer via a physical-chemical vapor deposition (P-CVD) process. The CdS NRs not only provided a scaffold to the perovskite film, but also increased the interfacial contact between the perovskite film and electron transport layer. As an optimized result, a high power conversion efficiency of 12.46% with a short-circuit current density of 19.88 mA cm-2, an open-circuit voltage of 1.01 V and a fill factor of 62.06% was obtained after 12 h growth of CdS NRs. It was four times the efficiency of contrast planar structure with a similar thickness. The P-CVD method assisted in achieving flat and voidless CH3NH3PbI3-x Cl x perovskite film and binding the CdS NRs and perovskite film together. The different density of CdS NRs had obvious effects on light transmittance of 350-550 nm, the interfacial area and the difficulty of combining layers. Moreover, the efficient 1D transport paths for electrons and multiple absorption of light, which are generated in 3D architecture, were beneficial to realize a decent power conversion efficiency.

Interband cascade detectors

NASA Technical Reports Server (NTRS)

Chuang, Shun Lien (Inventor); Li, Jian (Inventor); Yang, Rui Q. (Inventor)

2007-01-01

A device for detecting radiation, typically in the infrared. Photons are absorbed in an active region of a semiconductor device such that the absorption induces an interband electronic transition and generates photo-excited charge carriers. The charge carriers are coupled into a carrier transport region having multiple quantum wells and characterized by intersubband relaxation that provides rapid charge carrier collection. The photo-excited carriers are collected from the carrier transport region at a conducting contact region. Another carrier transport region characterized by interband tunneling for multiple stages draws charge carriers from another conducting contact and replenishes the charge carriers to the active region for photo-excitation. A photocurrent is generated between the conducting contacts through the active region of the device.

Tailorable Exciton Transport in Doped Peptide–Amphiphile Assemblies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Solomon, Lee A.; Sykes, Matthew E.; Wu, Yimin A.

Light-harvesting biomaterials are an attractive target in photovoltaics, photocatalysis, and artificial photosynthesis. Through peptide self-assembly, complex nanostructures can be engineered to study the role of chromophore organization during light absorption and energy transport. To this end, we demonstrate the one-dimensional transport of excitons along naturally occurring, light-harvesting, Zn-protoporphyrin IX chromophores within self-assembled peptide-amphiphile nanofibers. The internal structure of the nanofibers induces packing of the porphyrins into linear chains. We find that this peptide assembly can enable long-range exciton diffusion, yet it also induces the formation of excimers between adjacent molecules, which serve as exciton traps. Electronic coupling between neighboring porphyrinmore » molecules is confirmed by various spectroscopic methods. The exciton diffusion process is then probed through transient photoluminescence and absorption measurements and fit to a model for one-dimensional hopping. Because excimer formation impedes exciton hopping, increasing the interchromophore spacing allows for improved diffusivity, which we control through porphyrin doping levels. We show that diffusion lengths of over 60 nm are possible at low porphyrin doping, representing an order of magnitude improvement over the highest doping fractions.« less

Tailorable Exciton Transport in Doped Peptide-Amphiphile Assemblies.

PubMed

Solomon, Lee A; Sykes, Matthew E; Wu, Yimin A; Schaller, Richard D; Wiederrecht, Gary P; Fry, H Christopher

2017-09-26

Light-harvesting biomaterials are an attractive target in photovoltaics, photocatalysis, and artificial photosynthesis. Through peptide self-assembly, complex nanostructures can be engineered to study the role of chromophore organization during light absorption and energy transport. To this end, we demonstrate the one-dimensional transport of excitons along naturally occurring, light-harvesting, Zn-protoporphyrin IX chromophores within self-assembled peptide-amphiphile nanofibers. The internal structure of the nanofibers induces packing of the porphyrins into linear chains. We find that this peptide assembly can enable long-range exciton diffusion, yet it also induces the formation of excimers between adjacent molecules, which serve as exciton traps. Electronic coupling between neighboring porphyrin molecules is confirmed by various spectroscopic methods. The exciton diffusion process is then probed through transient photoluminescence and absorption measurements and fit to a model for one-dimensional hopping. Because excimer formation impedes exciton hopping, increasing the interchromophore spacing allows for improved diffusivity, which we control through porphyrin doping levels. We show that diffusion lengths of over 60 nm are possible at low porphyrin doping, representing an order of magnitude improvement over the highest doping fractions.

Programmed self-assembly of large π-conjugated molecules into electroactive one-dimensional nanostructures

PubMed Central

Yamamoto, Yohei

2012-01-01

Electroactive one-dimensional (1D) nano-objects possess inherent unidirectional charge and energy transport capabilities along with anisotropic absorption and emission of light, which are of great advantage for the development of nanometer-scale electronics and optoelectronics. In particular, molecular nanowires formed by self-assembly of π-conjugated molecules attract increasing attention for application in supramolecular electronics. This review introduces recent topics related to electroactive molecular nanowires. The nanowires are classified into four categories with respect to the electronic states of the constituent molecules: electron donors, acceptors, donor–acceptor pairs and miscellaneous molecules that display interesting electronic properties. Although many challenges still remain for practical use, state-of-the-art 1D supramolecular nanomaterials have already brought significant advances to both fundamental chemical sciences and technological applications. PMID:27877488

Interfacial Engineering and Charge Carrier Dynamics in Extremely Thin Absorber Solar Cells

NASA Astrophysics Data System (ADS)

Edley, Michael

Photovoltaic energy is a clean and renewable source of electricity; however, it faces resistance to widespread use due to cost. Nanostructuring decouples constraints related to light absorption and charge separation, potentially reducing cost by allowing a wider variety of processing techniques and materials to be used. However, the large interfacial areas also cause an increased dark current which negatively affects cell efficiency. This work focuses on extremely thin absorber (ETA) solar cells that used a ZnO nanowire array as a scaffold for an extremely thin CdSe absorber layer. Photoexcited electrons generated in the CdSe absorber are transferred to the ZnO layer, while photogenerated holes are transferred to the liquid electrolyte. The transfer of photoexcited carriers to their transport layer competes with bulk recombination in the absorber layer. After charge separation, transport of charge carriers to their respective contacts must occur faster than interfacial recombination for efficient collection. Charge separation and collection depend sensitively on the dimensions of the materials as well as their interfaces. We demonstrated that an optimal absorber thickness can balance light absorption and charge separation. By treating the ZnO/CdSe interface with a CdS buffer layer, we were able to improve the Voc and fill factor, increasing the ETA cell's efficiency from 0.53% to 1.34%, which is higher than that achievable using planar films of the same material. We have gained additional insight into designing ETA cells through the use of dynamic measurements. Ultrafast transient absorption spectroscopy revealed that characteristic times for electron injection from CdSe to ZnO are less than 1 ps. Electron injection is rapid compared to the 2 ns bulk lifetime in CdSe. Optoelectronic measurements such as transient photocurrent/photovoltage and electrochemical impedance spectroscopy were applied to study the processes of charge transport and interfacial recombination. With these techniques, the extension of the depletion layer from CdSe into ZnO was determined to be vital to suppression of interfacial recombination. However, depletion of the ZnO also restricted the effective diffusion core for electrons and slowed their transport. Thus, materials and geometries should be chosen to allow for a depletion layer that suppresses interfacial recombination without impeding electron transport to the point that it is detrimental to cell performance. Thin film solar cells are another promising technology that can reduce costs by relaxing material processing requirements. CuInxGa (1-x)Se (CIGS) is a well studied thin film solar cell material that has achieved good efficiencies of 22.6%. However, use of rare elements raise concerns over the use of CIGS for global power production. CuSbS2 shares chemistry with CuInSe2 and also presents desirable properties for thin film absorbers such as optimal band gap (1.5 eV), high absorption coefficient, and Earth-abundant and non-toxic elements. Despite the promise of CuSbS2, direct characterization of the material for solar cell application is scarce in the literature. CuSbS2 nanoplates were synthesized by a colloidal hot-injection method at 220 °C in oleylamine. The CuSbS2 platelets synthesized for 30 minutes had dimensions of 300 nm by 400 nm with a thickness of 50 nm and were capped with the insulating oleylamine synthesis ligand. The oleylamine synthesis ligand provides control over nanocrystal growth but is detrimental to intercrystal charge transport that is necessary for optoelectronic device applications. Solid-state and solution phase ligand exchange of oleylamine with S2- were used to fabricate mesoporous films of CuSbS2 nanoplates for application in solar cells. Exchange of the synthesis ligand with S2- resulted in a two order of magnitude increase in 4-point probe conductivity. Photoexcited carrier lifetimes of 1.4 ns were measured by time-resolved terahertz spectroscopy, indicating potential for CuSbS2 as a solar cell absorber material.

Investigating molecule-semiconductor interfaces with nonlinear spectroscopies

NASA Astrophysics Data System (ADS)

Giokas, Paul George

Knowledge of electronic structures and transport mechanisms at molecule-semiconductor interfaces is motivated by their ubiquity in photoelectrochemical cells. In this dissertation, optical spectroscopies are used uncover the influence of electronic coupling, coherent vibrational motion, and molecular geometry, and other factors on dynamics initiated by light absorption at such interfaces. These are explored for a family of ruthenium bipyridyl chromophores bound to titanium dioxide. Transient absorption measurements show molecular singlet state electron injection in 100 fs or less. Resonance Raman intensity analysis suggests the electronic excitations possess very little charge transfer character. The connections drawn in this work between molecular structure and photophysical behavior contribute to the general understanding of photoelectrochemical cells. Knowledge of binding geometry in nanocrystalline films is challenged by heterogeneity of semiconductor surfaces. Polarized resonance Raman spectroscopy is used to characterize the ruthenium chromophore family on single crystal titanium dioxide . Chromophores display a broad distribution of molecular geometries at the interface, with increased variation in binding angle due to the presence of a methylene bridge, as well as additional phosphonate anchors. This result implies multiple binding configurations for chromophores which incorporate multiple phosphonate ligands, and indicates the need for careful consideration when developing surface-assembled chromophore-catalyst cells. Electron transfer transitions occurring on the 100 fs time scale challenge conventional second-order approximations made when modeling these reactions. A fourth-order perturbative model which includes the relationship between coincident electron transfer and nuclear relaxation processes is presented. Insights provided by the model are illustrated for a two-level donor molecule. The presented fourth-order rate formula constitutes a rigorous and intuitive framework for understanding sub-picosecond photoinduced electron transfer dynamics. Charge transfer systems fit by this model include catechol-sensitized titanium dioxide nanoparticles and a closely-related molecular complex. These systems exhibit vibrational coherence coincident with back-electron transfer in the first picosecond after excitation, which suggests that intramolecular nuclear motion strongly influences the electronic transfer process and plays an important role in the dynamics of interfacial systems following light absorption.

Picosecond absorption spectroscopy of self-trapped excitons and transient Ce states in LaBr3 and LaBr3:Ce

NASA Astrophysics Data System (ADS)

Li, Peiyun; Gridin, Sergii; Ucer, K. Burak; Williams, Richard T.; Menge, Peter R.

2018-04-01

Picosecond time-resolved optical absorption spectra induced by two-photon interband excitation of LaBr3 are reported. The spectra are similar in general characteristics to self-trapped exciton (STE) absorption previously measured in alkali halides and alkaline-earth halides. A broad ultraviolet absorption band results from excitation of the self-trapped hole within the STE. A series of infrared and red-visible bands results from excitation of the bound outer electron within the STE similar to bands found in alkali halides corresponding to different degrees of "off-center" relaxation. Induced absorption in cerium-doped LaBr3 after band-gap excitation of the host exhibits similar STE spectra, except it decays faster on the tens-of-picoseconds scale in proportion to the Ce concentration. This is attributed to dipole-dipole energy transfer from STE to Ce3 + dopant ions. The absorption spectra were also measured after direct excitation of the Ce3 + ions with sufficient intensity to drive two- and three-photon resonantly enhanced excitation. In this case, the spectrum attributed to STEs created adjacent to Ce3 + ions decays in 1 ps suggesting dipole-dipole transfer from the nearest-neighbor separation. A transient absorption band at 2.1 eV growing with Ce concentration is found and attributed to a charge-transfer excitation of the Ce3 +* excited state responsible for scintillation in LaBr3:Ce crystals. This study concludes that the energy transport from host to activator responsible for the scintillation of LaBr3:Ce proceeds by STE creation and dipole-dipole transfer more than by sequential trapping of holes and electrons on Ce3 + ions.

Computational study of hot electron generation and energy transport in intense laser produced hot dense matter

NASA Astrophysics Data System (ADS)

Mishra, Rohini

Present ultra high power lasers are capable of producing high energy density (HED) plasmas, in controlled way, with a density greater than solid density and at a high temperature of keV (1 keV ˜ 11,000,000° K). Matter in such extreme states is particularly interesting for (HED) physics such as laboratory studies of planetary and stellar astrophysics, laser fusion research, pulsed neutron source etc. To date however, the physics in HED plasma, especially, the energy transport, which is crucial to realize applications, has not been understood well. Intense laser produced plasmas are complex systems involving two widely distinct temperature distributions and are difficult to model by a single approach. Both kinetic and collisional process are equally important to understand an entire process of laser-solid interaction. By implementing atomic physics models, such as collision, ionization, and radiation damping, self consistently, in state-of-the-art particle-in-cell code (PICLS) has enabled to explore the physics involved in the HED plasmas. Laser absorption, hot electron transport, and isochoric heating physics in laser produced hot dense plasmas are studied with a help of PICLS simulations. In particular, a novel mode of electron acceleration, namely DC-ponderomotive acceleration, is identified in the super intense laser regime which plays an important role in the coupling of laser energy to a dense plasma. Geometric effects on hot electron transport and target heating processes are examined in the reduced mass target experiments. Further, pertinent to fast ignition, laser accelerated fast electron divergence and transport in the experiments using warm dense matter (low temperature plasma) is characterized and explained.

Processing of fullerene-single wall carbon nanotube complex for bulk heterojunction photovoltaic cells

NASA Astrophysics Data System (ADS)

Li, Cheng; Mitra, Somenath

2007-12-01

A fullerene-single wall carbon nanotube (C60-SWCNT) complex is used as a component of the photoactive layer in bulk heterojunction photovoltaic cells. This complex synthesized by microwave-assisted reaction takes advantage of the electron accepting feature of C60 and the high electron transport capability of SWCNTs. In this paper, quantum efficiency enhancement by increasing light absorption and by bringing about appropriate morphological rearrangements via solvent vapor treatment and thermal annealing is presented. The optimum combination of these steps led to an increase in efficiency by as much as 87.5%.

Electronic Structure, Optical and Transport Properties of Double Perovskite La2NbMnO6: A Theoretical Understanding from DFT Calculations

NASA Astrophysics Data System (ADS)

Parrey, Khursheed Ahmad; Khandy, Shakeel Ahmad; Islam, Ishtihadah; Laref, Amel; Gupta, Dinesh C.; Niazi, Asad; Aziz, Anver; Ansari, S. G.; Khenata, R.; Rubab, Seemin

2018-03-01

Double perovskite La2NbMnO6 was systematically studied using the first-principles calculations. The structural, electronic, optical and transport properties of this compound were calculated. Spin resolved band structure predicted this material as a half-metal with an energy gap of 3.75 eV in spin down state. The optical coefficients including optical conductivity, reflectivity and electron energy loss are calculated for photon energy up to 30.00 eV to understand the optical response of this perovskite. The strong absorption of all the ultraviolet and infrared frequencies of the spectrum by this material may suggest the potential application of this material for the optoelectronic devices in ultraviolet and infra-red region. Also, the thermoelectric properties with a speculation from the half-metallic electronic structure are reported. Subsequently, the Seebeck coefficient, electrical and thermal conductivity coefficients are calculated to predict the thermoelectric figure of merit (zT), the maximum of which is found out to be 0.14 at 800 K.

Return current instability driven by a temperature gradient in ICF plasmas

DOE PAGES

Rozmus, W.; Brantov, A. V.; Sherlock, M.; ...

2017-10-12

Here, hot plasmas with strong temperature gradients in inertial confinement fusion (ICF) experiments are examined for ion acoustic instabilities produced by electron heat flow. The return current instability (RCI) due to a neutralizing current of cold electrons arising in response to a large electron heat flux has been considered. First, the linear threshold and growth rates are derived in the nonlocal regime of thermal transport. They are compared with the results of Vlasov-Fokker-Planck (VFP) simulations in one spatial dimension. Very good agreement has been found between kinetic VFP simulations and the linear theory of the RCI. A quasi-stationary state ofmore » ion acoustic turbulence produced by the RCI is achieved in the VFP simulations. Saturation of the RCI involves heating of ions in the tail of the ion distribution function and convection of the enhanced ion acoustic fluctuations from the unstable region of the plasma. Further evolution of the ion acoustic turbulence and its effects on absorption and transport are also discussed.« less

Return current instability driven by a temperature gradient in ICF plasmas

NASA Astrophysics Data System (ADS)

Rozmus, W.; Brantov, A. V.; Sherlock, M.; Bychenkov, V. Yu

2018-01-01

Hot plasmas with strong temperature gradients in inertial confinement fusion experiments are examined for ion acoustic instabilities produced by electron heat flow. The return current instability (RCI) due to a neutralizing current of cold electrons arising in response to a large electron heat flux has been considered. First, the linear threshold and growth rates are derived in the non-local regime of thermal transport. They are compared with the results of Vlasov-Fokker-Planck (VFP) simulations in one spatial dimension. Very good agreement has been found between kinetic VFP simulations and the linear theory of the RCI. A quasi-stationary state of ion acoustic turbulence (IAT) produced by the RCI is achieved in the VFP simulations. Saturation of the RCI involves heating of ions in the tail of the ion distribution function and convection of the enhanced ion acoustic fluctuations from the unstable region of the plasma. Further evolution of the IAT and its effects on absorption and transport are also discussed.

The effects of CO₂ addition along a pH gradient on wastewater microalgal photo-physiology, biomass production and nutrient removal.

PubMed

Sutherland, Donna L; Howard-Williams, Clive; Turnbull, Matthew H; Broady, Paul A; Craggs, Rupert J

2015-03-01

Carbon limitation in domestic wastewater high rate algal ponds is thought to constrain microalgal photo-physiology and productivity, particularly in summer. This paper investigates the effects of CO₂ addition along a pH gradient on the performance of wastewater microalgae in high rate algal mesocosms. Performance was measured in terms of light absorption, electron transport rate, photosynthetic efficiency, biomass production and nutrient removal efficiency. Light absorption by the microalgae increased by up to 128% with increasing CO₂ supply, while a reduction in the package effect meant that there was less internal self-shading thereby increasing the efficiency of light absorption. CO₂ augmentation increased the maximum rate of both electron transport and photosynthesis by up to 256%. This led to increased biomass, with the highest yield occurring at the highest dissolved inorganic carbon/lowest pH combination tested (pH 6.5), with a doubling of chlorophyll-a (Chl-a) biomass while total microalgal biovolume increased by 660% in Micractinium bornhemiense and by 260% in Pediastrum boryanum dominated cultures. Increased microalgal biomass did not off-set the reduction in ammonia volatilisation in the control and overall nutrient removal was lower with CO₂ than without. Microalgal nutrient removal efficiency decreased as pH decreased and may have been related to decreased Chl-a per cell. This experiment demonstrated that CO₂ augmentation increased microalgal biomass in two distinct communities, however, care must be taken when interpreting results from standard biomass measurements with respect to CO₂ augmentation. Copyright © 2014 Elsevier Ltd. All rights reserved.

Ultrafast dynamics in multifunctional Ru(II)-loaded polymers for solar energy conversion.

PubMed

Morseth, Zachary A; Wang, Li; Puodziukynaite, Egle; Leem, Gyu; Gilligan, Alexander T; Meyer, Thomas J; Schanze, Kirk S; Reynolds, John R; Papanikolas, John M

2015-03-17

The use of sunlight to make chemical fuels (i.e., solar fuels) is an attractive approach in the quest to develop sustainable energy sources. Using nature as a guide, assemblies for artificial photosynthesis will need to perform multiple functions. They will need to be able to harvest light across a broad region of the solar spectrum, transport excited-state energy to charge-separation sites, and then transport and store redox equivalents for use in the catalytic reactions that produce chemical fuels. This multifunctional behavior will require the assimilation of multiple components into a single macromolecular system. A wide variety of different architectures including porphyrin arrays, peptides, dendrimers, and polymers have been explored, with each design posing unique challenges. Polymer assemblies are attractive due to their relative ease of production and facile synthetic modification. However, their disordered nature gives rise to stochastic dynamics not present in more ordered assemblies. The rational design of assemblies requires a detailed understanding of the energy and electron transfer events that follow light absorption, which can occur on time scales ranging from femtoseconds to hundreds of microseconds, necessitating the use of sophisticated techniques. We have used a combination of time-resolved absorption and emission spectroscopies with observation times that span 9 orders of magnitude to follow the excited-state evolution within polymer-based molecular assemblies. We complement experimental observations with molecular dynamics simulations to develop a microscopic view of these dynamics. This Account provides an overview of our work on polymers decorated with pendant Ru(II) chromophores, both in solution and on surfaces. We have examined site-to-site energy transport among the Ru(II) complexes, and in systems incorporating π-conjugated polymers, we have observed ultrafast formation of a long-lived charge-separated state. When attached to TiO2, these assemblies exhibit multifunctional behavior in which photon absorption is followed by energy transport to the surface and electron injection to produce an oxidized metal complex. The oxidizing equivalent is then transferred to the conjugated polymer, giving rise to a long-lived charge-separated state.

Ce Core-Level Spectroscopy, and Magnetic and Electrical Transport Properties of Lightly Ce-Doped YCoO3

NASA Astrophysics Data System (ADS)

Kobayashi, Yoshihiko; Koike, Tsuyoshi; Okawa, Mario; Takayanagi, Ryohei; Takei, Shohei; Minohara, Makoto; Kobayashi, Masaki; Horiba, Koji; Kumigashira, Hiroshi; Yasui, Akira; Ikenaga, Eiji; Saitoh, Tomohiko; Asai, Kichizo

2016-11-01

We have investigated the Ce and Co core level spectroscopy, and the magnetic and electrical transport properties of lightly Ce-doped YCoO3. We have successfully synthesized single-phase Y1-xCexCoO3 for 0.0 ≤ x ≤ 0.1 by the sol-gel method. Hard X-ray photoelectron and X-ray absorption spectroscopy experiments reveal that the introduced Ce ions are tetravalent, which is considered to be the first case of electron doping into bulk trivalent Co oxides with perovskite RECoO3 (RE: rare-earth element or Y) caused by RE site substitution. The magnitude of the effective magnetic moment peff obtained from the temperature dependence of magnetic susceptibility χ(T) at higher temperatures is close to that for high-spin Co2+ introduced by the Ce doping, implying that the electrons doped into the Co site induce Co2+ with a high-spin state. For x = 0.1, ferromagnetic ordering is observed below about 7 K. Electrical transport properties such as resistivity and thermoelectric power show that negative electron-like carriers are introduced by Ce substitution.

[1]Benzothieno[3,2-b]benzothiophene-Based Organic Dyes for Dye-Sensitized Solar Cells.

PubMed

Capodilupo, Agostina L; Fabiano, Eduardo; De Marco, Luisa; Ciccarella, Giuseppe; Gigli, Giuseppe; Martinelli, Carmela; Cardone, Antonio

2016-04-15

Three new metal-free organic dyes with the [1]benzothieno[3,2-b]benzothiophene (BTBT) π-bridge, having the structure donor-π-acceptor (D-π-A) and labeled as 19, 20 and 21, have been designed and synthesized for application in dye-sensitized solar cells (DSSC). Once the design of the π-acceptor block was fixed, containing the BTBT as the π-bridge and the cyanoacrylic group as the electron acceptor and anchoring unit, we selected three donor units with different electron-donor capacity, in order to assemble new chromophores with high molar extinction coefficients (ε), whose absorption features well reflect the good performance of the final DSSC devices. Starting with the 19 dye, which shows a molar extinction coefficient ε of over 14,000 M(-1) cm(-1) and takes into account the absorption maximun at the longer wavelength, the substitution of the BFT donor unit with the BFA yields a great enhancement of absorptivity (molar extinction coefficient ε > 42,000 M(-1) cm(-1)), until reaching the higher value (ε > 69,000 M(-1) cm(-1)) with the BFPhz donor unit. The good general photovoltaic performances obtained with the three dyes highlight the suitable properties of electron-transport of the BTBT as the π-bridge in organic chromophore for DSSC, making this very cheap and easy to synthesize molecule particularly attractive for efficient and low-cost photovoltaic devices.

Isothermal transport properties and majority-type defects of BaCo(0.70)Fe(0.22)Nb(0.08)O(3-δ).

PubMed

Lee, Taewon; Cho, Deok-Yong; Kwon, Hyung-Soon; Yoo, Han-Ill

2015-01-28

(Ba,Sr)(Co,Fe)O3-δ based mixed conducting oxides, e.g. (Ba0.5Sr0.5)(Co1-xFex)O3-δ and Ba(Co0.7Fe0.3-xNbx)O3-δ, are promising candidates for oxygen permeable membranes and SOFC cathodes due to their excellent ambipolar conductivities. Despite these excellent properties, however, their mass/charge transport properties have not been fully characterized and hence, their defect structure has not been clearly elucidated. Until now, the majority types of ionic and electronic defects have been regarded as oxygen vacancies and localized holes. Holes, whether localized or not, are acceptable as majority electronic carriers on the basis of the as-measured total conductivity, which is essentially electronic, and electronic thermopower. On the other hand, the proposal of oxygen vacancies as majority ionic carriers lacks solid evidence. In this work, we document all the isothermal transport properties of Ba(Co0.70Fe0.22Nb0.08)O3-δ in terms of a 2 × 2 Onsager transport coefficient matrix and its steady-state electronic thermopower against oxygen activity at elevated temperatures, and determine the valences of Co and Fe via soft X-ray absorption spectroscopy. It turns out that the ionic and electronic defects in majority should be oxygen interstitials and at least two kinds of holes, one free and the other trapped. Furthermore, the lattice molecule should be Ba(Co0.7Fe0.3-xNbx)O2+δ, not Ba(Co0.7Fe0.3-xNbx)O3-δ, to be consistent with all the results observed.

Three-dimensional hot electron photovoltaic device with vertically aligned TiO2 nanotubes.

PubMed

Goddeti, Kalyan C; Lee, Changhwan; Lee, Young Keun; Park, Jeong Young

2018-05-09

Titanium dioxide (TiO 2 ) nanotubes with vertically aligned array structures show substantial advantages in solar cells as an electron transport material that offers a large surface area where charges travel linearly along the nanotubes. Integrating this one-dimensional semiconductor material with plasmonic metals to create a three-dimensional plasmonic nanodiode can influence solar energy conversion by utilizing the generated hot electrons. Here, we devised plasmonic Au/TiO 2 and Ag/TiO 2 nanodiode architectures composed of TiO 2 nanotube arrays for enhanced photon absorption, and for the subsequent generation and capture of hot carriers. The photocurrents and incident photon to current conversion efficiencies (IPCE) were obtained as a function of photon energy for hot electron detection. We observed enhanced photocurrents and IPCE using the Ag/TiO 2 nanodiode. The strong plasmonic peaks of the Au and Ag from the IPCE clearly indicate an enhancement of the hot electron flux resulting from the presence of surface plasmons. The calculated electric fields and the corresponding absorbances of the nanodiode using finite-difference time-domain simulation methods are also in good agreement with the experimental results. These results show a unique strategy of combining a hot electron photovoltaic device with a three-dimensional architecture, which has the clear advantages of maximizing light absorption and a metal-semiconductor interface area.

A photovoltaic device structure based on internal electron emission.

PubMed

McFarland, Eric W; Tang, Jing

2003-02-06

There has been an active search for cost-effective photovoltaic devices since the development of the first solar cells in the 1950s (refs 1-3). In conventional solid-state solar cells, electron-hole pairs are created by light absorption in a semiconductor, with charge separation and collection accomplished under the influence of electric fields within the semiconductor. Here we report a multilayer photovoltaic device structure in which photon absorption instead occurs in photoreceptors deposited on the surface of an ultrathin metal-semiconductor junction Schottky diode. Photoexcited electrons are transferred to the metal and travel ballistically to--and over--the Schottky barrier, so providing the photocurrent output. Low-energy (approximately 1 eV) electrons have surprisingly long ballistic path lengths in noble metals, allowing a large fraction of the electrons to be collected. Unlike conventional cells, the semiconductor in this device serves only for majority charge transport and separation. Devices fabricated using a fluorescein photoreceptor on an Au/TiO2/Ti multilayer structure had typical open-circuit photovoltages of 600-800 mV and short-circuit photocurrents of 10-18 micro A cm(-2) under 100 mW cm(-2) visible band illumination: the internal quantum efficiency (electrons measured per photon absorbed) was 10 per cent. This alternative approach to photovoltaic energy conversion might provide the basis for durable low-cost solar cells using a variety of materials.

Theoretical study on electronic structure of bathocuproine: Renormalization of the band gap in the crystalline state and the large exciton binding energy

NASA Astrophysics Data System (ADS)

Yanagisawa, Susumu; Hatada, Shin-No-Suke; Morikawa, Yoshitada

Bathocuproine (BCP) is a promising organic material of a hole blocking layer in organic light-emitting diodes or an electron buffer layer in organic photovoltaic cells. The nature of the unoccupied electronic states is a key characteristic of the material, which play vital roles in the electron transport. To elucidate the electronic properties of the molecular or crystalline BCP, we use the GW approximation for calculation of the fundamental gap, and the long-range corrected density functional theory for the molecular optical absorption. It is found that the band gap of the BCP single crystal is 4.39 eV, and it is in agreement with the recent low-energy inverse photoemission spectroscopy measurement. The polarization energy is estimated to be larger than 1 eV, demonstrating the large polarization effects induced by the electronic clouds surrounding the injected charge. The theoretical optical absorption energy is 3.68 eV, and the exciton binding energy is estimated to be 0.71 eV, implying the large binding in the eletron-hole pair distributed around the small part of the molecular region. This work was supported by the Grants-in-Aid for Young Scientists (B) (No. 26810009), and for Scientific Research on Innovative Areas ``3D Active-Site Science'' (No. 26105011) from Japan Society for the Promotion of Science.

X-ray analysis of electron Bernstein wave heating in MST

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seltzman, A. H., E-mail: seltzman@wisc.edu; Anderson, J. K.; DuBois, A. M.

2016-11-15

A pulse height analyzing x-ray tomography system has been developed to detect x-rays from electron Bernstein wave heated electrons in the Madison symmetric torus reversed field pinch (RFP). Cadmium zinc telluride detectors are arranged in a parallel beam array with two orthogonal multi-chord detectors that may be used for tomography. In addition a repositionable 16 channel fan beam camera with a 55° field of view is used to augment data collected with the Hard X-ray array. The chord integrated signals identify target emission from RF heated electrons striking a limiter located 12° toroidally away from the RF injection port. Thismore » provides information on heated electron spectrum, transport, and diffusion. RF induced x-ray emission from absorption on harmonic electron cyclotron resonances in low current (<250 kA) RFP discharges has been observed.« less

On the Acceleration and Transport of Electrons Generated by Intense Laser-Plasma Interactions at Sharp Interfaces

NASA Astrophysics Data System (ADS)

May, Joshua Joseph

The continued development of the chirped pulse amplification technique has allowed for the development of lasers with powers of in excess of 10 15W, for pulse lengths with durations of between .01 and 10 picoseconds, and which can be focused to energy densities greater than 100 giga-atmospheres. When such lasers are focused onto material targets, the possibility of creating particle beams with energy fluxes of comparable parameters arises. Such interactions have a number of theorized applications. For instance, in the Fast Ignition concept for Inertial Confinement Fusion [1], a high-intensity laser efficiently transfers its energy into an electron beam with an appropriate spectra which is then transported into a compressed target and initiate a fusion reaction. Another possible use is the so called Radiation Pressure Acceleration mechanism, in which a high-intensity, circularly polarized laser is used to create a mono-energetic ion beam which could then be used for medical imaging and treatment, among other applications. For this latter application, it is important that the laser energy is transferred to the ions and not to the electrons. However the physics of such high energy-density laser-matter interactions is highly kinetic and non-linear, and presently not fully understood. In this dissertation, we use the Particle-in-Cell code OSIRIS [2, 3] to explore the generation and transport of relativistic particle beams created by high intensity lasers focused onto solid density matter at normal incidence. To explore the generation of relativistic electrons by such interactions, we use primarily one-dimensional (1D) and two-dimensional (2D), and a few three-dimensional simulations (3D). We initially examine the idealized case of normal incidence of relatively short, plane-wave lasers on flat, sharp interfaces. We find that in 1D the results are highly dependent on the initial temperature of the plasma, with significant absorption into relativistic electrons only possible when the temperature is high in the direction parallel to the electric field of the laser. In multi-dimensions, absorption into relativistic electrons arises independent of the initial temperature for both fixed and mobile ions, although the absorption is higher for mobile ions. In most cases however, absorption remains at 100s of percent, and as such a standing wave structure from the incoming and reflected wave is setup in front of the plasma surface. The peak momentum of the accelerated electrons is found to be 2 a0mec, where a 0 = eA0/mec 2 is the normalized vector potential of the laser in vacuum, e is the electron charge, me is the electron mass, and c is the speed of light. We consider cases for which a0 > 1. We therefore call this the 2 a0 acceleration process. Using particle tracking, we identify the detailed physics behind the 2a0 process and find it is related to the standing wave structure of the fields. We observe that the particles which gain energy do so by interacting with the laser electric field within a quarter wavelength of the surface where it is at an anti-node (it is a node at the surface). We find that only particles with high initial momentum - in particular high transverse momentum - are able to navigate through the laser magnetic field as its magnitude decreases in time each half laser cycle (it is an anti-node at the surface) to penetrate a quarter wavelength into the vacuum where the laser electric field is large. For a circularly polarized laser the magnetic field amplitude never decreases at the surface, instead its direction simply rotates. This prevents electrons from leaving the plasma and they therefore cannot gain energy from the electric field. (Abstract shortened by ProQuest.).

2nd-order optical model of the isotopic dependence of heavy ion absorption cross sections for radiation transport studies

NASA Astrophysics Data System (ADS)

Cucinotta, Francis A.; Yan, Congchong; Saganti, Premkumar B.

2018-01-01

Heavy ion absorption cross sections play an important role in radiation transport codes used in risk assessment and for shielding studies of galactic cosmic ray (GCR) exposures. Due to the GCR primary nuclei composition and nuclear fragmentation leading to secondary nuclei heavy ions of charge number, Z with 3 ≤ Z ≥ 28 and mass numbers, A with 6 ≤ A ≥ 60 representing about 190 isotopes occur in GCR transport calculations. In this report we describe methods for developing a data-base of isotopic dependent heavy ion absorption cross sections for interactions. Calculations of a 2nd-order optical model solution to coupled-channel solutions to the Eikonal form of the nucleus-nucleus scattering amplitude are compared to 1st-order optical model solutions. The 2nd-order model takes into account two-body correlations in the projectile and target ground-states, which are ignored in the 1st-order optical model. Parameter free predictions are described using one-body and two-body ground state form factors for the isotopes considered and the free nucleon-nucleon scattering amplitude. Root mean square (RMS) matter radii for protons and neutrons are taken from electron and muon scattering data and nuclear structure models. We report on extensive comparisons to experimental data for energy-dependent absorption cross sections for over 100 isotopes of elements from Li to Fe interacting with carbon and aluminum targets. Agreement between model and experiments are generally within 10% for the 1st-order optical model and improved to less than 5% in the 2nd-order optical model in the majority of comparisons. Overall the 2nd-order optical model leads to a reduction in absorption compared to the 1st-order optical model for heavy ion interactions, which influences estimates of nuclear matter radii.

Graphene Plasmonics for Tunable Terahertz Metamaterials

DTIC Science & Technology

2011-10-01

anomalous quantumHall effect15,16 andKlein tunnelling17,18 in electrical transport to a universal absorption constant19,20 and tunable interband ...electron scattering spectroscopy25,26 and inelastic scanning tunnelling microscopy27. However, the fundamental behaviour of light–plasmon coupling in...ribbon arrays. Here TCNP is the transmission coefficient at CNP and DT¼ T2 TCNP. The 2DT/TCNP spectra of a gated 4 mm sample (Vg¼22.0 V) for terahertz

Impact of the electron-transport layer on the performance of solution-processed small-molecule organic solar cells.

PubMed

Long, Guankui; Wan, Xiangjian; Kan, Bin; Hu, Zhicheng; Yang, Xuan; Zhang, Yi; Zhang, Mingtao; Wu, Hongbing; Huang, Fei; Su, Shijian; Cao, Yong; Chen, Yongsheng

2014-08-01

Although the performance of polymer solar cells has been improved significantly recently through careful optimization with different interlayers for the same materials, more improvement is needed in this respect for small-molecule-based solar cells, particularly for the electron-transport layers (ETLs). In this work, three different solution-processed ETLs, PFN, ZnO nanoparticles, and LiF, were investigated and compared in the performance of small-molecule-based devices, and power conversion efficiencies (PCEs) of 8.32, 7.30, and 7.38% were achieved, respectively. The mechanism for the ETL-induced enhancement has been studied, and different ETLs have a significantly different impact on the device performance. The clearly improved performance of PFN is attributed to the combination of reduced bimolecular recombination and increased effective photon absorption in the active layer. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Physical properties and electronic structure of a new barium titanate suboxide Ba 1+δTi 13-δO₁₂ (δ = 0.11)

DOE PAGES

Rotundu, Costel R.; Jiang, Shan; Deng, Xiaoyu; ...

2015-04-01

The structure, transport, thermodynamic properties, x-ray absorption spectra (XAS), and electronic structure of a new barium titanate suboxide, Ba 1+δTi 13-δO₁₂ (δ = 0.11), are reported. It is a paramagnetic poor metal with hole carriers dominating the transport. Fermi liquid behavior appears at low temperature. The oxidization state of Ti obtained by the XAS is consistent with the metallic Ti²⁺ state. Local density approximation band structure calculations reveal the material is near the Van Hove singularity. The pseudogap behavior in the Ti-d band and the strong hybridization between the Ti-d and O-p orbitals reflect the characteristics of the building blocksmore » of the Ti₁₃ semi-cluster and the TiO₄ quasi-squares, respectively.« less

The Effect of the Electron Tunneling on the Photoelectric Hot Electrons Generation in Metallic-Semiconductor Nanostructures

NASA Astrophysics Data System (ADS)

Elsharif, Asma M.

2018-01-01

Semiconductor photonic crystals (MSPhC) were used to convert solar energy into hot electrons. An experimental model was designed by using metallic semiconductor photonic crystals (MSPhC). The designed MSPhC is based on TiO2/Au schottky contact. The model has similar nanocavity structure for broad gold absorption, but the materials on top of the cavity were changed to a metal and a semiconductor in order to collect the hot electrons. Detailed design steps and characterization have shown a broadband sub-bandgap photoresponse at a wavelength of 590 nm. This is due to the surface plasmon absorption by the wafer-scale Au/TiO2 metallic-semiconductor photonic crystal. Analytical calculation of the hot electron transport from the Au thin layer to the TiO2 conduction band is discussed. This theoretical study is based on the quantum tunneling effect. The photo generation of the hot electrons was undertaken at different wavelengths in Au absorber followed by tunneling through a schottky barrier into a TiO2 collector. The presence of a tunnel current from the absorber to the collector under illumination, offers a method to extract carriers from a hot-electron distribution at few bias voltages is presented in this study. The effects of doping different concentrations of the semiconductor on the evolution of the current characteristics were also investigated and discussed. The electrical characteristics were found to be sensitive to any change in the thickness of the barrier.

Finite temperature effects on the X-ray absorption spectra of energy related materials

NASA Astrophysics Data System (ADS)

Pascal, Tod; Prendergast, David

2014-03-01

We elucidate the role of room-temperature-induced instantaneous structural distortions in the Li K-edge X-ray absorption spectra (XAS) of crystalline LiF, Li2SO4, Li2O, Li3N and Li2CO3 using high resolution X-ray Raman spectroscopy (XRS) measurements and first-principles density functional theory calculations within the eXcited electron and Core Hole (XCH) approach. Based on thermodynamic sampling via ab-initio molecular dynamics (MD) simulations, we find calculated XAS in much better agreement with experiment than those computed using the rigid crystal structure alone. We show that local instantaneous distortion of the atomic lattice perturbs the symmetry of the Li 1 s core-excited-state electronic structure, broadening spectral line-shapes and, in some cases, producing additional spectral features. This work was conducted within the Batteries for Advanced Transportation Technologies (BATT) Program, supported by the U.S. Department of Energy Vehicle Technologies Program under Contract No. DE-AC02-05CH11231.

HZETRN: Description of a free-space ion and nucleon transport and shielding computer program

NASA Technical Reports Server (NTRS)

Wilson, John W.; Badavi, Francis F.; Cucinotta, Francis A.; Shinn, Judy L.; Badhwar, Gautam D.; Silberberg, R.; Tsao, C. H.; Townsend, Lawrence W.; Tripathi, Ram K.

1995-01-01

The high-charge-and energy (HZE) transport computer program HZETRN is developed to address the problems of free-space radiation transport and shielding. The HZETRN program is intended specifically for the design engineer who is interested in obtaining fast and accurate dosimetric information for the design and construction of space modules and devices. The program is based on a one-dimensional space-marching formulation of the Boltzmann transport equation with a straight-ahead approximation. The effect of the long-range Coulomb force and electron interaction is treated as a continuous slowing-down process. Atomic (electronic) stopping power coefficients with energies above a few A MeV are calculated by using Bethe's theory including Bragg's rule, Ziegler's shell corrections, and effective charge. Nuclear absorption cross sections are obtained from fits to quantum calculations and total cross sections are obtained with a Ramsauer formalism. Nuclear fragmentation cross sections are calculated with a semiempirical abrasion-ablation fragmentation model. The relation of the final computer code to the Boltzmann equation is discussed in the context of simplifying assumptions. A detailed description of the flow of the computer code, input requirements, sample output, and compatibility requirements for non-VAX platforms are provided.

Investigation of nanoparticulate silicon as printed layers using scanning electron microscopy, transmission electron microscopy, X-ray absorption spectroscopy and X-ray photoelectron spectroscopy

DOE PAGES

Unuigbe, David M.; Harting, Margit; Jonah, Emmanuel O.; ...

2017-08-21

The presence of native oxide on the surface of silicon nanoparticles is known to inhibit charge transport on the surfaces. Scanning electron microscopy (SEM) studies reveal that the particles in the printed silicon network have a wide range of sizes and shapes. High-resolution transmission electron microscopy reveals that the particle surfaces have mainly the (111)- and (100)-oriented planes which stabilizes against further oxidation of the particles. X-ray absorption spectroscopy (XANES) and X-ray photoelectron spectroscopy (XPS) measurements at the O 1s-edge have been utilized to study the oxidation and local atomic structure of printed layers of silicon nanoparticles which were milledmore » for different times. XANES results reveal the presence of the +4 (SiO 2) oxidation state which tends towards the +2 (SiO) state for higher milling times. Si 2pXPS results indicate that the surfaces of the silicon nanoparticles in the printed layers are only partially oxidized and that all three sub-oxide, +1 (Si 2O), +2 (SiO) and +3 (Si 2O 3), states are present. The analysis of the change in the sub-oxide peaks of the silicon nanoparticles shows the dominance of the +4 state only for lower milling times.« less

Hole transporting material 5, 10, 15-tribenzyl-5H-diindolo[3, 2-a:3‧, 2‧-c]-carbazole for efficient optoelectronic applications as an active layer

NASA Astrophysics Data System (ADS)

Zheng, Yan-Qiong; J. Potscavage, William, Jr.; Zhang, Jian-Hua; Wei, Bin; Huang, Rong-Juan

2015-02-01

In order to explore the novel application of the transparent hole-transporting material 5,10,15-tribenzyl-5H-diindolo[3,2-a:3‧,2‧-c]-carbazole (TBDI), in this article TBDI is used as an active layer but not a buffer layer in a photodetector (PD), organic light-emitting diode (OLED), and organic photovoltaic cell (OPV) for the first time. Firstly, the absorption and emission spectra of a blend layer comprised of TBDI and electron-transporting material bis-(2-methyl-8-quinolinate) 4-phenylphenolate (BAlq) are investigated. Based on the absorption properties, an organic PD with a peak absorption at 320 nm is fabricated, and a relatively-high detectivity of 2.44 × 1011 cm·Hz1/2/W under 320-nm illumination is obtained. The TBDI/tris (8-hydroxyquinoline) aluminum (Alq3) OLED device exhibits a comparable external quantum efficiency and current efficiency to a traditional 4, 4-bis[N-(1-naphthyl)-N-phenyl-amino]biphenyl (α-NPD)/Alq3 OLED. A C70-based Schottky junction with 5 wt%-TBDI yields a power conversion efficiency of 5.0%, which is much higher than 1.7% for an α-NPD-based junction in the same configuration. These results suggest that TBDI has some promising properties which are in favor of the hole-transporting in Schottky junctions with a low-concentration donor. Project supported by the Funding Program for World-Leading Innovative R & D on Science and Technology (FIRST) from JSPS, the Fund from the Science and Technology Commission of Shanghai Municipality, China (Grant Nos. 14DZ2280900 and 14XD1401800), and the Natural Science Foundation of Shanghai (Grant No. 15ZR1416600).

Intestinal Lymphatic Transport: an Overlooked Pathway for Understanding Absorption of Plant Secondary Compounds in Vertebrate Herbivores.

PubMed

Kohl, Kevin D; Dearing, M Denise

2017-03-01

Herbivores employ numerous strategies to reduce their exposure to toxic plant secondary chemicals (PSCs). However, the physiological mechanisms of PSC absorption have not been extensively explored. In particular, the absorption of PSCs via intestinal lymphatic absorption has been largely overlooked in herbivores, even though this pathway is well recognized for pharmaceutical uptake. Here, we investigated for the first time whether PSCs might be absorbed by lymphatic transport. We fed woodrats (Neotoma albigula) diets with increasing concentrations of terpene-rich juniper (Juniperus monosperma) either with or without a compound that blocks intestinal lymphatic absorption (Pluronic L-81). Woodrats consuming diets that contained the intestinal lymphatic absorption blocker exhibited increased food intakes and maintained higher body masses on juniper diets. Our study represents the first demonstration that PSCs may be absorbed by intestinal lymphatic absorption. This absorption pathway has numerous implications for the metabolism and distribution of PSCs in the systemic circulation, given that compounds absorbed via lymphatic transport bypass first-pass hepatic metabolism. The area of lymphatic transport of PSCs represents an understudied physiological pathway in plant-herbivore interactions.

Solid state effects on the electronic structure of H2OEP.

PubMed

Marsili, M; Umari, P; Di Santo, G; Caputo, M; Panighel, M; Goldoni, A; Kumar, M; Pedio, M

2014-12-28

We present the results of a joint experimental and theoretical investigation concerning the effect of crystal packing on the electronic properties of the H2OEP molecule. Thin films, deposited in ultra high vacuum on metal surfaces, are investigated by combining valence band photoemission, inverse photoemission, and X-ray absorption spectroscopy. The spectra of the films are compared, when possible, with those measured in the gas phase. Once many-body effects are included in the calculations through the GW method, the electronic structure of H2OEP in the film and gas phase are accurately reproduced for both valence and conduction states. Upon going from an isolated molecule to the film phase, the electronic gap shrinks significantly and the lowest unoccupied molecular orbital (LUMO) and LUMO + 1 degeneracy is removed. The calculations show that the reduction of the transport gap in the film is entirely addressable to the enhancement of the electronic screening.

Enhanced performances of dye-sensitized solar cells based on Au-TiO2 and Ag-TiO2 plasmonic hybrid nanocomposites

NASA Astrophysics Data System (ADS)

Ran, Huili; Fan, Jiajie; Zhang, Xiaoli; Mao, Jing; Shao, Guosheng

2018-02-01

Novel double-layer films were prepared and applied to dye-sensitized solar cells (DSSCs) using commercial TiO2 nanoparticles as a bonding underlayer and noble metal (Au and Ag) nanoparticles (NP) and nanowires (NW) incorporated to hybrid TiO2 composites, consisting of 3 dimensional (3D) hierarchical microspheres, 3D hollow spheres, 2 dimensional (2D) nanosheets and commercial P25 nanoparticles, as multifunctional light scattering overlayer. The influence of Au NP, Ag NP, Au NW, and Ag NW on of microstructures of the film electrodes and the photovoltaic (PV) performances of DSSCs was investigated. The result revealed that the ranges and intensity of sunlight absorption, the photo capture ability for dye molecules of the hybrid nanocomposite film electrodes, and the photoelectric conversion efficiency (PCE) of the cells were all significantly enhanced due to the plasmonic effect of the noble metal nanostructures. All composite DSSCs with noble metal nanostructures have higher PCE than the pure TiO2 solar cell. This is attributed the improved electron transport of the noble metal nanostructures, and the improvement of light absorption because of their local surface plasmon resonance (LSPR) effect. Under optical conditions, a PCE of 5.74% was obtained in the TiO2-AgNW DSSC, representing a 25.3% enhancement compared to a reference solar cell based on pure TiO2 film (4.58%). The main reason of the advancement is the improved electron transport of AgNW, the light absorption enhancement on account of the LSPR effect of AgNW, and increased light scattering due to the incorporation of the large one dimensional AgNWs within the photo-anode.

Modeling quantum yield, emittance, and surface roughness effects from metallic photocathodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dimitrov, D. A.; Bell, G. I.; Smedley, J.

Here, detailed measurements of momentum distributions of emitted electrons have allowed the investigation of the thermal limit of the transverse emittance from metal photocathodes. Furthermore, recent developments in material design and growth have resulted in photocathodes that can deliver high quantum efficiency and are sufficiently robust to use in high electric field gradient photoinjectors and free electron lasers. The growth process usually produces photoemissive material layers with rough surface profiles that lead to transverse accelerating fields and possible work function variations, resulting in emittance growth. To better understand the effects of temperature, density of states, and surface roughness on themore » properties of emitted electrons, we have developed realistic three-dimensional models for photocathode materials with grated surface structures. They include general modeling of electron excitation due to photon absorption, charge transport, and emission from flat and rough metallic surfaces. The models also include image charge and field enhancement effects. We report results from simulations with flat and rough surfaces to investigate how electron scattering, controlled roughness, work function variation, and field enhancement affect emission properties. Comparison of simulation results with measurements of the quantum yield and transverse emittance from flat Sb emission surfaces shows the importance of including efficient modeling of photon absorption, temperature effects, and the material density of states to achieve agreement with the experimental data.« less

Modeling quantum yield, emittance, and surface roughness effects from metallic photocathodes

DOE PAGES

Dimitrov, D. A.; Bell, G. I.; Smedley, J.; ...

2017-10-26

Here, detailed measurements of momentum distributions of emitted electrons have allowed the investigation of the thermal limit of the transverse emittance from metal photocathodes. Furthermore, recent developments in material design and growth have resulted in photocathodes that can deliver high quantum efficiency and are sufficiently robust to use in high electric field gradient photoinjectors and free electron lasers. The growth process usually produces photoemissive material layers with rough surface profiles that lead to transverse accelerating fields and possible work function variations, resulting in emittance growth. To better understand the effects of temperature, density of states, and surface roughness on themore » properties of emitted electrons, we have developed realistic three-dimensional models for photocathode materials with grated surface structures. They include general modeling of electron excitation due to photon absorption, charge transport, and emission from flat and rough metallic surfaces. The models also include image charge and field enhancement effects. We report results from simulations with flat and rough surfaces to investigate how electron scattering, controlled roughness, work function variation, and field enhancement affect emission properties. Comparison of simulation results with measurements of the quantum yield and transverse emittance from flat Sb emission surfaces shows the importance of including efficient modeling of photon absorption, temperature effects, and the material density of states to achieve agreement with the experimental data.« less

Evidence of solar wind energy deposition into the ionosphere of Mars

NASA Technical Reports Server (NTRS)

Mantas, G. P.; Hanson, W. B.

1985-01-01

Suprathermal electron fluxes measured in the ionosphere of Mars by the retarding potential analyzer (RPA) on Viking lander 1 are presented and compared with the photoelectron flux that is produced by the absorption of the solar EUV. The calculation of the equilibrium photoelectron population on Mars is based on the multistream electron transport theory and a model neutral atmosphere and ionosphere that was actually observed by Viking lander 1. From the theoretical equilibrium photoelectron population, the expected RPA volt-ampere characteristic curves are computed and compared with those recorded by the instrument. The theoretical and the observed RPA currents below about 170 km are in agreement, confirming that the solar EUV is the main source of suprathermal electrons at these altitudes. Above about 170 km an additional source of suprathermal electrons is required to explain the observations.

Titanium Dioxide Nanoparticle-Biomolecule Interactions Influence Oral Absorption

PubMed Central

Jo, Mi-Rae; Yu, Jin; Kim, Hyoung-Jun; Song, Jae Ho; Kim, Kyoung-Min; Oh, Jae-Min; Choi, Soo-Jin

2016-01-01

Titanium dioxide (TiO2) nanoparticles (NPs) have been widely applied in various industrial fields, such as electronics, packaging, food, and cosmetics. Accordingly, concerns about the potential toxicity of TiO2 NPs have increased. In order to comprehend their in vivo behavior and potential toxicity, we must evaluate the interactions between TiO2 NPs and biomolecules, which can alter the physicochemical properties and the fate of NPs under physiological conditions. In the present study, in vivo solubility, oral absorption, tissue distribution, and excretion kinetics of food grade TiO2 (f-TiO2) NPs were evaluated following a single-dose oral administration to rats and were compared to those of general grade TiO2 (g-TiO2) NPs. The effect of the interactions between the TiO2 NPs and biomolecules, such as glucose and albumin, on oral absorption was also investigated, with the aim of determining the surface interactions between them. The intestinal transport pathway was also assessed using 3-dimensional culture systems. The results demonstrate that slightly higher oral absorption of f-TiO2 NPs compared to g-TiO2 NPs could be related to their intestinal transport mechanism by microfold (M) cells, however, most of the NPs were eliminated through the feces. Moreover, the biokinetics of f-TiO2 NPs was highly dependent on their interaction with biomolecules, and the dispersibility was affected by modified surface chemistry. PMID:28335354

An electro-optical and electron injection study of benzothiazole-based squaraine dyes as efficient dye-sensitized solar cell materials: a first principles study.

PubMed

Al-Fahdan, Najat Saeed; Asiri, Abdullah M; Irfan, Ahmad; Basaif, Salem A; El-Shishtawy, Reda M

2014-12-01

Squaraine dyes have attracted significant attention in many areas of daily life from biomedical imaging to semiconducting materials. Moreover, these dyes are used as photoactive materials in the field of solar cells. In the present study, we investigated the structural, electronic, photophysical, and charge transport properties of six benzothiazole-based squaraine dyes (Cis-SQ1-Cis-SQ3 and Trans-SQ1-Trans-SQ3). The effect of electron donating (-OCH3) and electron withdrawing (-COOH) groups was investigated intensively. Ground state geometry and frequency calculations were performed by applying density functional theory (DFT) at B3LYP/6-31G** level of theory. Absorption spectra were computed in chloroform at the time-dependent DFT/B3LYP/6-31G** level of theory. The driving force of electron injection (ΔG (inject)), relative driving force of electron injection (ΔG r (inject)), electronic coupling constants (|VRP|) and light harvesting efficiency (LHE) of all six compounds were calculated and compared with previously studied sensitizers. The ΔG (inject), ΔG r (inject) and |VRP| of all six compounds revealed that these sensitizers would be efficient dye-sensitized solar cell materials. Cis/Trans-SQ3 exhibited superior LHE as compared to other derivatives. The Cis/Trans geometric effect was studied and discussed with regard to electro-optical and charge transport properties.

Lead Halide Perovskites as Charge Generation Layers for Electron Mobility Measurement in Organic Semiconductors.

PubMed

Love, John A; Feuerstein, Markus; Wolff, Christian M; Facchetti, Antonio; Neher, Dieter

2017-12-06

Hybrid lead halide perovskites are introduced as charge generation layers (CGLs) for the accurate determination of electron mobilities in thin organic semiconductors. Such hybrid perovskites have become a widely studied photovoltaic material in their own right, for their high efficiencies, ease of processing from solution, strong absorption, and efficient photogeneration of charge. Time-of-flight (ToF) measurements on bilayer samples consisting of the perovskite CGL and an organic semiconductor layer of different thickness are shown to be determined by the carrier motion through the organic material, consistent with the much higher charge carrier mobility in the perovskite. Together with the efficient photon-to-electron conversion in the perovskite, this high mobility imbalance enables electron-only mobility measurement on relatively thin application-relevant organic films, which would not be possible with traditional ToF measurements. This architecture enables electron-selective mobility measurements in single components as well as bulk-heterojunction films as demonstrated in the prototypical polymer/fullerene blends. To further demonstrate the potential of this approach, electron mobilities were measured as a function of electric field and temperature in an only 127 nm thick layer of a prototypical electron-transporting perylene diimide-based polymer, and found to be consistent with an exponential trap distribution of ca. 60 meV. Our study furthermore highlights the importance of high mobility charge transporting layers when designing perovskite solar cells.

The origin of anisotropy and high density of states in the electronic structure of Cr2GeC by means of polarized soft x-ray spectroscopy and ab initio calculations

NASA Astrophysics Data System (ADS)

Magnuson, Martin; Mattesini, Maurizio; Bugnet, Matthieu; Eklund, Per

2015-10-01

The anisotropy in the electronic structure of the inherently nanolaminated ternary phase Cr2GeC is investigated by bulk-sensitive and element selective soft x-ray absorption/emission spectroscopy. The angle-resolved absorption/emission measurements reveal differences between the in-plane and out-of-plane bonding at the (0001) interfaces of Cr2GeC. The Cr L 2, 3, C K, and Ge M 1, M 2, 3 emission spectra are interpreted with first-principles density-functional theory (DFT) including core-to-valence dipole transition matrix elements. For the Ge 4s states, the x-ray emission measurements reveal two orders of magnitude higher intensity at the Fermi level than DFT within the General Gradient Approximation (GGA) predicts. We provide direct evidence of anisotropy in the electronic structure and the orbital occupation that should affect the thermal expansion coefficient and transport properties. As shown in this work, hybridization and redistribution of intensity from the shallow 3d core levels to the 4s valence band explain the large Ge density of states at the Fermi level.

The origin of anisotropy and high density of states in the electronic structure of Cr2GeC by means of polarized soft x-ray spectroscopy and ab initio calculations.

PubMed

Magnuson, Martin; Mattesini, Maurizio; Bugnet, Matthieu; Eklund, Per

2015-10-21

The anisotropy in the electronic structure of the inherently nanolaminated ternary phase Cr2GeC is investigated by bulk-sensitive and element selective soft x-ray absorption/emission spectroscopy. The angle-resolved absorption/emission measurements reveal differences between the in-plane and out-of-plane bonding at the (0001) interfaces of Cr2GeC. The Cr L(2, 3), C K, and Ge M1, M(2, 3) emission spectra are interpreted with first-principles density-functional theory (DFT) including core-to-valence dipole transition matrix elements. For the Ge 4s states, the x-ray emission measurements reveal two orders of magnitude higher intensity at the Fermi level than DFT within the General Gradient Approximation (GGA) predicts. We provide direct evidence of anisotropy in the electronic structure and the orbital occupation that should affect the thermal expansion coefficient and transport properties. As shown in this work, hybridization and redistribution of intensity from the shallow 3d core levels to the 4s valence band explain the large Ge density of states at the Fermi level.

Improving the photovoltaic performance of perovskite solar cells with acetate

PubMed Central

Zhao, Qian; Li, G. R.; Song, Jian; Zhao, Yulong; Qiang, Yinghuai; Gao, X. P.

2016-01-01

In an all-solid-state perovskite solar cell, methylammonium lead halide film is in charge of generating photo-excited electrons, thus its quality can directly influence the final photovoltaic performance of the solar cell. This paper accentuates a very simple chemical approach to improving the quality of a perovskite film with a suitable amount of acetic acid. With introduction of acetate ions, a homogeneous, continual and hole-free perovskite film comprised of high-crystallinity grains is obtained. UV-visible spectra, steady-state and time-resolved photoluminescence (PL) spectra reveal that the obtained perovskite film under the optimized conditions shows a higher light absorption, more efficient electron transport, and faster electron extraction to the adjoining electron transport layer. The features result in the optimized perovskite film can provide an improved short-circuit current. The corresponding solar cells with a planar configuration achieves an improved power conversion efficiency of 13.80%, and the highest power conversion efficiency in the photovoltaic measurements is up to 14.71%. The results not only provide a simple approach to optimizing perovskite films but also present a novel angle of view on fabricating high-performance perovskite solar cells. PMID:27934924

Improving the photovoltaic performance of perovskite solar cells with acetate.

PubMed

Zhao, Qian; Li, G R; Song, Jian; Zhao, Yulong; Qiang, Yinghuai; Gao, X P

2016-12-09

In an all-solid-state perovskite solar cell, methylammonium lead halide film is in charge of generating photo-excited electrons, thus its quality can directly influence the final photovoltaic performance of the solar cell. This paper accentuates a very simple chemical approach to improving the quality of a perovskite film with a suitable amount of acetic acid. With introduction of acetate ions, a homogeneous, continual and hole-free perovskite film comprised of high-crystallinity grains is obtained. UV-visible spectra, steady-state and time-resolved photoluminescence (PL) spectra reveal that the obtained perovskite film under the optimized conditions shows a higher light absorption, more efficient electron transport, and faster electron extraction to the adjoining electron transport layer. The features result in the optimized perovskite film can provide an improved short-circuit current. The corresponding solar cells with a planar configuration achieves an improved power conversion efficiency of 13.80%, and the highest power conversion efficiency in the photovoltaic measurements is up to 14.71%. The results not only provide a simple approach to optimizing perovskite films but also present a novel angle of view on fabricating high-performance perovskite solar cells.

Direct Investigation of Velocity Overshoot in the Femtosecond Regime

DTIC Science & Technology

1990-01-25

by block nuinber) The experiental study ofsubpicsecond transport in GaAs and other semionductors is of fundmental inPortanoe for the understanding of...velocities, hence in principle this measurement can yield information about velocity 5 overshoot phenomenon. An electric field will modify photon absorption in...3.1.2 are the best fit of the theory assuming a constant electron velocity. The constant-velocity model cannot account for the data at 14 and 22kV/cm

Gravity-induced absorption changes in Phycomyces blakesleeanus during parabolic flights: first spectral approach in the visible.

PubMed

Schmidt, Werner

2006-12-01

Gravity-induced absorption changes as experienced during a series of parabolas on the Airbus 300 Zero-G have been measured previously pointwise on the basis of dual-wavelength spectroscopy. Only the two wavelengths of 460 and 665 nm as generated by light-emitting diodes have been utilised during our first two parabolic-flight campaigns. In order to gain complete spectral information throughout the wavelength range from 400 to 900 nm, a miniaturized rapid scan spectrophotometer was designed. The difference of spectra taken at 0 g and 1.8 g presents the first gravity-induced absorption change spectrum measured on wild-type Phycomyces blakesleeanus sporangiophores, exhibiting a broad positive hump in the visible range and negative values in the near infrared with an isosbestic point near 735 nm. The control experiment performed with the stiff mutant A909 of Phycomyces blakesleeanus does not show this structure. These results are in agreement with those obtained with an array spectrophotometer. In analogy to the more thoroughly understood so-called light-induced absorption changes, we assume that gravity-induced absorption changes reflect redox changes of electron transport components such as flavins and cytochromes localised within the plasma membrane.

CuI as Hole-Transport Channel for Enhancing Photoelectrocatalytic Activity by Constructing CuI/BiOI Heterojunction.

PubMed

Sun, Mingjuan; Hu, Jiayue; Zhai, Chunyang; Zhu, Mingshan; Pan, Jianguo

2017-04-19

In this paper, CuI, as a typical hole-transport channel, was used to construct a high-performance visible-light-driven CuI/BiOI heterostructure for photoelectrocatalytic applications. The heterostructure combines the broad visible absorption of BiOI and high hole mobility of CuI. Compared to pure BiOI, the CuI/BiOI heterostructure exhibited distinctly enhanced photoelectrocatalytic performance for the oxidation of methanol and organic pollutants under visible-light irradiation. The photogenerated electron-hole pairs of the excited BiOI can be separated efficiently through CuI, in which the CuI acts as a superior hole-transport channel to improve photoelectrocatalytic oxidization of methanol and organic pollutants. The outstanding photoelectrocatalytic activity shows that the p-type CuI works as a promising hole-transport channel to improve the photocatalytic performance of traditional semiconductors.

First-Principles Predictions of Near-Edge X-ray Absorption Fine Structure Spectra of Semiconducting Polymers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Su, Gregory M.; Patel, Shrayesh N.; Pemmaraju, C. D.

The electronic structure and molecular orientation of semiconducting polymers in thin films determine their ability to transport charge. Methods based on near-edge X-ray absorption fine structure (NEXAFS) spectroscopy can be used to probe both the electronic structure and microstructure of semiconducting polymers in both crystalline and amorphous films. However, it can be challenging to interpret NEXAFS spectra on the basis of experimental data alone, and accurate, predictive calculations are needed to complement experiments. Here, we show that first-principles density functional theory (DFT) can be used to model NEXAFS spectra of semiconducting polymers and to identify the nature of transitions inmore » complicated NEXAFS spectra. Core-level X-ray absorption spectra of a set of semiconducting polymers were calculated using the excited electron and core-hole (XCH) approach based on constrained-occupancy DFT. A comparison of calculations on model oligomers and periodic structures with experimental data revealed the requirements for accurate prediction of NEXAFS spectra of both conjugated homopolymers and donor–acceptor polymers. The NEXAFS spectra predicted by the XCH approach were applied to study molecular orientation in donor–acceptor polymers using experimental spectra and revealed the complexity of using carbon edge spectra in systems with large monomeric units. The XCH approach has sufficient accuracy in predicting experimental NEXAFS spectra of polymers that it should be considered for design and analysis of measurements using soft X-ray techniques, such as resonant soft X-ray scattering and scanning transmission X-ray microscopy.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Takahashi, Masayuki, E-mail: m.takahashi@al.t.u-tokyo.ac.jp; Ohnishi, Naofumi

A filamentary plasma is reproduced based on a fully kinetic model of electron and ion transports coupled with electromagnetic wave propagation. The discharge plasma transits from discrete to diffusive patterns at a 110-GHz breakdown, with decrease in the ambient pressure, because of the rapid electron diffusion that occurs during an increase in the propagation speed of the ionization front. A discrete plasma is obtained at low pressures when a low-frequency microwave is irradiated because the ionization process becomes more dominant than the electron diffusion, when the electrons are effectively heated by the low-frequency microwave. The propagation speed of the plasmamore » increases with decrease in the incident microwave frequency because of the higher ionization frequency and faster plasma diffusion resulting from the increase in the energy-absorption rate. An external magnetic field is applied to the breakdown volume, which induces plasma filamentation at lower pressures because the electron diffusion is suppressed by the magnetic field. The thrust performance of a microwave rocket is improved by the magnetic fields corresponding to the electron cyclotron resonance (ECR) and its higher-harmonic heating, because slower propagation of the ionization front and larger energy-absorption rates are obtained at lower pressures. It would be advantageous if the fundamental mode of ECR heating is coupled with a lower frequency microwave instead of combining the higher-harmonic ECR heating with the higher frequency microwave. This can improve the thrust performance with smaller magnetic fields even if the propagation speed increases because of the decrease in the incident microwave frequency.« less

One-Dimensional Electron Transport Layers for Perovskite Solar Cells

PubMed Central

Thakur, Ujwal K.; Kisslinger, Ryan; Shankar, Karthik

2017-01-01

The electron diffusion length (Ln) is smaller than the hole diffusion length (Lp) in many halide perovskite semiconductors meaning that the use of ordered one-dimensional (1D) structures such as nanowires (NWs) and nanotubes (NTs) as electron transport layers (ETLs) is a promising method of achieving high performance halide perovskite solar cells (HPSCs). ETLs consisting of oriented and aligned NWs and NTs offer the potential not merely for improved directional charge transport but also for the enhanced absorption of incoming light and thermodynamically efficient management of photogenerated carrier populations. The ordered architecture of NW/NT arrays affords superior infiltration of a deposited material making them ideal for use in HPSCs. Photoconversion efficiencies (PCEs) as high as 18% have been demonstrated for HPSCs using 1D ETLs. Despite the advantages of 1D ETLs, there are still challenges that need to be overcome to achieve even higher PCEs, such as better methods to eliminate or passivate surface traps, improved understanding of the hetero-interface and optimization of the morphology (i.e., length, diameter, and spacing of NWs/NTs). This review introduces the general considerations of ETLs for HPSCs, deposition techniques used, and the current research and challenges in the field of 1D ETLs for perovskite solar cells. PMID:28468280

Electronic Interactions of Michler's Ketone with DNA Bases in Synthetic Hairpins.

PubMed

Jalilov, Almaz S; Young, Ryan M; Eaton, Samuel W; Wasielewski, Michael R; Lewis, Frederick D

2015-01-01

The mechanism and dynamics of photoinduced electron transfer in two families of DNA hairpins possessing Michler's ketone linkers have been investigated by means of steady state and time-resolved transient absorption and emission spectroscopies. The excited state behavior of the diol linker employed in hairpin synthesis is similar to that of Michler's ketone in methanol solution. Hairpins possessing only a Michler's ketone linker undergo fast singlet state charge separation and charge recombination with an adjacent purine base, attributed to well-stacked ground state conformations, and intersystem crossing to the triplet state, attributed to poorly stacked ground state conformations. The failure of the triplet to undergo electron transfer reactions on the 7 ns time scale of our measurements is attributed to the low triplet energy and reduction potential of the twisted triplet state. Hairpins possessing both a Michler's ketone linker and a perylenediimide base surrogate separated by four base pairs undergo photoinduced hole transport from the diimide to Michler's ketone upon excitation of the diimide. The efficiency of hole transport is dependent upon the sequence of the intervening purine bases. © 2014 The American Society of Photobiology.

Charge transfer and optical properties of trifluoromethyl substituted benzodithiophene (TFMBDT): A theoretical study

NASA Astrophysics Data System (ADS)

Sahoo, Smruti Ranjan; Sahu, Sridhar; Sharma, Sagar

2018-05-01

We present density functional study of the charge transport and optical properties of trifluoromethyl substituted benzodithiophene (TFMBDT) molecule. We found the hole reorganization energy, reduced by 0.354 eV compared to the electron reorganization energy, thus favoring the hole transport across the molecular barrier. We found the maximum tH and tL at the tilting angle 85°, to be 0.473 eV and 0.472 eV, respectively. Although, both tH and tL are found to equivalent, however, low λh can contribute to the larger hole mobility. In the TD-DFT calculation, the low energy electronic transition (H→L) was found to be accordance with the electronic HOMO-LUMO energy gap of the conjugated organic molecule. The calculated gas phase maximum absorption (λmax) of TFMBDT molecule was observed at 337.31 nm (3.67 eV) for B3LYP/6-311+G(d, p) level and 328.04 nm (3.77 eV) for PBE1PBE/6-311+G(d, p) level, which is mostly associated with HOMO→LUMO transition.

L-Asparagine crystals with wide gap semiconductor features: optical absorption measurements and density functional theory computations.

PubMed

Zanatta, G; Gottfried, C; Silva, A M; Caetano, E W S; Sales, F A M; Freire, V N

2014-03-28

Results of optical absorption measurements are presented together with calculated structural, electronic, and optical properties for the anhydrous monoclinic L-asparagine crystal. Density functional theory (DFT) within the generalized gradient approximation (GGA) including dispersion effects (TS, Grimme) was employed to perform the calculations. The optical absorption measurements revealed that the anhydrous monoclinic L-asparagine crystal is a wide band gap material with 4.95 eV main gap energy. DFT-GGA+TS simulations, on the other hand, produced structural parameters in very good agreement with X-ray data. The lattice parameter differences Δa, Δb, Δc between theory and experiment were as small as 0.020, 0.051, and 0.022 Å, respectively. The calculated band gap energy is smaller than the experimental data by about 15%, with a 4.23 eV indirect band gap corresponding to Z → Γ and Z → β transitions. Three other indirect band gaps of 4.30 eV, 4.32 eV, and 4.36 eV are assigned to α3 → Γ, α1 → Γ, and α2 → Γ transitions, respectively. Δ-sol computations, on the other hand, predict a main band gap of 5.00 eV, just 50 meV above the experimental value. Electronic wavefunctions mainly originating from O 2p-carboxyl, C 2p-side chain, and C 2p-carboxyl orbitals contribute most significantly to the highest valence and lowest conduction energy bands, respectively. By varying the lattice parameters from their converged equilibrium values, we show that the unit cell is less stiff along the b direction than for the a and c directions. Effective mass calculations suggest that hole transport behavior is more anisotropic than electron transport, but the mass values allow for some charge mobility except along a direction perpendicular to the molecular layers of L-asparagine which form the crystal, so anhydrous monoclinic L-asparagine crystals could behave as wide gap semiconductors. Finally, the calculations point to a high degree of optical anisotropy for the absorption and complex dielectric function, with more structured curves for incident light polarized along the 100 and 101 directions.

CdSe quantum dot-fullerene hybrid nanocomposite for solar energy conversion: electron transfer and photoelectrochemistry.

PubMed

Bang, Jin Ho; Kamat, Prashant V

2011-12-27

The development of organic/inorganic hybrid nanocomposite systems that enable efficient solar energy conversion has been important for applications in solar cell research. Nanostructured carbon-based systems, in particular C(60), offer attractive strategies to collect and transport electrons generated in a light harvesting assembly. We have assembled CdSe-C(60) nanocomposites by chemically linking CdSe quantum dots (QDs) with thiol-functionalized C(60). The photoinduced charge separation and collection of electrons in CdSe QD-C(60) nanocomposites have been evaluated using transient absorption spectroscopy and photoelectrochemical measurements. The rate constant for electron transfer between excited CdSe QD and C(60) increased with the decreasing size of the CdSe QD (7.9 × 10(9) s(-1) (4.5 nm), 1.7 × 10(10) s(-1) (3.2 nm), and 9.0 × 10(10) s(-1) (2.6 nm)). Slower hole transfer and faster charge recombination and transport events were found to dominate over the forward electron injection process, thus limiting the deliverance of maximum power in CdSe QD-C(60)-based solar cells. The photoinduced charge separation between CdSe QDs and C(60) opens up new design strategies for developing light harvesting assemblies.

[In vitro absorption mechanism of strychnine and the transport interaction with liquiritin in Caco-2 cell monolayer model].

PubMed

Wang, Jun-jun; Liao, Xiao-huan; Ye, Min; Chen, Yong

2010-09-01

To study the effect of liquiritin (Liq) on the transport of strychnine (Str) in Caco-2 cell monolayer model, the transport parameters of Str, such as apparent permeability coefficient (P app (B-->A) and P app (A-->B)) and cumulative transport amount (TRcum), were determined and comparatively analyzed when Str was used solely and co-used with Liq. The effect of drug concentrations, conveying times, P-glycoprotein (P-gp) inhibitor verapamil and conveying liquor pH values on the transport of Str were also investigated. The results indicated that the absorption of Str in Caco-2 cell monolayer model was well and the passive transference was the main intestinal absorption mechanism of Str in the Caco-2 monolayer model, along with the excretion action mediated by P-gp. Liq enhanced the absorption of Str. Meanwhile, conveying liquor pH value had significant influence on the excretion transport of Str.

High transport and excellent optical property of a two-dimensional single-layered hybrid perovskite (C4H9NH3)2PbBr4: a theoretical study.

PubMed

Lei, Jun-Hui; Zhao, Yu-Qing; Tang, Qiong; Lin, Jian-Guo; Cai, Meng-Qiu

2018-05-16

Organic-inorganic hybrid perovskites are developed to pursue high charge carrier mobility and light absorption coefficient. In this study, we present a detailed comparative research of the atomic and electronic structures of single-layered perovskites (C4H9NH3)2PbBr4 with two-dimensional/three-dimensional (2D/3D) spatial arrangement to predict the in plane charge carrier mobility along with the charge effective mass, elastic constant, and deformation potential. The calculated results reveal that the intrinsic in plane carrier mobilities of 2D single-layered hybrid perovskite (C4H9NH3)2PbBr4 along the 100 and 010 directions are superior to those of the 3D structure. Furthermore, the optical properties are calculated from the electronic structure; it is found that the light absorption spectrum of 2D single-layered perovskite (C4H9NH3)2PbBr4 with a high absorption coefficient is wider than that of the 3D phase. We speculate that the superior mobility and wider absorption spectrum of the 2D mono-layered perovskite are due to high charge density and ferroelectricity originating from structure distortion upon 3D-to-2D structure transformation. These results indicate that the 2D single-layered hybrid perovskite (C4H9NH3)2PbBr4 is a potential candidate for application in the optoelectronic and photovoltaic fields.

Phototolerance of lichens, mosses and higher plants in an alpine environment: analysis of photoreactions.

PubMed

Heber, U; Bilger, W; Bligny, R; Lange, O L

2000-11-01

Adaptation to excessive light is one of the requirements of survival in an alpine environment particularly for poikilohydric organisms which in contrast to the leaves of higher plants tolerate full dehydration. Changes in modulated chlorophyll fluorescence and 820-nm absorption were investigated in the lichens Xanthoria elegans (Link) Th. Fr. and Rhizocarpon geographicum (L.) DC, in the moss Grimmia alpestris Limpr. and the higher plants Geum montanum L., Gentiana lutea L. and Pisum sativum L., all collected at altitudes higher than 2000 m above sea level. In the dehydrated state, chlorophyll fluorescence was very low in the lichens and the moss, but high in the higher plants. It increased on rehydration in the lichens and the moss, but decreased in the higher plants. Light-induced charge separation in photosystem II was indicated by pulse-induced fluorescence increases only in dried leaves, not in the dry moss and dry lichens. Strong illumination caused photodamage in the dried leaves, but not in the dry moss and dry lichens. Light-dependent increases in 820-nm absorption revealed formation of potential quenchers of chlorophyll fluorescence in all dehydrated plants, but energy transfer to quenchers decreased chlorophyll fluorescence only in the moss and the lichens, not in the higher plants. In hydrated systems, coupled cyclic electron transport is suggested to occur concurrently with linear electron transport under strong actinic illumination particularly in the lichens because far more electrons became available after actinic illumination for the reduction of photo-oxidized P700 than were available in the pool of electron carriers between photosystems II and I. In the moss Grimmia, but not in the lichens or in leaves, light-dependent quenching of chlorophyll fluorescence was extensive even under nitrogen, indicating anaerobic thylakoid acidification by persistent cyclic electron transport. In the absence of actinic illumination, acidification by ca. 8% CO2 in air quenched the initial chlorophyll fluorescence yield Fo only in the hydrated moss and the lichens, not in leaves of the higher plants. Under the same conditions, 8% CO2 reduced the maximal fluorescence yield Fm strongly in the poikilohydric organisms, but only weakly or not at all in leaves. The data indicate the existence of deactivation pathways which enable poikilohydric organisms to avoid photodamage not only in the hydrated but also in the dehydrated state. In the hydrated state, strong nonphotochemical quenching of chlorophyll fluorescence indicated highly sensitive responses to excess light which facilitated the harmless dissipation of absorbed excitation energy into heat. Protonation-dependent fluorescence quenching by cyclic electron transport, P700 oxidation and, possibly, excitation transfer between the photosystems were effectively combined to produce phototolerance.

A Surface Science Perspective on TiO2 Photocatalysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Henderson, Michael A.

2011-06-15

The field of surface science provides a unique approach to understanding bulk, surface and interfacial phenomena occurring during TiO2 photochemistry and photocatalysis. This review highlights, from a surface science perspective, recent literature providing molecular-level insights into phonon-initiated events on TiO2 surfaces obtained in seven key scientific issues: (1) photon absorption, (2) charge transport and trapping, (3) electron transfer dynamics, (4) the adsorbed state, (5) mechanisms, (6) poisons and promoters, and (7) phase and form.

Tracking the ultrafast XUV optical properties of x-ray free-electron-laser heated matter with high-order harmonics

NASA Astrophysics Data System (ADS)

Williams, Gareth O.; Künzel, S.; Daboussi, S.; Iwan, B.; Gonzalez, A. I.; Boutu, W.; Hilbert, V.; Zastrau, U.; Lee, H. J.; Nagler, B.; Granados, E.; Galtier, E.; Heimann, P.; Barbrel, B.; Dovillaire, G.; Lee, R. W.; Dunn, J.; Recoules, V.; Blancard, C.; Renaudin, P.; de la Varga, A. G.; Velarde, P.; Audebert, P.; Merdji, H.; Zeitoun, Ph.; Fajardo, M.

2018-02-01

We present measurements of photon absorption by free electrons as a solid is transformed to plasma. A femtosecond x-ray free-electron laser is used to heat a solid, which separates the electron and ion heating time scales. The changes in absorption are measured with an independent probe pulse created through high-order-harmonic generation. We find an increase in electron temperature to have a relatively small impact on absorption, contrary to several predictions, whereas ion heating increases absorption. We compare the data to current theoretical and numerical approaches and find that a smoother electronic structure yields a better fit to the data, suggestive of a temperature-dependent electronic structure in warm dense matter.

Photo-electrochemical properties of graphene wrapped hierarchically branched nanostructures obtained through hydrothermally transformed TiO2 nanotubes

NASA Astrophysics Data System (ADS)

Rambabu, Y.; Jaiswal, Manu; Roy, Somnath C.

2017-10-01

Hierarchically structured nanomaterials play an important role in both light absorption and separation of photo-generated charges. In the present study, hierarchically branched TiO2 nanostructures (HB-MLNTs) are obtained through hydrothermal transformation of electrochemically anodized TiO2 multi-leg nanotubes (MLNT) arrays. Photo-anodes based on HB-MLNTs demonstrated 5 fold increase in applied bias to photo-conversion efficiency (%ABPE) over that of TiO2 MLNTs without branches. Further, such nanostructures are wrapped with reduced graphene oxide (rGO) films to enhance the charge separation, which resulted in ∼6.5 times enhancement in %ABPE over that of bare MLNTs. We estimated charge transport (η tr) and charge transfer (η ct) efficiencies by analyzing the photo-current data. The ultra-fine nano branches grown on the MLNTs are effective in increasing light absorption through multiple scattering and improving charge transport/transfer efficiencies by enlarging semiconductor/electrolyte interface area. The charge transfer resistance, interfacial capacitance and electron decay time have been estimated through electrochemical impedance measurements which correlate with the results obtained from photocurrent measurements.

Electron and ion dynamics study of iron in warm dense matter regime by time-resolved XAS measurements and from first-principles

NASA Astrophysics Data System (ADS)

Ogitsu, T.; Fernandez-Paãella, A.; Correa, A.; Engelhorn, K.; Barbrel, B.; Prendergast, D. G.; Pemmaraju, D.; Beckwith, M.; Kraus, D.; Hamel, S.; Cho, B. I.; Jin, L.; Wong, J.; Heinman, P.; Collins, G. W.; Falcone, R.; Ping, Y.

2016-10-01

We present a study of the electron-phonon coupling of warm dense iron upon femtosecond laser excitation by time-resolved x-ray absorption near edge spectroscopy (XANES). The dynamics of iron in electron-ion non-equilibrium conditions was studied using ab-initio density-functional-theory (DFT) simulations combined with the Two Temperature Model (TTM) where spatial inhomogeneity of electron (and ion) temperature(s) due to short ballistic electron transport length in iron was explicitly taken into consideration. Detailed comparison between our simulation results and experiments indicates that the ion temperature dependence on specific heat and on electron-phonon coupling also plays a relevant role in modeling the relaxation dynamics of electrons and ions. These results are the first experimental evidence of the suppression of the electron-phonon coupling factor of a transition metal at electron temperatures ranging 5000- 10000 K. This work was performed under DOE contract DE-AC52-07NA27344 with support from OFES Early Career program and LLNL LDRD program.

Structured triglyceride vehicles for oral delivery of halofantrine: examination of intestinal lymphatic transport and bioavailability in conscious rats.

PubMed

Holm, René; Porter, Christopher J H; Müllertz, Anette; Kristensen, Henning G; Charman, William N

2002-09-01

To compare the influence of triglyceride vehicle intramolecular structure on the intestinal lymphatic transport and systemic absorption of halofantrine in conscious rats. Conscious, lymph cannulated and nonlymph cannulated rats were dosed orally with three structurally different triglycerides; sunflower oil, and two structured triglycerides containing different proportion and position of medium-(M) and long-chain (L) fatty acids on the glycerol backbone. The two structured triglycerides were abbreviated MLM and LML to reflect the structural position on the glycerol. The concentration of halofantrine in blood and lymph samples was analyzed by HPLC. Both the lymphatic transport and the total absorption of halofantrine were enhanced by the use the MLM triglyceride. The estimated total absorption of halofantrine in the lymph cannulated animals was higher than in the nonlymph cannulated animals, and this was most pronounced for the animals dosed with the structured triglycerides. Using MLM as vehicle increases the portal absorption of halofantrine and results in similar lymphatic transport levels when compared to sunflower oil. Total absorption when assessed as absorption in the blood plus lymphatic transport for halofantrine after administration in the MLM triglyceride was higher than after administration in sunflower oil.

Observation of chiral phonons

NASA Astrophysics Data System (ADS)

Zhu, Hanyu; Yi, Jun; Li, Ming-Yang; Xiao, Jun; Zhang, Lifa; Yang, Chih-Wen; Kaindl, Robert A.; Li, Lain-Jong; Wang, Yuan; Zhang, Xiang

2018-02-01

Chirality reveals symmetry breaking of the fundamental interaction of elementary particles. In condensed matter, for example, the chirality of electrons governs many unconventional transport phenomena such as the quantum Hall effect. Here we show that phonons can exhibit intrinsic chirality in monolayer tungsten diselenide. The broken inversion symmetry of the lattice lifts the degeneracy of clockwise and counterclockwise phonon modes at the corners of the Brillouin zone. We identified the phonons by the intervalley transfer of holes through hole-phonon interactions during the indirect infrared absorption, and we confirmed their chirality by the infrared circular dichroism arising from pseudoangular momentum conservation. The chiral phonons are important for electron-phonon coupling in solids, phonon-driven topological states, and energy-efficient information processing.

Iron deficiency stress can induce MxNRAMP1 protein endocytosis in M. xiaojinensis.

PubMed

Pan, Haifa; Wang, Yi; Zha, Qian; Yuan, Mudan; Yin, Lili; Wu, Ting; Zhang, Xinzhong; Xu, Xuefeng; Han, Zhenhai

2015-08-10

Iron deficiency is one of the most common nutritional disorders in plants, especially in fruit trees grown in calcareous soil. Iron deficiency stress can induce a series of adaptive responses in plants, the cellular and molecular mechanisms of which remain unclear. NRAMPs (natural resistance-associated macrophage proteins) play an important role in divalent metal ion transportation. In this study, we cloned MxNRAMP1, an NRAMP family gene from a highly iron-efficient apple genotype, Malus xiaojinensis. Further research showed that iron deficiency stress could induce MxNRAMP1 expression in roots and leaves. A protoplast transient expression system and immune electron microscopy localization techniques were used to prove that MxNRAMP1 mainly exists in the plasma membrane and vesicles. Interestingly, iron deficiency stress could induce the MxNRAMP protein to transport iron ions to specific organelles (lysosome and chloroplast) through vesicle endocytosis. Stable transgenic tobacco showed that MxNRAMP1 over-expression could promote iron absorption and accumulation in plants, and increase the plant's resistance against iron deficiency stress. These results showed that, in M. xiaojinensis, MxNRAMP1 not only plays an important role in iron absorption and transportation, it can also produce adaptive responses against iron deficiency through endocytosis. Copyright © 2015 Elsevier B.V. All rights reserved.

CdSe quantum dot sensitized solar cells. Shuttling electrons through stacked carbon nanocups.

PubMed

Farrow, Blake; Kamat, Prashant V

2009-08-12

The charge separation between excited CdSe semiconductor quantum dots and stacked-cup carbon nanotubes (SCCNTs) has been successfully tapped to generate photocurrent in a quantum dot sensitized solar cell (QDSC). By employing an electrophoretic deposition technique we have cast SCCNT-CdSe composite films on optically transparent electrodes (OTEs). The quenching of CdSe emission, as well as transient absorption measurements, confirms ultrafast electron transfer to SCCNTs. The rate constant for electron transfer increases from 9.51 x 10(9) s(-1) to 7.04 x 10(10) s(-1) as we decrease the size of CdSe nanoparticles from 4.5 to 3 nm. The ability of SCCNTs to collect and transport electrons from excited CdSe has been established from photocurrent measurements. The morphological and excited state properties of SCCNT-CdSe composites demonstrate their usefulness in energy conversion devices.

Core Perylene Diimide Designs via Direct Bay- and ortho-(Poly)trifluoromethylation: Synthesis, Isolation, X-Ray Structures, Optical and Electronic Properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clikeman, Tyler T.; Bukovsky, Eric V.; Wang, Xue-Bin

2015-09-22

We developed an efficient solvent- and catalyst-free direct polytrifluoromethylation of solid perylene-3,4,9,10-tetracarboxylic dianhydride that produced a new family of (poly)perfluoroalkyl bay- and ortho-substituted PDIs with two different imide substituents. Direct hydrogen substitution with CN group led to the synthesis of a cyanated perfluoroalkyl PDI derivative for the first time. Absorption, steady-state and time-resolved emission, X-ray diffraction, electrochemical, and gas-phase electron affinity data allowed for systematic studies of substitution effects at bay, ortho, and imide positions in the new PDIs. Solid-state packing showed remarkable variations in the intermolecular interactions that are important for charge transport and photophysical properties. Moreover, analysis ofmore » the electrochemical data for 143 electron poor PDIs, including newly reported compounds, revealed some general trends and peculiar effects from substituting electron-withdrawing groups at all three positions.« less

Core Perylene Diimide Designs via Direct Bay and Ortho (Poly)trifluoromethylation: Synthesis, Isolation, X-ray Structures, Optical and Electronic Properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clikeman, Tyler T.; Bukovsky, Eric V.; Wang, Xue B.

2015-09-22

We developed an efficient solvent- and catalyst-free direct polytrifluoromethylation of solid perylene-3,4,9,10-tetracarboxylic dianhydride that produced a new family of (poly)perfluoroalkyl bay and ortho substituted PDIs with two different imide substituents. Direct hydrogen substitution with CN group led to the synthesis of a cyanated perfluoroalkyl PDI derivative for the first time. Absorption, steady-state and time-resolved emission, X-ray diffraction, electrochemical, and gas-phase electron affinity data allowed for systematic studies of substitution effects at bay, ortho, and imide positions in the new PDIs. Solid-state packing showed remarkable variations in the intermolecular interactions that are important for charge transport and photophysical properties. Analysis ofmore » the electrochemical data for 143 electron poor PDIs, including newly reported compounds, revealed some general trends and peculiar effects of electron withdrawing group substitution at all three positions.« less

Light absorption and morphological properties of soot-containing aerosols observed at an East Asian outflow site, Noto Peninsula, Japan

NASA Astrophysics Data System (ADS)

Ueda, Sayako; Nakayama, Tomoki; Taketani, Fumikazu; Adachi, Kouji; Matsuki, Atsushi; Iwamoto, Yoko; Sadanaga, Yasuhiro; Matsumi, Yutaka

2016-03-01

The coating of black carbon (BC) with inorganic salts and organic compounds can enhance the magnitude of light absorption by BC. To elucidate the enhancement of light absorption of aged BC particles and its relation to the mixing state and morphology of individual particles, we conducted observations of particles at an Asian outflow site in Noto Peninsula, Japan, in the spring of 2013. Absorption and scattering coefficients at 405, 532, and 781 nm and mass concentrations/mixing states of refractory BC in PM2.5 were measured using a three-wavelength photoacoustic soot spectrometer and a single-particle soot photometer (SP2), respectively, after passage through a thermodenuder (TD) maintained at 300 or 400 °C or a bypass line maintained at room temperature (25 °C). The average enhancement factor of BC light absorption due to coating was estimated by comparing absorption coefficients at 781 nm for particles that with and without passing through the TD at 300 °C and was found to be 1.22. The largest enhancements (> 1.30) were observed under high absorption coefficient periods when the air mass was long-range transported from urban areas in China. Aerosol samples were also analyzed using a transmission electron microscope (TEM) equipped with an energy dispersive X-ray analyzer. The morphological features and mixing states of soot-containing particles of four samples collected during the high absorption events were analyzed by comparing microphotographs before and after the evaporation of beam-sensitive materials by irradiation with a high-density electron beam. The majority of the soot in all samples was found as mixed particles with sulfate-containing spherules or as clusters of such spherules. For samples showing high enhancement (> 1.30) of BC light absorption, the TEM showed that the internally mixed soot-containing particles tended to have a more spherical shape and to be thickly coated. The SP2 measurements also suggested that the proportion of thickly coated soot was greater. Thus, the observed enhancement of BC light absorption was found to differ according to the mixing states and morphology of soot-containing particles. The enhancement of BC light absorption in our in situ measurements and its relation with individual features of soot-containing particles will be useful to evaluate direct radiative forcing in the downwind areas of large emission sources of BC.

Light absorption and morphological properties of soot-containing aerosols observed at an East Asian outflow site, Noto Peninsula, Japan

NASA Astrophysics Data System (ADS)

Ueda, S.; Nakayama, T.; Taketani, F.; Adachi, K.; Matsuki, A.; Iwamoto, Y.; Sadanaga, Y.; Matsumi, Y.

2015-09-01

The coating of black carbon (BC) with inorganic salts and organic compounds can enhance the magnitude of light absorption by BC. To elucidate the enhancement of light absorption of aged BC particles and its relation to the mixing state and morphology of individual particles, we conducted observations of particles at an Asian outflow site in Noto Peninsula, Japan, in the spring of 2013. Absorption and scattering coefficients at 405, 532, and 781 nm and mass concentrations/mixing states of refractory-BC in PM2.5 were measured using a three-wavelength photoacoustic soot spectrometer and a single-particle soot photometer (SP2), respectively, after passage through a heater maintained at 300 or 400 °C or a bypass line maintained at room temperature (25 °C). The average enhancement of BC light absorption due to coating was estimated by comparing absorption coefficients at 781 nm for particles that with and without passing through the heater and was found to be 22-23 %. The largest enhancements (> 30 %) were observed under high absorption coefficient conditions when the air mass was long-range transported from urban areas in China. Aerosol samples were also analyzed using a transmission electron microscope (TEM) equipped with an energy dispersive X-ray analyzer. The morphological features and mixing states of soot-containing particles of four samples collected during the high absorption coefficient events were analyzed by comparing microphotographs before and after the evaporation of beam-sensitive materials by irradiation with a high density electron beam. The majority of the soot in all samples was found as mixed particles with spherical sulfate or as clusters of sulfate spherules. For samples showing high enhancement (> 30 %) of BC light absorption, TEM showed that the internally mixed soot-containing particles tended to have a more spherical shape and to be embedded into the sulfate. The SP2 measurements also suggested that the proportion of thickly-coated soot was greater. Thus, the observed enhancement of BC light absorption was found to differ according to the mixing states and morphology of soot-containing particles. The enhancement of BC light absorption in our in situ measurements and its relation with individual features of soot-containing particles will be useful to evaluate direct radiative forcing in the leeward areas of large emission sources of BC.

Alkali Salt-Doped Highly Transparent and Thickness-Insensitive Electron-Transport Layer for High-Performance Polymer Solar Cell.

PubMed

Xu, Rongguo; Zhang, Kai; Liu, Xi; Jin, Yaocheng; Jiang, Xiao-Fang; Xu, Qing-Hua; Huang, Fei; Cao, Yong

2018-01-17

Solution-processable highly transparent and thickness-insensitive hybrid electron-transport layer (ETL) with enhanced electron-extraction and electron-transport properties for high-performance polymer solar cell was reported. With the incorporation of Cs 2 CO 3 into the poly[(9,9-bis(6'-((N,N-diethyl)-N-ethylammonium)-hexyl)-2,7-fluorene)-alt-1,4-diphenylsulfide]dibromide (PF6NPSBr) ETL, the power conversion efficiency (PCE) of resulted polymer solar cells (PSCs) was significantly enhanced due to the favorable interfacial contact, energy-level alignment, and thus facile electron transport in the PSC device. These organic-inorganic hybrid ETLs also exhibited high transparency and high electron mobility. All of these combined properties ensured us to design novel thickness-insensitive ETLs that avoid the parasitic absorption of ETL itself simultaneously. With the conventional device structure with poly{4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl-alt-3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophene-4,6-diyl} (PTB7-Th) as a donor and [6,6]-phenyl-C71-butyric acid methyl ester (PC 71 BM) as an acceptor, devices with hybrid ETLs exhibited PCE of 8.30-9.45% within a wide range of ETL thickness. A notable PCE of 10.78% was achieved with the thick active layer poly(2,5-thiophene-alt-5,5'-(5,10-bis(4-(2-octyldodecyl)thiophen-2-yl)naphtho[1,2-c:5,6-c']bis([1,2,5]thiadiazole)) (PTNT812):PC 71 BM. These findings indicated that doping alkali salt into the organic interfacial materials can be a promising strategy to design highly efficient and thickness-insensitive ETL, which may be suitable for large-area PSC modules device fabrication with roll-to-roll printing technique.

Reduced graphene oxide wrapped Cu2O supported on C3N4: An efficient visible light responsive semiconductor photocatalyst

NASA Astrophysics Data System (ADS)

Ganesh Babu, S.; Vinoth, R.; Surya Narayana, P.; Bahnemann, Detlef; Neppolian, B.

2015-10-01

Herein, Cu2O spheres were prepared and encapsulated with reduced graphene oxide (rGO). The Cu2O-rGO-C3N4 composite covered the whole solar spectrum with significant absorption intensity. rGO wrapped Cu2O loading caused a red shift in the absorption with respect to considering the absorption of bare C3N4. The photoluminescence study confirms that rGO exploited as an electron transport layer at the interface of Cu2O and C3N4 heterojunction. Utmost, ˜2 fold synergistic effect was achieved with Cu2O-rGO-C3N4 for the photocatalytic reduction of 4-nitrophenol to 4-aminophenol in comparison with Cu2O-rGO and C3N4. The Cu2O-rGO-C3N4 photocatalyst was reused for four times without loss in its activity.

Electronic and transport properties of Li-doped NiO epitaxial thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, J. Y.; Li, W. W.; Hoye, R. L. Z.

NiO is a p-type wide bandgap semiconductor of use in various electronic devices ranging from solar cells to transparent transistors. Understanding and improving its optical and transport properties have been of considerable interest. In this work, we have investigated the effect of Li doping on the electronic, optical and transport properties of NiO epitaxial thin films grown by pulsed laser deposition. We show that Li doping significantly increases the p-type conductivity of NiO, but all the films have relatively low room-temperature mobilities (<0.05 cm2 V -1s -1). The conduction mechanism is better described by small-polaron hoping model in the temperaturemore » range of 200 K < T <330 K, and variable range hopping at T <200 K. A combination of x-ray photoemission and O K-edge x-ray absorption spectroscopic investigations reveal that the Fermi level gradually shifts toward the valence band maximum (VBM) and a new hole state develops with Li doping. Both the VBM and hole states are composed of primarily Zhang-Rice bound states, which accounts for the small polaron character (low mobility) of hole conduction. Our work provides guidelines for the search for p-type oxide materials and device optimization.NiO is a p-type wide bandgap semiconductor of use in various electronic devices ranging from solar cells to transparent transistors. This work reports the controlling of conductivity and increase of work functions by Li doping.« less

Elucidating energy and electron transfer dynamics within molecular assemblies for solar energy conversion

NASA Astrophysics Data System (ADS)

Morseth, Zachary Aaron

The use of sunlight to make chemical fuels (i.e. solar fuels) is an attractive approach in the quest to develop sustainable energy sources. Using nature as a guide, assemblies for artificial photosynthesis will need to perform multiple functions. They will need to be able to harvest light across a broad region of the solar spectrum, transport excited-state energy to charge-separation sites, and then transport and store redox equivalents for use in the catalytic reactions that produce chemical fuels. This multifunctional behavior will require the assimilation of multiple components into a single macromolecular system. A wide variety of different architectures including porphyrin arrays, peptides, dendrimers, and polymers have been explored, with each design posing unique challenges. Polymer assemblies are attractive due to their relative ease of production and facile synthetic modification. However, their disordered nature gives rise to stochastic dynamics not present in more ordered assemblies. The rational design of assemblies requires a detailed understanding of the energy and electron transfer events that follow light absorption, which can occur on timescales ranging from femtoseconds to hundreds of microseconds, necessitating the use of sophisticated techniques. We have used a combination of time-resolved absorption and emission spectroscopies with observation times that span nine orders of magnitude to follow the excited-state evolution within single-site and polymer-based molecular assemblies. We complement experimental observations with electronic structure calculations, molecular dynamics simulations, and kinetic modeling to develop a microscopic view of these dynamics. This thesis provides an overview of work on single-site molecular assemblies and polymers decorated with pendant chromophores, both in solution and on surfaces. This work was made possible through extensive collaboration with Dr. Kirk Schanze's and Dr. John Reynolds' research groups who synthesized the samples for study.

Modelling of the EAST lower-hybrid current drive experiment using GENRAY/CQL3D and TORLH/CQL3D

NASA Astrophysics Data System (ADS)

Yang, C.; Bonoli, P. T.; Wright, J. C.; Ding, B. J.; Parker, R.; Shiraiwa, S.; Li, M. H.

2014-12-01

The coupled GENRAY-CQL3D code has been used to do systematic ray-tracing and Fokker-Planck analysis for EAST Lower Hybrid wave Current Drive (LHCD) experiments. Despite being in the weak absorption regime, the experimental level of LH current drive is successfully simulated, by taking into account the variations in the parallel wavenumber due to the toroidal effect. The effect of radial transport of the fast LH electrons in EAST has also been studied, which shows that a modest amount of radial transport diffusion can redistribute the fast LH current significantly. Taking advantage of the new capability in GENRAY, the actual Scrape Off Layer (SOL) model with magnetic field, density, temperature, and geometry is included in the simulation for both the lower and the higher density cases, so that the collisional losses of Lower Hybrid Wave (LHW) power in the SOL has been accounted for, which together with fast electron losses can reproduce the LHCD experimental observations in different discharges of EAST. We have also analyzed EAST discharges where there is a significant ohmic contribution to the total current, and good agreement with experiment in terms of total current has been obtained. Also, the full-wave code TORLH has been used for the simulation of the LH physics in the EAST, including full-wave effects such as diffraction and focusing which may also play an important role in bridging the spectral gap. The comparisons between the GENRAY and the TORLH codes are done for both the Maxwellian and the quasi-linear electron Landau damping cases. These simulations represent an important addition to the validation studies of the GENRAY-CQL3D and TORLH models being used in weak absorption scenarios of tokamaks with large aspect ratio.

The absorption and transport of magnolol in Caco-2 cell model.

PubMed

Wu, An-Guo; Zeng, Bao; Huang, Meng-Qiu; Li, Sheng-Mei; Chen, Jian-Nan; Lai, Xiao-Ping

2013-03-01

To investigate the absorption and transport mechanism of magnolol in Caco-2 cell model. A human intestinal epithelial cell model Caco-2 cell in vitro cultured was applied to study the absorption and transport of magnolol, the effects of time, donor concentration, P-gp inhibitor verapamil, pH and temperature on the absorption and transport of magnolol were investigated. The determination of magnolol was performed by high performance liquid chromatography, then the values of apparent permeability coefficient (P app ) and P ratio Basolateral-to-Apical (BL-to-AP)/Apical-to-Basolateral (AP-to-BL) were calculated. In Caco-2 cell model, comparing the amounts of transport of AP-to-BL and BL-to-AP, the latter was larger. At the same donor concentration, either the amounts of transport of AP-to-BL or BL-to-AP increased with increase in donor concentration and incubation time. Verapamil could significantly improve the amounts of transport of AP-to-BL. The transport of AP-to-BL and BL-to-AP depended on temperature, and there was no significant effect of pH on the transport of AP-to-BL. Magnolol could be transported through the intestinal mucosa via a passive diffusion mechanism primarily, coexisting with a carrier-mediated transport, at the same time, the efflux mechanism could be involved.

Nanophotonic Hot Electron Solar-Blind Ultraviolet Detectors with a Metal-Oxide-Semiconductor Structure

NASA Astrophysics Data System (ADS)

Wang, Zhiyuan

Solar-blind ultraviolet detection refers to photon detection specifically in the wavelength range of 200 nm to 320 nm. Without background noises from solar radiation, it has broad applications from homeland security to environmental monitoring. In this thesis, we design and fabricate a nanophotonic metal-oxide-semiconductor device for solar-blind UV detection. Instead of using semiconductors as the active absorber, we use metal Sn nano- grating structures to absorb UV photons and generate hot electrons for internal photoemission across the Sn/SiO 2 interfacial barrier, thereby generating photocurrent between metal and semiconductor region upon UV excitation. The large metal/oxide interfacial energy barrier enables solar-blind UV detection by blocking the less energetic electrons excited by visible photons. With optimized design, 85% UV absorption and hot electron excitation can be achieved within the mean free path of 20 nm from the metal/oxide interface. This feature greatly enhances hot electron transport across the interfacial barrier to generate photocurrent. Various fabrication techniques have been developed for preparing nano gratings. For nominally 20 nm-thick deposited Sn, the self- formed pseudo-periodic nanostructure help achieve 75% UV absorption from lambda=200 nm to 300 nm. With another layer of nominally 20 nm-thick Sn, similar UV absorption is maintained while conductivity is improved, which is beneficial for overall device efficiency. The Sn/SiO2/Si MOS devices show good solar-blind character while achieving 13% internal quantum efficiency for 260 nm UV with only 20 nm-thick Sn and some devices demonstrate much higher (even >100%) internal quantum efficiency. While a more accurate estimation of device effective area is needed for proving our calculation, these results indeed show a great potential for this type of hot-electron-based photodetectors and for Sn nanostructure as an effective UV absorber. The simple geometry of the self- assembled Sn nano-gratings and MOS structure make this novel type of device easy to fabricate and integrate with Si ROICs compared to existing solar-blind UV detection schemes. The presented device structure also breaks through the conventional notion that photon absorption by metal is always a loss in solid-state photodetectors, and it can potentially be extended to other active metal photonic devices.

Spectroscopic Studies of Abiotic and Biological Nanomaterials: Silver Nanoparticles, Rhodamine 6G Adsorbed on Graphene, and c-Type Cytochromes and Type IV Pili in Geobacter sulfurreducens

NASA Astrophysics Data System (ADS)

Thrall, Elizabeth S.

This thesis describes spectroscopic studies of three different systems: silver nanoparticles, the dye molecule rhodamine 6G adsorbed on graphene, and the type IV pili and c-type cytochromes produced by the dissimilatory metal-reducing bacterium Geobacter sulfurreducens. Although these systems are quite different in some ways, they can all be considered examples of nanomaterials. A nanomaterial is generally defined as having at least one dimension below 100 nm in size. Silver nanoparticles, with sub-100 nm size in all dimensions, are examples of zero-dimensional nanomaterials. Graphene, a single atomic layer of carbon atoms, is the paradigmatic two-dimensional nanomaterial. And although bacterial cells are on the order of 1 μm in size, the type IV pili and multiheme c-type cytochromes produced by G. sulfurreducens can be considered to be one- and zero-dimensional nanomaterials respectively. A further connection between these systems is their strong interaction with visible light, allowing us to study them using similar spectroscopic tools. The first chapter of this thesis describes research on the plasmon-mediated photochemistry of silver nanoparticles. Silver nanoparticles support coherent electron oscillations, known as localized surface plasmons, at resonance frequencies that depend on the particle size and shape and the local dielectric environment. Nanoparticle absorption and scattering cross-sections are maximized at surface plasmon resonance frequencies, and the electromagnetic field is amplified near the particle surface. Plasmonic effects can enhance the photochemistry of silver particles alone or in conjunction with semiconductors according to several mechanisms. We study the photooxidation of citrate by silver nanoparticles in a photoelectrochemical cell, focusing on the wavelength-dependence of the reaction rate and the role of the semiconductor substrate. We find that the citrate photooxidation rate does not track the plasmon resonance of the silver nanoparticles but instead rises monotonically with photon energy. These results are discussed in terms of plasmonic enhancement mechanisms and a theoretical model describing hot carrier photochemistry. The second chapter explores the electronic absorption and resonance Raman scattering of the dye molecule rhodamine 6G (R6G) adsorbed on graphene. Graphene has been shown to quench the fluorescence of adsorbed molecules and quantum dots, and some previous studies have reported that the Raman scattering from molecules adsorbed on graphene is enhanced. We show that reflective contrast spectroscopy can be used to obtain the electronic absorption spectrum of R6G adsorbed on graphene, allowing us to estimate the surface concentration of the dye molecule. From these results we are able to calculate the absolute Raman scattering cross-section for R6G adsorbed on bilayer graphene. We find that there is no evidence of enhancement but instead that the cross-section is reduced by more than three-fold from its value in solution. We further show that a model incorporating electromagnetic interference effects can reproduce the observed dependence of the R6G Raman intensity on the number of graphene layers. The third and final chapter describes the preliminary results from studies of the dissimilatory metal-reducing bacterium Geobacter sulfurreducens . This anaerobic bacterium couples the oxidation of organic carbon sources to the reduction of iron oxides and other extracellular electron acceptors, a type of anaerobic respiration that necessitates an electron transport chain that can move electrons from the interior of the cell to the extracellular environment. The electron transport chain in G. sulfurreducens has not been completely characterized and two competing mechanisms for the charge transport have been proposed. The first holds that G. sulfurreducens produces type IV pili, protein filaments several nanometers in width, with intrinsic metallic-like conductivity. According to this mechanism, the conductive pili mediate electron transport to extracellular acceptors. The second proposed mechanism is that charge transport proceeds by electron hopping between the heme groups in the many c-type cytochromes produced by G. sulfurreducens. In this picture, the observed conductivity of the pili is due to hopping through associated cytochrome proteins. Our aim is to explore these alternative mechanisms for electron transport in G. sulfurreducens through electrical and optical studies. We report the work we have done thus far to culture and characterize G. sulfurreducens , and we show that preliminary micro-Raman studies of G. sulfurreducens cells confirm that we can detect the spectroscopic signature of c-type cytochrome proteins. Future directions for this ongoing work are briefly discussed.

Transporters for the Intestinal Absorption of Cholesterol, Vitamin E, and Vitamin K

PubMed Central

Yamanashi, Yoshihide; Kurauchi, Ryoya; Tanaka, Yusuke; Komine, Toko; Suzuki, Hiroshi

2017-01-01

Humans cannot synthesize fat-soluble vitamins such as vitamin E and vitamin K. For this reason, they must be obtained from the diet via intestinal absorption. As the deficiency or excess of these vitamins has been reported to cause several types of diseases and disorders in humans, the intestinal absorption of these nutrients must be properly regulated to ensure good health. However, the mechanism of their intestinal absorption remains poorly understood. Recent studies on cholesterol using genome-edited mice, genome-wide association approaches, gene mutation analyses, and the development of cholesterol absorption inhibitors have revealed that several membrane proteins play crucial roles in the intestinal absorption of cholesterol. Surprisingly, detailed analyses of these cholesterol transporters have revealed that they can also transport vitamin E and vitamin K, providing clues to uncover the molecular mechanisms underlying the intestinal absorption of these fat-soluble vitamins. In this review, we focus on the membrane proteins (Niemann-Pick C1 like 1, scavenger receptor class B type I, cluster of differentiation 36, and ATP-binding cassette transporter A1) that are (potentially) involved in the intestinal absorption of cholesterol, vitamin E, and vitamin K and discuss their physiological and pharmacological importance. We also discuss the related uncertainties that need to be explored in future studies. PMID:28100881

Transporters for the Intestinal Absorption of Cholesterol, Vitamin E, and Vitamin K.

PubMed

Yamanashi, Yoshihide; Takada, Tappei; Kurauchi, Ryoya; Tanaka, Yusuke; Komine, Toko; Suzuki, Hiroshi

2017-04-03

Humans cannot synthesize fat-soluble vitamins such as vitamin E and vitamin K. For this reason, they must be obtained from the diet via intestinal absorption. As the deficiency or excess of these vitamins has been reported to cause several types of diseases and disorders in humans, the intestinal absorption of these nutrients must be properly regulated to ensure good health. However, the mechanism of their intestinal absorption remains poorly understood. Recent studies on cholesterol using genome-edited mice, genome-wide association approaches, gene mutation analyses, and the development of cholesterol absorption inhibitors have revealed that several membrane proteins play crucial roles in the intestinal absorption of cholesterol. Surprisingly, detailed analyses of these cholesterol transporters have revealed that they can also transport vitamin E and vitamin K, providing clues to uncover the molecular mechanisms underlying the intestinal absorption of these fat-soluble vitamins. In this review, we focus on the membrane proteins (Niemann-Pick C1 like 1, scavenger receptor class B type I, cluster of differentiation 36, and ATP-binding cassette transporter A1) that are (potentially) involved in the intestinal absorption of cholesterol, vitamin E, and vitamin K and discuss their physiological and pharmacological importance. We also discuss the related uncertainties that need to be explored in future studies.

Tracking the ultrafast XUV optical properties of x-ray free-electron-laser heated matter with high-order harmonics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Williams, Gareth O.; Künzel, S.; Daboussi, S.

We present measurements of photon absorption by free electrons as a solid is transformed to plasma. A femtosecond x-ray free-electron laser is used to heat a solid, which separates the electron and ion heating time scales. The changes in absorption are measured with an independent probe pulse created through high-order-harmonic generation. We find an increase in electron temperature to have a relatively small impact on absorption, contrary to several predictions, whereas ion heating increases absorption. Here, we compare the data to current theoretical and numerical approaches and find that a smoother electronic structure yields a better fit to the data,more » suggestive of a temperature-dependent electronic structure in warm dense matter.« less

Tracking the ultrafast XUV optical properties of x-ray free-electron-laser heated matter with high-order harmonics

DOE PAGES

Williams, Gareth O.; Künzel, S.; Daboussi, S.; ...

2018-02-14

We present measurements of photon absorption by free electrons as a solid is transformed to plasma. A femtosecond x-ray free-electron laser is used to heat a solid, which separates the electron and ion heating time scales. The changes in absorption are measured with an independent probe pulse created through high-order-harmonic generation. We find an increase in electron temperature to have a relatively small impact on absorption, contrary to several predictions, whereas ion heating increases absorption. Here, we compare the data to current theoretical and numerical approaches and find that a smoother electronic structure yields a better fit to the data,more » suggestive of a temperature-dependent electronic structure in warm dense matter.« less

Time-dependent upregulation of electron transport with concomitant induction of regulated excitation dissipation in Haslea diatoms.

PubMed

Perkins, R; Williamson, C; Lavaud, J; Mouget, J-L; Campbell, D A

2018-04-16

Photoacclimation by strains of Haslea "blue" diatom species H. ostrearia and H. silbo sp. nov. ined. was investigated with rapid light curves and induction-recovery curves using fast repetition rate fluorescence. Cultures were grown to exponential phase under 50 µmol m -2  s -1 photosynthetic available radiation (PAR) and then exposed to non-sequential rapid light curves where, once electron transport rate (ETR) had reached saturation, light intensity was decreased and then further increased prior to returning to near growth light intensity. The non-sequential rapid light curve revealed that ETR was not proportional to the instantaneously applied light intensity, due to rapid photoacclimation. Changes in the effective absorption cross sections for open PSII reaction centres (σ PSII ') or reaction centre connectivity (ρ) did not account for the observed increases in ETR under extended high light. σ PSII ' in fact decreased as a function of a time-dependent induction of regulated excitation dissipation Y(NPQ), once cells were at or above a PAR coinciding with saturation of ETR. Instead, the observed increases in ETR under extended high light were explained by an increase in the rate of PSII reopening, i.e. Q A - oxidation. This acceleration of electron transport was strictly light dependent and relaxed within seconds after a return to low light or darkness. The time-dependent nature of ETR upregulation and regulated NPQ induction was verified using induction-recovery curves. Our findings show a time-dependent induction of excitation dissipation, in parallel with very rapid photoacclimation of electron transport, which combine to make ETR independent of short-term changes in PAR. This supports a selective advantage for these diatoms when exposed to fluctuating light in their environment.

L-tryptophan-induced electron transport across supported lipid bilayers: an alkyl-chain tilt-angle, and bilayer-symmetry dependence.

PubMed

Sarangi, Nirod Kumar; Patnaik, Archita

2012-12-21

Molecular orientation-dependent electron transport across supported 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) lipid bilayers (SLBs) on semiconducting indium tin oxide (ITO) is reported with an aim towards potential nanobiotechnological applications. A bifunctional strategy is adopted to form symmetric and asymmetric bilayers of DPPC that interact with L-tryptophan, and are analyzed by surface manometry and atomic force microscopy. Polarization-dependent real-time Fourier transform infrared reflection absorption spectroscopy (FT-IRRAS) analysis of these SLBs reveals electrostatic, hydrogen-bonding, and cation-π interactions between the polar head groups of the lipid and the indole side chains. Consequently, a molecular tilt arises from the effective interface dipole, facilitating electron transport across the ITO-anchored SLBs in the presence of an internal Fe(CN)(6)(4-/3-) redox probe. The incorporation of tryptophan enhances the voltammetric features of the SLBs. The estimated electron-transfer rate constants for symmetric and asymmetric bilayers (k(s) = 2.0×10(-2) and 2.8×10(-2) s(-1)) across the two-dimensional (2D) ordered DPPC/tryptophan SLBs are higher compared to pure DPPC SLBs (k(s) = 3.2×10(-3) and 3.9×10(-3) s(-1)). In addition, they are molecular tilt-dependent, as it is the case with the standard apparent rate constants k(app)(0), estimated from electrochemical impedance spectroscopy and bipotentiostatic experiments with a Pt ultramicroelectrode. Lower magnitudes of k(s) and k(app)(0) imply that electrochemical reactions across the ITO-SLB electrodes are kinetically limited and consequently governed by electron tunneling across the SLBs. Standard theoretical rate constants (k(th)(0)) accrued upon electron tunneling comply with the potential-independent electron-tunneling coefficient β = 0.15 Å(-1). Insulator-semiconductor transitions moving from a liquid-expanded to a condensed 2D-phase state of the SLBs are noted, adding a new dimension to their transport behavior. These results highlight the role of tryptophan in expediting electron transfer across lipid bilayer membranes in a cellular environment and can provide potential clues towards patterned lipid nanocomposites and devices. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Optoelectronic properties of dicyanofluorene-based n-type polymers.

PubMed

Vijayakumar, Chakkooth; Saeki, Akinori; Seki, Shu

2012-08-01

Three new donor-acceptor-type copolymers (P1-P3) consisting of dicyanofluorene as acceptor and various donor moieties were designed and synthesized. Optoelectronic properties were studied in detail by means of UV-visible absorption and fluorescence spectroscopy, cyclic voltammetry, space-charge-limited current (SCLC), flash-photolysis time-resolved microwave conductivity (FP-TRMC), and density functional theory (DFT). All polymers showed strong absorption in the UV-visible region and the absorption maximum undergoes redshift with an increasing number of thiophene units in the polymer backbone. SCLC analysis showed that the electron mobilities of the polymers in the bulk state were 1 to 2 orders higher than that of the corresponding hole mobilities, which indicated the n-type nature of the materials. By using FP-TRMC, the intrapolymer charge-carrier mobility was assessed and compared with the interpolymer mobility obtained by SCLC. The polymers exhibited good electron-accepting properties sufficiently high enough to oxidize the excited states of regioregular poly(3-hexylthiophene) (P3HT (donor)), as evident from the FP-TRMC analysis. The P3 polymer exhibited the highest FP-TRMC transients in the pristine form as well as when blended with P3HT. Use of these polymers as n-type materials in all-polymer organic solar cells was also explored in combination with P3HT. In accordance with the TRMC results, P3 exhibited superior electron-transport and photovoltaic properties to the other two polymers, which is explained by the distribution of the energy levels of the polymers by using DFT calculations. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Calculation tool for transported geothermal energy using two-step absorption process

DOE Data Explorer

Kyle Gluesenkamp

2016-02-01

This spreadsheet allows the user to calculate parameters relevant to techno-economic performance of a two-step absorption process to transport low temperature geothermal heat some distance (1-20 miles) for use in building air conditioning. The parameters included are (1) energy density of aqueous LiBr and LiCl solutions, (2) transportation cost of trucking solution, and (3) equipment cost for the required chillers and cooling towers in the two-step absorption approach. More information is available in the included public report: "A Technical and Economic Analysis of an Innovative Two-Step Absorption System for Utilizing Low-Temperature Geothermal Resources to Condition Commercial Buildings"

Calculation of Vibrational and Electronic Excited-State Absorption Spectra of Arsenic-Water Complexes Using Density Functional Theory

DTIC Science & Technology

2016-06-03

Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--16-9681 Calculation of Vibrational and Electronic Excited-State Absorption Spectra...NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Calculation of Vibrational and Electronic Excited-State Absorption Spectra of Arsenic-Water Complexes Using...Unclassified Unlimited Unclassified Unlimited 59 Samuel G. Lambrakos (202) 767-2601 Calculations are presented of vibrational and electronic excited-state

Defect related electrical and optical properties of AlN bulk crystals grown by physical vapor transport

NASA Astrophysics Data System (ADS)

Irmscher, Klaus

AlN crystallizes thermodynamically stable in the wurtzite structure and possesses a direct band gap of about 6 eV. It is the ideal substrate for the epitaxial growth of Al-rich AlxGa1-xN films that enable deep ultraviolet (UV) emitters. Appropriate AlN bulk crystals can be grown by physical vapor transport (PVT). Besides high structural perfection, such substrate crystals should be highly UV transparent and ideally, electrically conductive. It is well known that point defects like impurities and intrinsic defects may introduce electronic energy levels within the bandgap, which lead to additional optical absorption or electrical compensation. Among the impurities, which may be incorporated into the AlN crystals during PVT growth at well above 2000 ° C, oxygen, carbon, and silicon play the major role. Based on our own experimental data as well as on experimental and theoretical results reported in literature, we discuss energy levels, charge states and possible negative-U behavior of these impurities and of vacancy-type defects. In particular, we develop a model that explains the absorption behavior of the crystals in dependence on the Fermi level that can be controlled by the growth conditions, including intentional doping. Further, we pay attention on spectroscopic investigations giving direct evidence for the chemical nature and atomic arrangement of the involved point defects. As examples local vibrational mode (LVM) spectroscopy of carbon related defects and recent reports of electron paramagnetic resonance (EPR) spectroscopy are discussed.

Study of structural, electronic and optical properties of tungsten doped bismuth oxychloride by DFT calculations.

PubMed

Yang, Wenjuan; Wen, Yanwei; Chen, Rong; Zeng, Dawen; Shan, Bin

2014-10-21

First-principle calculations have been carried out to investigate structural stabilities, electronic structures and optical properties of tungsten doped bismuth oxychloride (BiOCl). The structures of substitutional and interstitial tungsten, and in the form of WO6-ligand-doped BiOCl are examined. The substitutional and interstitial tungsten doping leads to discrete midgap states within the forbidden band gap, which has an adverse effect on the photocatalytic properties. On the other hand, the WO6-ligand-doped BiOCl structure induces a continuum of hybridized states in the forbidden gap, which favors transport of electrons and holes and could result in enhancement of visible light activity. In addition, the band gap of WO6-BiOCl decreases by 0.25 eV with valence band maximum (VBM) shifting upwards compared to that of pure BiOCl. By calculating optical absorption spectra of pure BiOCl and WO6-ligand-doped BiOCl structure, it is found that the absorption peak of the WO6-ligand-doped BiOCl structure has a red shift towards visible light compared with that of pure BiOCl, which agrees well with experimental observations. These results reveal the tungsten doped BiOCl system as a promising material in photocatalytic decomposition of organics and water splitting under sunlight irradiation.

Investigation of Transport Properties of a New Biomaterials - GUM Mangosteen

NASA Astrophysics Data System (ADS)

Pradhan, Sourav S.; Sarkar, A.

2006-06-01

Biomaterial has occupied leading position in material science for various scientific and technological applications. This present work is carried out over a natural gum extracted from raw fruit of Mangosteen, an east Indian tree (Gercinia Mangostana) following extraction and purification process. Solid specimen of the said gum is developed following sol-gel like process. AC and DC electrical analysis on the dried solid specimen of the gum were carried out and showed high electrical conduction with σ ~ 1 E-03 S/cm, of which ionic and electronic contributions are 70% and 30% respectively. Analysis shows that origin of high electrical conductivity is due to presence of substantial amount of organic acid unit in its polysaccharide background. In fact the observed σ is about 1000 times of that observed in gum Arabica. Optical absorption of this new bio- materials are also studied using UV-VIS analysis. The results show its high absorption co-efficient in UV and blue part of analysed range. A complete electrical characterization of the material have been made. It has also been observed that the electronic conduction can be enhanced to 70% of the total electrical conductivity by forming complex with Iodine and organic (Citric) acid from Lemon fruit. This high potential material is being studied for development of electronic device application.

Backscattering and absorption coefficients for electrons: Solutions of invariant embedding transport equations using a method of convergence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Figueroa, C.; Brizuela, H.; Heluani, S. P.

2014-05-21

The backscattering coefficient is a magnitude whose measurement is fundamental for the characterization of materials with techniques that make use of particle beams and particularly when performing microanalysis. In this work, we report the results of an analytic method to calculate the backscattering and absorption coefficients of electrons in similar conditions to those of electron probe microanalysis. Starting on a five level states ladder model in 3D, we deduced a set of integro-differential coupled equations of the coefficients with a method know as invariant embedding. By means of a procedure proposed by authors, called method of convergence, two types ofmore » approximate solutions for the set of equations, namely complete and simple solutions, can be obtained. Although the simple solutions were initially proposed as auxiliary forms to solve higher rank equations, they turned out to be also useful for the estimation of the aforementioned coefficients. In previous reports, we have presented results obtained with the complete solutions. In this paper, we present results obtained with the simple solutions of the coefficients, which exhibit a good degree of fit with the experimental data. Both the model and the calculation method presented here can be generalized to other techniques that make use of different sorts of particle beams.« less

Optically induced lattice deformations, electronic structure changes, and enhanced superconductivity in YBa 2Cu 3O 6.48

DOE PAGES

Mankowsky, R.; Fechner, M.; Forst, M.; ...

2017-02-28

Resonant optical excitation of apical oxygen vibrational modes in the normal state of underdoped YBa 2Cu 3O 6+x induces a transient state with optical properties similar to those of the equilibrium superconducting state. Amongst these, a divergent imaginary conductivity and a plasma edge are transiently observed in the photo-stimulated state. Femtosecond hard x-ray diffraction experiments have been used in the past to identify the transient crystal structure in this non-equilibrium state. Here, we start from these crystallographic features and theoretically predict the corresponding electronic rearrangements that accompany these structural deformations. Using density functional theory, we predict enhanced hole-doping of themore » CuO 2 planes. The empty chain Cu dy2-z2 orbital is calculated to strongly reduce in energy, which would increase c-axis transport and potentially enhance the interlayer Josephson coupling as observed in the THz-frequency response. From these results, we calculate changes in the soft x-ray absorption spectra at the Cu L-edge. As a result, femtosecond x-ray pulses from a free electron laser are used to probe changes in absorption at two photon energies along this spectrum and provide data consistent with these predictions.« less

Counter anion effect on structural, opto-electronic and charge transport properties of fused π-conjugated imidazolium compound

NASA Astrophysics Data System (ADS)

Vinodha, M.; Senthilkumar, K.

2018-05-01

The structure-activity relationship of fused π-conjugated imidazolium cation with three counter anion molecules, BF4-, CF3SO3- and (CF3SO2)2N-, was studied using electronic structure calculations. The structural, opto-electronic and charge transport properties of these complexes were studied. The charge transfer from π-conjugated imidazolium(I) to counter anion was confirmed in all the studied complexes. Interaction energy varies significantly depending on the counter anion and the stability was found higher for I-BF4 complex than both I-CF3SO3 and I-(CF3SO2)2N complexes. The strong (C-H)+...F- hydrogen bond of length 1.95 Å between fused π-conjugated imidazolium and BF-4 anion is the driving force for the strongest interaction energy in I-BF4 complex. The energy decomposition analysis confirms that the interaction between imidazolium and counter anion is mainly driven by electrostatic and orbital interaction. It has been observed that the absorption spectra of the complex are independent of anion nature but the influence of anion character is observed on frontier molecular orbital pattern. The charge transport property of I-BF4 complex was studied by using tight-binding Hamiltonian approach and found that the hole mobility in I-BF4 is 1.13 × 10-4 cm2 V-1 s-1.

Composition dependence of electronic, magnetic, transport and morphological properties of mixed valence manganite thin films

DOE PAGES

Singh, Surendra; Freeland, J. W.; Fitzsimmons, Michael R.; ...

2016-07-27

Mixed-valence manganese oxides present striking properties like the colossal magnetoresistance, metal-insulator transition (MIT) that may result from coexistence of ferromagnetic, metallic and insulating phases. Percolation of such phase coexistence in the vicinity of MIT leads to first-order transition in these manganites. However the length scales over which the electronic and magnetic phases are separated across MIT which appears compelling for bulk systems has been elusive in (La 1-yPr y) 1-xCaxMnO 3 films. Here we show the in-plane length scale over which charge and magnetism are correlated in (La 0.4Pr 0.6) 1-xCaxMnO3 films with x = 0.33 and 0.375, across themore » MIT temperature. We combine electrical transport (resistance) measurements, x-ray absorption spectroscopy (XAS), x-ray magnetic circular dichroism (XMCD), and specular/off-specular x-ray resonant magnetic scattering (XRMS) measurements as a function of temperature to elucidate relationships between electronic, magnetic and morphological structure of the thin films. Using off-specular XRMS we obtained the charge-charge and charge-magnetic correlation length of these LPCMO films across the MIT. We observed different charge-magnetic correlation length for two films which increases below the MIT. The different correlation length shown by two films may be responsible for different macroscopic (transport and magnetic) properties.« less

Enhanced Charge Carrier Transport and Device Performance Through Dual-Cesium Doping in Mixed-Cation Perovskite Solar Cells with Near Unity Free Carrier Ratios.

PubMed

Ye, Tao; Petrović, Miloš; Peng, Shengjie; Yoong, Jeremy Lee Kong; Vijila, Chellappan; Ramakrishna, Seeram

2017-01-25

PbI 2 -enriched mixed perovskite film [FA 0.81 MA 0.15 Pb(I 0.836 Br 0.15 ) 3 ] has been widely studied due to its great potential in perovskite solar cell (PSC) applications. Herein, a FA 0.81 MA 0.15 Pb(I 0.836 Br 0.15 ) 3 film has been fabricated with the temperature-dependent optical absorption spectra utilized to determine its exciton binding energy. A ∼13 meV exciton binding energy is estimated, and a near-unity fraction of free carriers out of the total photoexcitons has been obtained in the solar cell operating regime at equilibrium state. PSCs are fabricated with this mixed perovskite film, but a significant electron transport barrier at the TiO 2 -perovskite interface limited their performance. Cs 2 CO 3 and CsI are then utilized as functional enhancers with which to substantially balance the electron and hole transport and increase the carriers (both electrons and holes) mobilities in PSCs, resulting in much-improved solar-cell performance. The modified PSCs exhibit reproducible power conversion efficiency (PCE) values with little hysteresis effect in the J-V curves, achieving PCEs up to 19.5% for the Cs 2 CO 3 -modified PSC and 20.6% when subsequently further doped with CsI.

Effect of structural modification of α-aminoxy peptides on their intestinal absorption and transport mechanism.

PubMed

Ma, Bin; Zha, Huiyan; Li, Na; Yang, Dan; Lin, Ge

2011-08-01

A representative α-aminoxy peptide 1 has been demonstrated to have a potential for the treatment of human diseases associated with Cl(-) channel dysfunctions. However, its poor intestinal absorption was determined. The purpose of this study was to delineate the transport mechanism responsible for its poor absorption and also to prepare peptide analogues by structural modifications of 1 at its isobutyl side chains without changing the α-aminoxy core for retaining biological activity to improve the intestinal absorption. The poor intestinal absorption of 1 was proved to be due to the P-glycoprotein (P-gp) mediated efflux transport in Caco-2 cell monolayer, intestinal segments in Ussing chamber and rat single pass intestinal perfusion models. Four analogues with propionic acid (2), butanamine (3), methyl (4) and hydroxymethyl side chains (5) were synthesized and tested using the same models. Except for the permeability of 2, the absorbable permeability of the modified peptides in Caco-2 cell monolayer and their intestinal absorption in rats were significantly improved to 7-fold (3), 4-fold (4), 11-fold (5) and 36-fold (2), 42-fold (3), 55-fold (4), 102-fold (5), respectively, compared with 1 (P(app), 0.034 ± 0.003 × 10(-6) cm/s; P(blood), 1.61 ± 0.807 × 10(-6) cm/s). More interestingly, the structural modification remarkably altered transport mechanism of the peptides, leading to the conversion of the active transport via P-gp mediation (1, 2), to MRP mediation (3), MRP plus BCRP mediation (4) or a passive diffusion (5). Furthermore, P-gp mediated efflux transport of 1 and 2 was demonstrated to not alter the P-gp expression, while 1 but not 2 exhibited uncompetitive inhibitory effect on P-gp ATPase. The results demonstrated that intestinal absorption and transport mechanism of the α-aminoxy peptides varied significantly with different structures, and their absorption can be dramatically improved by structural modifications, which allow us to further design and prepare better α-aminoxy peptide candidates with appropriate pharmacokinetic fates, including intestinal absorption, for potential clinical use.

Drift-resonant, relativistic electron acceleration at the outer planets: Insights from the response of Saturn's radiation belts to magnetospheric storms

NASA Astrophysics Data System (ADS)

Roussos, E.; Kollmann, P.; Krupp, N.; Paranicas, C.; Dialynas, K.; Sergis, N.; Mitchell, D. G.; Hamilton, D. C.; Krimigis, S. M.

2018-05-01

The short, 7.2-day orbital period of Cassini's Ring Grazing Orbits (RGO) provided an opportunity to monitor how fast the effects of an intense magnetospheric storm-time period (days 336-343/2016) propagated into Saturn's electron radiation belts. Following the storms, Cassini's MIMI/LEMMS instrument detected a transient extension of the electron radiation belts that in subsequent orbits moved towards the inner belts, intensifying them in the process. This intensification was followed by an equally fast decay, possibly due to the rapid absorption of MeV electrons by the planet's main rings. Surprisingly, all this cycle was completed within four RGOs, effectively in less than a month. That is considerably faster than the year-long time scales of Saturn's proton radiation belt evolution. In order to explain this difference, we propose that electron radial transport is partly controlled by the variability of global scale electric fields which have a fixed local time pointing. Such electric fields may distort significantly the orbits of a particular class of energetic electrons that cancel out magnetospheric corotation due to their westward gradient and curvature drifts (termed "corotation-resonant" or "local-time stationary" electrons) and transport them radially between the ring current and the radiation belts within several days and few weeks. The significance of the proposed process is highlighted by the fact that corotation resonance at Saturn occurs for electrons of few hundred keV to several MeV. These are the characteristic energies of seed electrons from the ring current that sustain the radiation belts of the planet. Our model's feasibility is demonstrated through the use of a simple test-particle simulation, where we estimate that uniform but variable electric fields with magnitudes lower that 1.0 mV/m can lead to a very efficient transport of corotation resonant electrons. Such electric fields have been consistently measured in the magnetosphere, and here we provide additional evidence showing that they may be constantly present all the way down to the outer edge of Saturn's main rings, further supporting our model. The implications of our findings are not limited to Saturn. Corotation resonance at Jupiter occurs for electrons with energies above about 10 MeV throughout the quasi-dipolar, energetic particle-trapping region of the magnetosphere. The proposed process could in principle then lead to rapid transport and adiabatic acceleration electrons into ultra-relativistic energies. The observation by Galileo's EPD/LEMMS instrument of an intense Jovian acceleration event at the orbital distance of Ganymede during the mission's C22 orbit, when > 11 MeV electron fluxes were preferentially enhanced, provides additional support to our transport model and insights on the origin of that orbit's extreme energetic electron environment. Finally, if the mode of radial transport that we describe here is a dominant one, radial diffusion coefficients (DLL) would be subject to strong energy, pitch angle and species dependencies.

Modulating effect of polyethylene glycol on the intestinal transport and absorption of prednisolone, methylprednisolone and quinidine in rats by in-vitro and in-situ absorption studies.

PubMed

Shen, Qi; Li, Wenji; Lin, Yulian; Katsumi, Hidemasa; Okada, Naoki; Sakane, Toshiyasu; Fujita, Takuya; Yamamoto, Akira

2008-12-01

The effects of polyethylene glycol 20000 (PEG 20000) on the intestinal absorption of prednisolone, methylprednisolone and quinidine, three P-glycoprotein (P-gp) substrates, across the isolated rat intestinal membranes were examined by an in-vitro diffusion chamber system. The serosal-to-mucosal (secretory) transport of these P-gp substrates was greater than their mucosal-to-serosal (absorptive) transport, indicating that their net movement across the intestinal membranes was preferentially in the secretory direction. The polarized secretory transport of these drugs was remarkably diminished and their efflux ratios decreased in the presence of PEG 20000. In addition, PEG 20000 did not affect the transport of Lucifer yellow, a non-P-gp substrate. The intestinal membrane toxicity of PEG 20000 was evaluated by measuring the release of alkaline phosphatase (ALP) and protein from the intestinal membranes. The release of ALP and protein was enhanced in the presence of 20 mM sodium deoxycholate (NaDC), a positive control, while these biological parameters did not change in the presence of 0.1-5% (w/v) PEG 20000. These findings indicated that the intestinal membrane damage caused by PEG 20000 was not a main reason for the enhanced absorptive transport of these P-gp substrates in the presence of PEG 20000. Furthermore, the transepithelial electrical resistance (TEER) of rat jejunal membranes in the presence or absence of PEG 20000 was measured by a diffusion chamber method. PEG 20000 (0.1-5.0 % w/v) did not change the TEER values of the rat jejunal membranes, indicating that the increase in the absorptive transport of these P-gp substrates might not be due to the increased transport of these P-gp substrates via a paracellular pathway caused by PEG 20000. Finally, the effect of PEG 20000 on the intestinal absorption of quinidine was examined by an in-situ closed-loop method. The intestinal absorption of quinidine was significantly enhanced in the presence of 0.1-1.0% (w/v) PEG 20000. These findings suggest that PEG 20000 might be a useful excipient to improve the intestinal absorption of quinidine, which is mainly secreted by a P-gp-mediated efflux system in the intestine.

Optical and structural properties of carbon dots/TiO2 nanostructures prepared via DC arc discharge in liquid

NASA Astrophysics Data System (ADS)

Biazar, Nooshin; Poursalehi, Reza; Delavari, Hamid

2018-01-01

Synthesis and development of visible active catalysts is an important issue in photocatalytic applications of nanomaterials. TiO2 nanostructures coupled with carbon dots demonstrate a considerable photocatalytic activity in visible wavelengths. Extending optical absorption of a wide band gap semiconductor such as TiO2 with carbon dots is the origin of the visible activity of carbon dots modified semiconductor nanostructures. In addition, carbon dots exhibit high photostability, appropriate electron transport and chemical stability without considerable toxicity or environmental footprints. In this study, optical and structural properties of carbon dots/TiO2 nanostructures prepared via (direct current) DC arc discharge in liquid were investigated. Crystal structure, morphology and optical properties of the samples were studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), and UV-visible spectroscopy respectively. SEM images show formation of spherical nanoparticles with an average size of 27 nm. In comparison with pristine TiO2, optical transmission spectrum of carbon dots/TiO2 nanostructures demonstrates an absorption edge at longer wavelengths as well a high optical absorption in visible wavelengths which is significant for visible activity of nanostructures as a photocatalyst. Finally, these results can provide a flexible and versatile pathway for synthesis of carbon dots/oxide semiconductor nanostructures with an appropriate activity under visible light.

In-Situ Probing Plasmonic Energy Transfer in Cu(In, Ga)Se2 Solar Cells by Ultrabroadband Femtosecond Pump-Probe Spectroscopy.

PubMed

Chen, Shih-Chen; Wu, Kaung-Hsiung; Li, Jia-Xing; Yabushita, Atsushi; Tang, Shih-Han; Luo, Chih Wei; Juang, Jenh-Yih; Kuo, Hao-Chung; Chueh, Yu-Lun

2015-12-18

In this work, we demonstrated a viable experimental scheme for in-situ probing the effects of Au nanoparticles (NPs) incorporation on plasmonic energy transfer in Cu(In, Ga)Se2 (CIGS) solar cells by elaborately analyzing the lifetimes and zero moment for hot carrier relaxation with ultrabroadband femtosecond pump-probe spectroscopy. The signals of enhanced photobleach (PB) and waned photoinduced absorption (PIA) attributable to surface plasmon resonance (SPR) of Au NPs were in-situ probed in transient differential absorption spectra. The results suggested that substantial carriers can be excited from ground state to lower excitation energy levels, which can reach thermalization much faster with the existence of SPR. Thus, direct electron transfer (DET) could be implemented to enhance the photocurrent of CIGS solar cells. Furthermore, based on the extracted hot carrier lifetimes, it was confirmed that the improved electrical transport might have been resulted primarily from the reduction in the surface recombination of photoinduced carriers through enhanced local electromagnetic field (LEMF). Finally, theoretical calculation for resonant energy transfer (RET)-induced enhancement in the probability of exciting electron-hole pairs was conducted and the results agreed well with the enhanced PB peak of transient differential absorption in plasmonic CIGS film. These results indicate that plasmonic energy transfer is a viable approach to boost high-efficiency CIGS solar cells.

Quantum quench of Kondo correlations in optical absorption

NASA Astrophysics Data System (ADS)

Weichselbaum, Andreas

2013-03-01

Absorption spectra of individual semiconductor quantum dots tunnel-coupled to a degenerate electron gas in the Kondo regime have recently become accessible to the experiment. The absorption of a single photon leads to an abrupt change in the system Hamiltonian, which can be tailored such that it results in a quantum quench of the Kondo correlations. This is accompanied by a clear signature in the form of an Anderson orthogonality catastrophe, induced by a vanishing overlap between initial and final many-body wave functions and with power-law exponents that can be tuned by an applied magnetic field. We have modeled the experiment in terms of an Anderson impurity model undergoing an optically induced quench, and studied this Kondo exciton in detail using both analytical methods and the Numerical Renormalization Group (NRG). Our NRG results reproduce the measured absorption line shapes very well, showing that NRG is ideally suited for the study of Kondo excitons. In summary, the experiments demonstrate that optical measurements on single artificial atoms offer new perspectives on many-body phenomena previously studied using transport spectroscopy only. Co-authors: Andreas Weichselbaum, Markus Hanl, and Jan von Delft, Ludwig Maximilians University.

Potential-dependent recombination kinetics of photogenerated electrons in n- and p-type GaN photoelectrodes studied by time-resolved IR absorption spectroscopy.

PubMed

Yamakata, Akira; Yoshida, Masaaki; Kubota, Jun; Osawa, Masatoshi; Domen, Kazunari

2011-07-27

Recombination kinetics of photogenerated electrons in n-type and p-type GaN photoelectrodes active for H(2) and O(2) evolution, respectively, from water was examined by time-resolved IR absorption (TR-IR) spectroscopy. Illumination of a GaN film with UV pulse (355 nm and 6 ns in duration) gives transient interference spectra in both transmittance and reflection modes. Simulation shows that the interference spectra are caused by photogenerated electrons. We observed that recombination in the microsecond region is greatly affected by the applied potentials, the lifetime becoming longer at negative and positive potentials for n- and p-type GaN electrodes, respectively. There is a good correlation between potential dependence of the steady-state reaction efficiency and that of the number of surviving electrons in the millisecond region. We also performed potential jump measurement to examine the shift in Fermi level by photogenerated charge carriers. In the case of n-type GaN, the electrode potential jumps to the negative side by accumulation of electrons in the bulk. However, in the case of p-type GaN, the electrode potential first jumps to the negative side within 20 μs and gradually shifts to the positive side in a few milliseconds, while the number of charge carriers is constant at >0.2 ms. This two-step process is ascribed to electron transport from the bulk to the surface of GaN, because the electrode potential is sensitive to the number of electrons in the bulk. The results confirm that TR-IR combined with potential jump measurement provides useful information for understanding the behavior of charge carriers in photoelectrochemical systems.

Mechanisms underlying the inhibitory effect of the feed contaminant deoxynivalenol on glucose absorption in broiler chickens.

PubMed

Awad, W A; Ghareeb, K; Zentek, J

2014-10-01

Deoxynivalenol (DON), a major contaminant of cereals and grains, is of public health concern worldwide and has been shown to reduce the electrogenic transport of glucose. However, the full effects of Fusarium mycotoxins on nutrient absorption are still not clear. The aim of this study was to investigate whether decreased nutrient absorption was due to specific effects on transporter trafficking in the intestine and whether inhibition of phosphoinositol-3-kinase (PI-3-kinase) affected the electrogenic jejunal transport of glucose. Jejunal mucosa of 6-week-old broiler chickens were mounted in Ussing chambers and treated with DON, wortmannin (a specific inhibitor of PI-3-kinase), DON + wortmannin, phlorizin and cytochalasin B. DON was found to decrease the short-circuit current (Isc) after glucose addition. A similar decline in Isc after glucose addition was observed following pre-application of wortmannin, or phlorizin (Na(+)/glucose co-transporter, SGLT1 inhibitor). The results indicate that DON decreased glucose absorption in the absence of wortmannin or phlorizin but had no additional effect on glucose absorption in their presence. Glucose transport was not affected by cytochalasin B (facilitative glucose transporter, GLUT2 inhibitor). The study provides evidence that the suppressive effect of DON on the electrogenic transport of glucose may be due to an inhibitory activity of the PI3 kinase pathway and intestinal SGLT1. Furthermore, the effect of cytochalasin B on glucose transport in chicken tissues differs from that in mammals. Copyright © 2014 Elsevier Ltd. All rights reserved.

Rational design of dipolar chromophore as an efficient dopant-free hole-transporting material for perovskite solar cells

DOE PAGES

Li, Zhong’an; Zhu, Zonglong; Chueh, Chu -Chen; ...

2016-08-23

In this paper, an electron donor-acceptor (D-A) substituted dipolar chromophore ( BTPA-TCNE) is developed to serve as an efficient dopant-free hole-transporting material (HTM) for perovskite solar cells (PVSCs). BTPA-TCNE is synthesized via a simple reaction between a triphenylamine-based Michler’s base and tetracyanoethylene. This chromophore possesses a zwitterionic resonance structure in the ground state, as evidenced by X-ray crystallography and transient absorption spectroscopies. Moreover, BTPA-TCNE shows an antiparallel molecular packing (i.e., centrosymmetric dimers) in its crystalline state, which cancels out its overall molecular dipole moment to facilitate charge transport. Finally, BTPA-TCNE can be employed as an effective dopant-free HTM to realizemore » an efficient (PCE ≈ 17.0%) PVSC in the conventional n-i-p configuration, outperforming the control device with doped spiro-OMeTAD HTM.« less

Moss-Burstein shift in La-doped BaSnO3; A novel electron transport layer material for hybrid halide perovskite solar cells

NASA Astrophysics Data System (ADS)

Taya, Ankur; Rani, Priti; Kashyap, Manish K.

2018-04-01

Highly efficient hybrid (organic-inorganic) halide perovskite solar cells (PSCs) employ TiO2 as electron transport layer (ETL) but it impedes the device stability under solar illumination. Therefore, there is an imperative need to study the materials that can be the ideal replacement for TiO2 as ETL. With its growth at mild conditions recently by Shin et al. [Science, 356, 167 (2017)], La-doped BaSnO3 (LBSO) emerges out as an efficient candidate for ETL in PSCs. In this direction, we represent first-principles electronic properties and optical response of pristine and La-doped BaSnO3 using full potential linear augmented plane wave (FPLAPW) method within time efficient orbital independent modified Becke Johnson (mBJ) approach. Post La-doping, Moss-Burtsein shift is observed in BaSnO3 that establishes it as an excellent n-type transparent conducting oxide. The optical absorption spectra of LBSO has been analyzed to prove almost full transmittivity for energy ≤ 4eV which affirms LBSO as an ideal material for ETL in various PSCs.

Optical and electrical properties of polycrystalline and amorphous Al-Ti thin films

NASA Astrophysics Data System (ADS)

Canulescu, S.; Borca, C. N.; Rechendorff, K.; Davidsdóttir, S.; Pagh Almtoft, K.; Nielsen, L. P.; Schou, J.

2016-04-01

The structural, optical, and transport properties of sputter-deposited Al-Ti thin films have been investigated as a function of Ti alloying with a concentration ranging from 2% to 46%. The optical reflectivity of Al-Ti films at visible and near-infrared wavelengths decreases with increasing Ti content. X-ray absorption fine structure measurements reveal that the atomic ordering around Ti atoms increases with increasing Ti content up to 20% and then decreases as a result of a transition from a polycrystalline to amorphous structure. The transport properties of the Al-Ti films are influenced by electron scattering at the grain boundaries in the case of polycrystalline films and static defects, such as anti-site effects and vacancies in the case of the amorphous alloys. The combination of Ti having a real refractive index (n) comparable with the extinction coefficient (k) and Al with n much smaller than k allows us to explore the parameter space for the free-electron behavior in transition metal-Al alloys. The free electron model, applied for the polycrystalline Al-Ti films with Ti content up to 20%, leads to an optical reflectance at near infrared wavelengths that scales linearly with the square root of the electrical resistivity.

Oxalate and Sucralose Absorption in Idiopathic Calcium Oxalate Stone Formers

PubMed Central

Knight, John; Jiang, Juquan; Wood, Kyle D.; Holmes, Ross P.; Assimos, Dean G.

2011-01-01

Objectives Oxalate has been hypothesized to undergo absorption in the large and small intestine by both paracellular and transepithelial transport. Sucralose is a chlorinated sugar that is absorbed by paracellular mechanisms. This study's objective was to better understand intestinal oxalate transport by correlating oxalate and sucralose absorption in idiopathic calcium oxalate stone formers. Methods Idiopathic calcium oxalate stone formers were recruited to provide urine specimens on both a self-selected diet and following a meal containing 90 mg of 13C2-oxalate and 5 grams of sucralose, and a stool sample for determination of Oxalobacter formigenes colonization. The 24 hour urine collections were fractionated into the first 6 hours and the subsequent 18 hours. Sucralose and oxalate excretion were measured during these periods and used to estimate absorption. Results A total of 38 subjects were evaluated. The majority of both the 13C2-oxalate and sucralose absorption occurred within the 0-6 hour collection. The 13C2-oxalate and sucralose absorptions were significantly correlated at the 0-6 hour, the 6-24 hour, and the total 24 hour time periods (p<0.04). All five oxalate hyperabsorbers(> 15% absorption) also absorbed significantly more sucralose during the 0-6 hour and whole 24 hour time points (p<0.04). Oxalobacter formigenes colonization did not significantly alter oxalate absorption. Conclusion The results suggest that the majority of oxalate is absorbed in the proximal portion of the gastrointestinal tract and that paracelluar transport is involved. Augmented paracellular transport, as evidenced by increased sucralose absorption, may also influence oxalate absorption. PMID:21676449

Non-Fullerene Electron Acceptors for Use in Organic Solar Cells

PubMed Central

2015-01-01

Conspectus The active layer in a solution processed organic photovoltaic device comprises a light absorbing electron donor semiconductor, typically a polymer, and an electron accepting fullerene acceptor. Although there has been huge effort targeted to optimize the absorbing, energetic, and transport properties of the donor material, fullerenes remain as the exclusive electron acceptor in all high performance devices. Very recently, some new non-fullerene acceptors have been demonstrated to outperform fullerenes in comparative devices. This Account describes this progress, discussing molecular design considerations and the structure–property relationships that are emerging. The motivation to replace fullerene acceptors stems from their synthetic inflexibility, leading to constraints in manipulating frontier energy levels, as well as poor absorption in the solar spectrum range, and an inherent tendency to undergo postfabrication crystallization, resulting in device instability. New acceptors have to address these limitations, providing tunable absorption with high extinction coefficients, thus contributing to device photocurrent. The ability to vary and optimize the lowest unoccupied molecular orbital (LUMO) energy level for a specific donor polymer is also an important requirement, ensuring minimal energy loss on electron transfer and as high an internal voltage as possible. Initially perylene diimide acceptors were evaluated as promising acceptor materials. These electron deficient aromatic molecules can exhibit good electron transport, facilitated by close packed herringbone crystal motifs, and their energy levels can be synthetically tuned. The principal drawback of this class of materials, their tendency to crystallize on too large a length scale for an optimal heterojunction nanostructure, has been shown to be overcome through introduction of conformation twisting through steric effects. This has been primarily achieved by coupling two units together, forming dimers with a large intramolecular twist, which suppresses both nucleation and crystal growth. The generic design concept of rotationally symmetrical aromatic small molecules with extended π orbital delocalization, including polyaromatic hydrocarbons, phthalocyanines, etc., has also provided some excellent small molecule acceptors. In most cases, additional electron withdrawing functionality, such as imide or ester groups, can be incorporated to stabilize the LUMO and improve properties. New calamitic acceptors have been developed, where molecular orbital hybridization of electron rich and poor segments can be judiciously employed to precisely control energy levels. Conformation and intermolecular associations can be controlled by peripheral functionalization leading to optimization of crystallization length scales. In particular, the use of rhodanine end groups, coupled electronically through short bridged aromatic chains, has been a successful strategy, with promising device efficiencies attributed to high lying LUMO energy levels and subsequently large open circuit voltages. PMID:26505279

Biological synthesis of triangular gold nanoprisms

NASA Astrophysics Data System (ADS)

Shankar, S. Shiv; Rai, Akhilesh; Ankamwar, Balaprasad; Singh, Amit; Ahmad, Absar; Sastry, Murali

2004-07-01

The optoelectronic and physicochemical properties of nanoscale matter are a strong function of particle size. Nanoparticle shape also contributes significantly to modulating their electronic properties. Several shapes ranging from rods to wires to plates to teardrop structures may be obtained by chemical methods; triangular nanoparticles have been synthesized by using a seeded growth process. Here, we report the discovery that the extract from the lemongrass plant, when reacted with aqueous chloroaurate ions, yields a high percentage of thin, flat, single-crystalline gold nanotriangles. The nanotriangles seem to grow by a process involving rapid reduction, assembly and room-temperature sintering of 'liquid-like' spherical gold nanoparticles. The anisotropy in nanoparticle shape results in large near-infrared absorption by the particles, and highly anisotropic electron transport in films of the nanotriangles.

Development of Spiro[cyclopenta[1,2-b:5,4-b']dithiophene-4,9'-fluorene]-Based A-π-D-π-A Small Molecules with Different Acceptor Units for Efficient Organic Solar Cells.

PubMed

Wang, Wengong; Shen, Ping; Dong, Xinning; Weng, Chao; Wang, Guo; Bin, Haijun; Zhang, Jing; Zhang, Zhi-Guo; Li, Yongfang

2017-02-08

Three acceptor-π-donor-π-acceptor (A-π-D-π-A) small molecules (STFYT, STFRDN, and STFRCN) with spiro[cyclopenta[1,2-b:5,4-b']dithiophene-4,9'-fluorene] (STF) as the central donor unit, terthiophene as the π-conjugated bridge, indenedione, 3-ethylrhodanine, or 2-(1,1-dicyanomethylene)rhodanine as the acceptor unit are designed, synthesized, and characterized as electron donor materials in solution-processing organic solar cells (OSCs). The effects of the spiro STF-based central core and different acceptors on the molecular configuration, absorption properties, electronic energy levels, carrier transport properties, the morphology of active layers, and photovoltaic properties are investigated in detail. The three molecules exhibit desirable physicochemical features: wide absorption bands (300-850 nm) and high molar absorption coefficients (4.82 × 10 4 to 7.56 × 10 4 M -1 cm -1 ) and relatively low HOMO levels (-5.15 to -5.38 eV). Density functional theory calculations reveal that the spiro STF central core benefits to reduce the steric hindrance effect between the central donor block and terthiophene bridge and suppress excessive intermolecular aggregations. The optimized OSCs based on these molecules deliver power conversion efficiencies (PCEs) of 6.68%, 3.30%, and 4.33% for STFYT, STFRDN, and STFRCN, respectively. The higher PCE of STFYT-based OSCs should be ascribed to its better absorption ability, higher and balanced hole and electron mobilities, and superior active layer morphology as compared to the other two compounds. So far, this is the first example of developing the A-π-D-π-A type small molecules with a spiro central donor core for high-performance OSC applications. Meanwhile, these results demonstrate that using spiro central block to construct A-π-D-π-A molecule is an alternative and effective strategy for achieving high-performance small molecule donor materials.

Proof of the Feasibility of Coherent and Incoherent Schemes for Pumping a Gamma-Ray Laser

DTIC Science & Technology

1989-06-01

contribution of the working medium to the absorption of the primary photoelectrons would be dominated by the effects of the diluent. 10 Be t 1 o2K 1 1 C...necessary. In 1928 the com-lete theory for the effect was worked out by Klein and Nishina using Dirac’s relativistic theory of the electron. The...Y(b) Null effect obtained with a Cu bridge. As shown in Table I, the transport of the spa waves The authors acknowledge the support of this work by

Ion transport in proximal colon of the rat. Sodium depletion stimulates neutral sodium chloride absorption.

PubMed Central

Foster, E S; Budinger, M E; Hayslett, J P; Binder, H J

1986-01-01

The model of sodium and chloride transport proposed for the colon is based on studies performed in the distal segment and tacitly assumes that ion transport is similar throughout the colon. In rat distal colon, neutral sodium-chloride absorption accounts for the major fraction of overall sodium absorption and aldosterone stimulates electrogenic, amiloride-sensitive sodium absorption. Since we have demonstrated qualitative differences in potassium transport in proximal and distal segments of rat colon, unidirectional 22Na and 36Cl fluxes were performed under short-circuit conditions across isolated proximal colon of control and sodium-depleted rats with secondary hyperaldosteronism. In the control group, net sodium absorption (JNanet) (7.4 +/- 0.5 mu eq/h . cm2) was greater than Isc (1.4 +/- 0.1 mu eq/h . cm2), and JClnet was 0 in Ringer solution. Residual flux (JR) was -5.2 +/- 0.5 mu eq/h . cm2 consistent with hydrogen ion secretion suggesting that neutral sodium absorption may represent sodium-hydrogen exchange. 1 mM mucosal amiloride, which inhibits sodium-hydrogen exchange in other epithelia, produced comparable decreases in JNanet and JR (4.1 +/- 0.6 and 3.2 +/- 0.6 mu eq/h . cm2, respectively) without a parallel fall in Isc. Sodium depletion stimulated JNanet, JClnet, and Isc by 7.0 +/- 1.4, 6.3 +/- 1.9, and 0.8 +/- 0.2 mu eq/h . cm2, respectively, and 1 mM amiloride markedly inhibited JNanet and JClnet by 6.0 +/- 1.1 and 4.0 +/- 1.6 mu eq/h . cm2, respectively, with only a minimal reduction in Isc. Conclusions: the predominant neutral sodium-absorptive mechanism in proximal colon is sodium-hydrogen exchange. Sodium depletion stimulates electroneutral chloride-dependent sodium absorption (most likely as a result of increasing sodium-hydrogen and chloride-bicarbonate exchanges), not electrogenic chloride-independent sodium transport. The model of ion transport in the proximal colon is distinct from that of the distal colon. PMID:2418060

Assessment of wavelength-dependent parameters of photosynthetic electron transport with a new type of multi-color PAM chlorophyll fluorometer.

PubMed

Schreiber, Ulrich; Klughammer, Christof; Kolbowski, Jörg

2012-09-01

Technical features of a novel multi-color pulse amplitude modulation (PAM) chlorophyll fluorometer as well as the applied methodology and some typical examples of its practical application with suspensions of Chlorella vulgaris and Synechocystis PCC 6803 are presented. The multi-color PAM provides six colors of pulse-modulated measuring light (peak-wavelengths at 400, 440, 480, 540, 590, and 625 nm) and six colors of actinic light (AL), peaking at 440, 480, 540, 590, 625 and 420-640 nm (white). The AL can be used for continuous illumination, maximal intensity single-turnover pulses, high intensity multiple-turnover pulses, and saturation pulses. In addition, far-red light (peaking at 725 nm) is provided for preferential excitation of PS I. Analysis of the fast fluorescence rise kinetics in saturating light allows determination of the wavelength- and sample-specific functional absorption cross section of PS II, Sigma(II)(λ), with which the PS II turnover rate at a given incident photosynthetically active radiation (PAR) can be calculated. Sigma(II)(λ) is defined for a quasi-dark reference state, thus differing from σ(PSII) used in limnology and oceanography. Vastly different light response curves for Chlorella are obtained with light of different colors, when the usual PAR-scale is used. Based on Sigma(II)(λ) the PAR, in units of μmol quanta/(m(2) s), can be converted into PAR(II) (in units of PS II effective quanta/s) and a fluorescence-based electron transport rate ETR(II) = PAR(II) · Y(II)/Y(II)(max) can be defined. ETR(II) in contrast to rel.ETR qualifies for quantifying the absolute rate of electron transport in optically thin suspensions of unicellular algae and cyanobacteria. Plots of ETR(II) versus PAR(II) for Chlorella are almost identical using either 440 or 625 nm light. Photoinhibition data are presented suggesting that a lower value of ETR(II)(max) with 440 nm possibly reflects photodamage via absorption by the Mn-cluster of the oxygen-evolving complex.

Co-treatment with grapefruit juice inhibits while chronic administration activates intestinal P-glycoprotein-mediated drug efflux.

PubMed

Panchagnula, R; Bansal, T; Varma, M V S; Kaul, C L

2005-12-01

P-Glycoprotein (P-gp) mediated efflux is recognized as a significant biochemical barrier affecting oral absorption for a number of drugs. Various conflicting reports have been published regarding the effects of grapefruit juice (GFJ) on P-gp-mediated drug efflux, in which GFJ has been shown both to inhibit and activate it. Hence, the present study adopted a two-way approach, involving both co-treatment and chronic administration. Bi-directional transport of paclitaxel (PCL) was carried out in the absence and presence of GFJ extract, in rat everted ileum sac. Further, the effect of chronic administration of GFJ to rats was characterized by permeability studies with indinavir (INDI). Co-treatment of GFJ extract at 100% concentration reduced the asymmetric transport of PCL (efflux ratio = 20.8) by increasing absorptive (A --> B) transport by 921% and reducing secretory (B --> A) transport by 41%. Further, GFJ showed a concentration dependent effect on PCL permeability. Imipramine, a passive permeability marker with absorptive permeability of 15.33 +/- 4.26 x 10(-6) cm/s showed no asymmetric transport and also no significant (P < 0.05) change in permeability in the presence of GFJ. Chronic administration of GFJ resulted in a significant decrease in absorptive transport of indinavir, which was even greater than that produced by rifampicin pretreatment. No change in permeability of propranolol, a passive permeability marker, was observed. Further, the decrease in absorptive transport of INDI was reversed by the P-gp inhibitor verapamil. In conclusion, GFJ extract inhibited P-gp-mediated efflux in co-treatment, whereas chronic administration led to increased levels of P-gp expression, thus having a profound effect on intestinal absorption and GFJ-drug interactions in vivo.

Development of a new EMP code at LANL

NASA Astrophysics Data System (ADS)

Colman, J. J.; Roussel-Dupré, R. A.; Symbalisty, E. M.; Triplett, L. A.; Travis, B. J.

2006-05-01

A new code for modeling the generation of an electromagnetic pulse (EMP) by a nuclear explosion in the atmosphere is being developed. The source of the EMP is the Compton current produced by the prompt radiation (γ-rays, X-rays, and neutrons) of the detonation. As a first step in building a multi- dimensional EMP code we have written three kinetic codes, Plume, Swarm, and Rad. Plume models the transport of energetic electrons in air. The Plume code solves the relativistic Fokker-Planck equation over a specified energy range that can include ~ 3 keV to 50 MeV and computes the resulting electron distribution function at each cell in a two dimensional spatial grid. The energetic electrons are allowed to transport, scatter, and experience Coulombic drag. Swarm models the transport of lower energy electrons in air, spanning 0.005 eV to 30 keV. The swarm code performs a full 2-D solution to the Boltzmann equation for electrons in the presence of an applied electric field. Over this energy range the relevant processes to be tracked are elastic scattering, three body attachment, two body attachment, rotational excitation, vibrational excitation, electronic excitation, and ionization. All of these occur due to collisions between the electrons and neutral bodies in air. The Rad code solves the full radiation transfer equation in the energy range of 1 keV to 100 MeV. It includes effects of photo-absorption, Compton scattering, and pair-production. All of these codes employ a spherical coordinate system in momentum space and a cylindrical coordinate system in configuration space. The "z" axis of the momentum and configuration spaces is assumed to be parallel and we are currently also assuming complete spatial symmetry around the "z" axis. Benchmarking for each of these codes will be discussed as well as the way forward towards an integrated modern EMP code.

Permeation and Systemic Absorption of R- and S-Baclofen across the Nasal Mucosa

PubMed Central

Zhang, Hefei; Schmidt, Mark; Murry, Daryl J.; Donovan, Maureen D.

2012-01-01

Baclofen, an antispasmodic agent that acts as a GABAB agonist, resembles phenylalanine in structure and has been reported to be a substrate of the large amino acid transporter, LAT-1. The objective of this study was to investigate the absorption of baclofen across the nasal mucosa both in vitro and in vivo. Baclofen transport was measured across excised bovine olfactory and respiratory mucosae to investigate site-specific uptake of baclofen, and the intranasal bioavailability of R- and S- baclofen was determined in rats. Increasing flux with increasing baclofen donor concentration and the absence of polarized transport was observed in vitro and similar distribution profiles were observed for both enantiomers following intranasal administration in rats. The absence of stereospecificity in nasal absorption indicates limited involvement of the amino acid or other transporters in the nasal absorption of baclofen. PMID:21283988

Absorption sites of orally administered drugs in the small intestine.

PubMed

Murakami, Teruo

2017-12-01

In pharmacotherapy, drugs are mostly taken orally to be absorbed systemically from the small intestine, and some drugs are known to have preferential absorption sites in the small intestine. It would therefore be valuable to know the absorption sites of orally administered drugs and the influencing factors. Areas covered:In this review, the author summarizes the reported absorption sites of orally administered drugs, as well as, influencing factors and experimental techniques. Information on the main absorption sites and influencing factors can help to develop ideal drug delivery systems and more effective pharmacotherapies. Expert opinion: Various factors including: the solubility, lipophilicity, luminal concentration, pKa value, transporter substrate specificity, transporter expression, luminal fluid pH, gastrointestinal transit time, and intestinal metabolism determine the site-dependent intestinal absorption. However, most of the dissolved fraction of orally administered drugs including substrates for ABC and SLC transporters, except for some weakly basic drugs with higher pKa values, are considered to be absorbed sequentially from the proximal small intestine. Securing the solubility and stability of drugs prior to reaching to the main absorption sites and appropriate delivery rates of drugs at absorption sites are important goals for achieving effective pharmacotherapy.

High Efficiency Inverted Planar Perovskite Solar Cells with Solution-Processed NiOx Hole Contact.

PubMed

Yin, Xuewen; Yao, Zhibo; Luo, Qiang; Dai, Xuezeng; Zhou, Yu; Zhang, Ye; Zhou, Yangying; Luo, Songping; Li, Jianbao; Wang, Ning; Lin, Hong

2017-01-25

NiO x is a promising hole-transporting material for perovskite solar cells due to its high hole mobility, good stability, and easy processability. In this work, we employed a simple solution-processed NiO x film as the hole-transporting layer in perovskite solar cells. When the thickness of the perovskite layer increased from 270 to 380 nm, the light absorption and photogenerated carrier density were enhanced and the transporting distance of electron and hole would also increase at the same time, resulting in a large charge transfer resistance and a long hole-extracted process in the device, characterized by the UV-vis, photoluminescence, and electrochemical impedance spectroscopy spectra. Combining both of these factors, an optimal thickness of 334.2 nm was prepared with the perovskite precursor concentration of 1.35 M. Moreover, the optimal device fabrication conditions were further achieved by optimizing the thickness of NiO x hole-transporting layer and PCBM electron selective layer. As a result, the best power conversion efficiency of 15.71% was obtained with a J sc of 20.51 mA·cm -2 , a V oc of 988 mV, and a FF of 77.51% with almost no hysteresis. A stable efficiency of 15.10% was caught at the maximum power point. This work provides a promising route to achieve higher efficiency perovskite solar cells based on NiO or other inorganic hole-transporting materials.

Transport, metabolism, and endosomal trafficking-dependent regulation of intestinal fructose absorption

PubMed Central

Patel, Chirag; Douard, Veronique; Yu, Shiyan; Gao, Nan; Ferraris, Ronaldo P.

2015-01-01

Dietary fructose that is linked to metabolic abnormalities can up-regulate its own absorption, but the underlying regulatory mechanisms are not known. We hypothesized that glucose transporter (GLUT) protein, member 5 (GLUT5) is the primary fructose transporter and that fructose absorption via GLUT5, metabolism via ketohexokinase (KHK), as well as GLUT5 trafficking to the apical membrane via the Ras-related protein-in-brain 11 (Rab11)a-dependent endosomes are each required for regulation. Introducing fructose but not lysine and glucose solutions into the lumen increased by 2- to 10-fold the heterogeneous nuclear RNA, mRNA, protein, and activity levels of GLUT5 in adult wild-type mice consuming chow. Levels of GLUT5 were >100-fold that of candidate apical fructose transporters GLUTs 7, 8, and 12 whose expression, and that of GLUT 2 and the sodium-dependent glucose transporter protein 1 (SGLT1), was not regulated by luminal fructose. GLUT5-knockout (KO) mice exhibited no facilitative fructose transport and no compensatory increases in activity and expression of SGLT1 and other GLUTs. Fructose could not up-regulate GLUT5 in GLUT5-KO, KHK-KO, and intestinal epithelial cell-specific Rab11a-KO mice. The fructose-specific metabolite glyceraldehyde did not increase GLUT5 expression. GLUT5 is the primary transporter responsible for facilitative absorption of fructose, and its regulation specifically requires fructose uptake and metabolism and normal GLUT5 trafficking to the apical membrane.—Patel, C., Douard, V., Yu, S., Gao, N., Ferraris, R. P. Transport, metabolism, and endosomal trafficking-dependent regulation of intestinal fructose absorption. PMID:26071406

Light transport in turbid media with non-scattering, low-scattering and high absorption heterogeneities based on hybrid simplified spherical harmonics with radiosity model

PubMed Central

Yang, Defu; Chen, Xueli; Peng, Zhen; Wang, Xiaorui; Ripoll, Jorge; Wang, Jing; Liang, Jimin

2013-01-01

Modeling light propagation in the whole body is essential and necessary for optical imaging. However, non-scattering, low-scattering and high absorption regions commonly exist in biological tissues, which lead to inaccuracy of the existing light transport models. In this paper, a novel hybrid light transport model that couples the simplified spherical harmonics approximation (SPN) with the radiosity theory (HSRM) was presented, to accurately describe light transport in turbid media with non-scattering, low-scattering and high absorption heterogeneities. In the model, the radiosity theory was used to characterize the light transport in non-scattering regions and the SPN was employed to handle the scattering problems, including subsets of low-scattering and high absorption. A Neumann source constructed by the light transport in the non-scattering region and formed at the interface between the non-scattering and scattering regions was superposed into the original light source, to couple the SPN with the radiosity theory. The accuracy and effectiveness of the HSRM was first verified with both regular and digital mouse model based simulations and a physical phantom based experiment. The feasibility and applicability of the HSRM was then investigated by a broad range of optical properties. Lastly, the influence of depth of the light source on the model was also discussed. Primary results showed that the proposed model provided high performance for light transport in turbid media with non-scattering, low-scattering and high absorption heterogeneities. PMID:24156077

Light transport in turbid media with non-scattering, low-scattering and high absorption heterogeneities based on hybrid simplified spherical harmonics with radiosity model.

PubMed

Yang, Defu; Chen, Xueli; Peng, Zhen; Wang, Xiaorui; Ripoll, Jorge; Wang, Jing; Liang, Jimin

2013-01-01

Modeling light propagation in the whole body is essential and necessary for optical imaging. However, non-scattering, low-scattering and high absorption regions commonly exist in biological tissues, which lead to inaccuracy of the existing light transport models. In this paper, a novel hybrid light transport model that couples the simplified spherical harmonics approximation (SPN) with the radiosity theory (HSRM) was presented, to accurately describe light transport in turbid media with non-scattering, low-scattering and high absorption heterogeneities. In the model, the radiosity theory was used to characterize the light transport in non-scattering regions and the SPN was employed to handle the scattering problems, including subsets of low-scattering and high absorption. A Neumann source constructed by the light transport in the non-scattering region and formed at the interface between the non-scattering and scattering regions was superposed into the original light source, to couple the SPN with the radiosity theory. The accuracy and effectiveness of the HSRM was first verified with both regular and digital mouse model based simulations and a physical phantom based experiment. The feasibility and applicability of the HSRM was then investigated by a broad range of optical properties. Lastly, the influence of depth of the light source on the model was also discussed. Primary results showed that the proposed model provided high performance for light transport in turbid media with non-scattering, low-scattering and high absorption heterogeneities.

Transport, electronic, and structural properties of nanocrystalline CuAlO2 delafossites

NASA Astrophysics Data System (ADS)

Durá, O. J.; Boada, R.; Rivera-Calzada, A.; León, C.; Bauer, E.; de la Torre, M. A. López; Chaboy, J.

2011-01-01

This work reports on the effect of grain size on the electrical, thermal, and structural properties of CuAlO2 samples obtained by solid-state reaction combined with ball milling. Electrical characterization made in microcrystalline and nanocrystalline samples shows that the electrical conductivity decreases several orders of magnitude for the nanocrystalline samples, and, in addition, there is a large discrepancy between the activation energies associated to thermoelectric power ES. The study of the Cu K-edge x-ray absorption spectra of the CuAlO2 samples shows that the local structure around Cu is preserved after the sintering process, indicating that the observed behavior of the electrical conductivity is of intrinsic origin. Complex conductivity measurements as a function of frequency allow us to discard grain-boundaries effects on the electrical transport. Thus, the changes in σ(T) and S(T) are interpreted in terms of charge localization in the framework of small polarons. This is in agreement with the analysis of the near-edge region of the absorption spectra, which indicates that sintering favors the Cu-O hybridization. As a consequence, oxygen atoms progressively lose their capability of trapping holes, and the electrical conductivity is also enhanced.

Crystallization and preliminary X-ray crystallographic study of a 3.8-MDa respiratory supermolecule hemocyanin.

PubMed

Matsuno, Asuka; Gai, Zuoqi; Tanaka, Miyuki; Kato, Koji; Kato, Sanae; Katoh, Tsuyoshi; Shimizu, Takeshi; Yoshioka, Takeya; Kishimura, Hideki; Tanaka, Yoshikazu; Yao, Min

2015-06-01

Many molluscs transport oxygen using a very large cylindrical multimeric copper-containing protein named hemocyanin. The molluscan hemocyanin forms a decamer (cephalopods) or multidecamer (gastropods) of approximately 330-450kDa subunits, resulting in a molecular mass >3.3MDa. Therefore, molluscan hemocyanin is one of the largest proteins. The reason why these organisms use such a large supermolecule for oxygen transport remains unclear. Atomic-resolution X-ray crystallographic analysis is necessary to unveil the detailed molecular structure of this mysterious large molecule. However, its propensity to dissociate in solution has hampered the crystallization of its intact form. In the present study, we successfully obtained the first crystals of an intact decameric molluscan hemocyanin. The diffraction dataset at 3.0-Å resolution was collected by merging the datasets of two isomorphic crystals. Electron microscopy analysis of the dissolved crystals revealed cylindrical particles. Furthermore, self-rotation function analysis clearly showed the presence of a fivefold symmetry with several twofold symmetries perpendicular to the fivefold axis. The absorption spectrum of the crystals showed an absorption peak around 345nm. These results indicated that the crystals contain intact hemocyanin decamers in the oxygen-bound form. Copyright © 2015 Elsevier Inc. All rights reserved.

Selective resolution of photocurrent generating pathways in transition metal dichalcogenides by ultrafast microscopy (Conference Presentation)

NASA Astrophysics Data System (ADS)

Graham, Matthew W.

2017-02-01

Presently, there exists no reliable in-situ time-resolved method that selectively isolates both the recombination and escape times relevant to photocurrent generation in the ultrafast regime. Transport based measurements lack the required time resolution, while purely optical measurement give a convoluted weighted-average of all electronic dynamics, offering no selectivity for photocurrent generating pathways. Recently, the ultrafast photocurrent (U-PC) autocorrelation method has successfully measured the rate limiting electronic relaxation processes in materials such as graphene, carbon nanotubes, and transition metal dichalcogenide (TMD) materials. Here, we unambiguously derive and experimentally confirm a generic U-PC response function by simultaneously resolving the transient absorption (TA) and U-PC response for highly-efficient (48% IQE at 0 bias) WSe2 devices and twisted bilayer graphene. Surprisingly, both optical TA and electrical U-PC responses give the same E-field-dependent electronic escape and recombination rates. These rates further accurately quantify a material's intrinsic PC generation efficiency. We demonstrate that the chirality of the incident light impacts the U-PC kinetics, suggesting such measurements directly access the ultrafast dynamics need to complex electronic physics such as the valley-Hall effect. By combining E-field dependent ultrafast photocurrent with transient absorption microscopy, we have selectively imaged the dominant kinetic bottlenecks that inhibit photocurrent production in devices made from stacked few-layer TMD materials. This provides a new methodology to intelligently select materials that intrinsically avoid recombination bottlenecks and maximize photocurrent yield.

Radiation effects on beta /10.6/ of pure and europium doped KCl

NASA Technical Reports Server (NTRS)

Grimes, H. H.; Maisel, J. E.; Hartford, R. H.

1975-01-01

Changes in the optical absorption coefficient as the result of X-ray and electron bombardment of pure monocrystalline and polycrystalline KCl and of divalent europium doped polycrystalline KCl were determined. A constant heat flow calorimetric method was used to measure the optical absorption coefficients. Both 300 kV X-ray irradiation and 2 MeV electron irradiation produced increases in the optical absorption coefficient at room temperature. X-ray irradiation produced more significant changes in pure monocrystalline KCl than equivalent amounts of electron irradiation. Electron irradiation of pure and Eu-doped polycrystalline KCl produced increases in the absorption by as much as a factor of 20 over untreated material. Bleaching of the electron-irradiated doped KCl with 649 millimicron light produced a further increase.

Electronic Properties and Photovoltaic Performances of a Series of Oligothiophene Copolymers Incorporating Both Thieno[3,2-b]thiophene and 2,1,3-Benzothiadiazole Moieties.

PubMed

Biniek, Laure; Chochos, Christos L; Hadziioannou, Georges; Leclerc, Nicolas; Lévêque, Patrick; Heiser, Thomas

2010-04-06

A series of donor-acceptor alternated conjugated copolymers, composed of thiophene, bithiophene, thieno[3,2-b]thiophene, and 2,1,3-benzothiadiazole units and differing from each other by the nature and the number of 3-alkylthiophene in the backbone, have been synthesized by Stille cross-coupling polymerization. The material's optical and electrochemical properties, in solution and in thin films, have been investigated using UV-Visible absorption and cyclic voltammetry. Bulk heterojunction solar cells using blends of the newly synthesized copolymers, as electron donor, and C60-PCBM or C70-PCBM, as electron transporting material, have been elaborated. A maximum power conversion efficiency of 1.8% is achieved with a 1:4 PPBzT(2) -C12:C70-PCBM weight ratio. Copyright © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Na+/H+ exchanger 3 inhibitor diminishes hepcidin-enhanced duodenal calcium transport in hemizygous β-globin knockout thalassemic mice.

PubMed

Charoenphandhu, Narattaphol; Kraidith, Kamonshanok; Lertsuwan, Kornkamon; Sripong, Chanakarn; Suntornsaratoon, Panan; Svasti, Saovaros; Krishnamra, Nateetip; Wongdee, Kannikar

2017-03-01

Recent investigation has shown that the liver-derived iron-regulating hormone, hepcidin, can potentiate intestinal calcium absorption in hemizygous β-globin knockout thalassemic (BKO) mice. Since the upregulation of Fe 2+ and H + cotransporter, divalent metal transporter (DMT)-1, has been shown to correlate with thalassemia-induced intestinal calcium absorption impairment, the inhibition of the apical Na + /H + exchanger (NHE)-3 that is essential for cytoplasmic pH regulation and transepithelial sodium absorption was hypothesized to negatively affect hepcidin action. Herein, the positive effect of hepcidin on the duodenal calcium transport was evaluated using Ussing chamber technique. The results showed that BKO mice had lower absorptive surface area and duodenal calcium transport than wild-type mice. Besides, paracellular transport of zinc in BKO mice was compromised. Hepcidin administration completely restored calcium transport. Since this hepcidin action was totally abolished by inhibitors of the basolateral calcium transporters, Na + /Ca 2+ exchanger (NCX1) and plasma membrane Ca 2+ -ATPase (PMCA 1b ), the enhanced calcium flux potentially occurred through the transcellular pathway rather than paracellular pathway. Interestingly, the selective NHE3 inhibitor, 100 nM tenapanor, markedly inhibited hepcidin-enhanced calcium transport. Accordingly, hepcidin is one of the promising therapeutic agents for calcium malabsorption in β-thalassemia. It mainly stimulates the transcellular calcium transport across the duodenal epithelium in an NHE3-dependent manner.

Organic solar cells: understanding the role of Förster resonance energy transfer.

PubMed

Feron, Krishna; Belcher, Warwick J; Fell, Christopher J; Dastoor, Paul C

2012-12-12

Organic solar cells have the potential to become a low-cost sustainable energy source. Understanding the photoconversion mechanism is key to the design of efficient organic solar cells. In this review, we discuss the processes involved in the photo-electron conversion mechanism, which may be subdivided into exciton harvesting, exciton transport, exciton dissociation, charge transport and extraction stages. In particular, we focus on the role of energy transfer as described by F¨orster resonance energy transfer (FRET) theory in the photoconversion mechanism. FRET plays a major role in exciton transport, harvesting and dissociation. The spectral absorption range of organic solar cells may be extended using sensitizers that efficiently transfer absorbed energy to the photoactive materials. The limitations of F¨orster theory to accurately calculate energy transfer rates are discussed. Energy transfer is the first step of an efficient two-step exciton dissociation process and may also be used to preferentially transport excitons to the heterointerface, where efficient exciton dissociation may occur. However, FRET also competes with charge transfer at the heterointerface turning it in a potential loss mechanism. An energy cascade comprising both energy transfer and charge transfer may aid in separating charges and is briefly discussed. Considering the extent to which the photo-electron conversion efficiency is governed by energy transfer, optimisation of this process offers the prospect of improved organic photovoltaic performance and thus aids in realising the potential of organic solar cells.

Interfacial Interactions in Monolayer and Few-Layer SnS/CH3 NH3 PbI3 Perovskite van der Waals Heterostructures and Their Effects on Electronic and Optical Properties.

PubMed

Li, Jian-Cai; Wei, Zeng-Xi; Huang, Wei-Qing; Ma, Li-Li; Hu, Wangyu; Peng, Ping; Huang, Gui-Fang

2018-02-05

A high light-absorption coefficient and long-range hot-carrier transport of hybrid organic-inorganic perovskites give huge potential to their composites in solar energy conversion and environmental protection. Understanding interfacial interactions and their effects are paramount for designing perovskite-based heterostructures with desirable properties. Herein, we systematically investigated the interfacial interactions in monolayer and few-layer SnS/CH 3 NH 3 PbI 3 heterostructures and their effects on the electronic and optical properties of these structures by density functional theory. It was found that the interfacial interactions in SnS/CH 3 NH 3 PbI 3 heterostructures were van der Waals (vdW) interactions, and they were found to be insensitive to the layer number of 2D SnS sheets. Interestingly, although their band gap decreased upon increasing the layer number of SnS, the near-gap electronic states and optical absorption spectra of these heterostructures were found to be strikingly similar. This feature was determined to be critical for the design of 2D layered SnS-based heterostructures. Strong absorption in the ultraviolet and visible-light regions, type II staggered band alignment at the interface, and few-layer SnS as an active co-catalyst make 2D SnS/CH 3 NH 3 PbI 3 heterostructures promising candidates for photocatalysis, photodetectors, and solar energy harvesting and conversion. These results provide first insight into the nature of interfacial interactions and are useful for designing hybrid organic-inorganic perovskite-based devices with novel properties. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Structure Controlled Long-Range Sequential Tunneling in Carbon-Based Molecular Junctions.

PubMed

Morteza Najarian, Amin; McCreery, Richard L

2017-04-25

Carbon-based molecular junctions consisting of aromatic oligomers between conducting sp 2 hybridized carbon electrodes exhibit structure-dependent current densities (J) when the molecular layer thickness (d) exceeds ∼5 nm. All four of the molecular structures examined exhibit an unusual, nonlinear ln J vs bias voltage (V) dependence which is not expected for conventional coherent tunneling or activated hopping mechanisms. All molecules exhibit a weak temperature dependence, with J increasing typically by a factor of 2 over the range of 200-440 K. Fluorene and anthraquinone show linear plots of ln J vs d with nearly identical J values for the range d = 3-10 nm, despite significant differences in their free-molecule orbital energy levels. The observed current densities for anthraquinone, fluorene, nitroazobenzene, and bis-thienyl benzene for d = 7-10 nm show no correlation with occupied (HOMO) or unoccupied (LUMO) molecular orbital energies, contrary to expectations for transport mechanisms based on the offset between orbital energies and the electrode Fermi level. UV-vis absorption spectroscopy of molecular layers bonded to carbon electrodes revealed internal energy levels of the chemisorbed films and also indicated limited delocalization in the film interior. The observed current densities correlate well with the observed UV-vis absorption maxima for the molecular layers, implying a transport mechanism determined by the HOMO-LUMO energy gap. We conclude that transport in carbon-based aromatic molecular junctions is consistent with multistep tunneling through a barrier defined by the HOMO-LUMO gap, and not by charge transport at the electrode interfaces. In effect, interfacial "injection" at the molecule/electrode interfaces is not rate limiting due to relatively strong electronic coupling, and transport is controlled by the "bulk" properties of the molecular layer interior.

Molecular helices as electron acceptors in high-performance bulk heterojunction solar cells

DOE PAGES

Yu M. Zhong; Nam, Chang -Yong; Trinh, M. Tuan; ...

2015-09-18

Despite numerous organic semiconducting materials synthesized for organic photovoltaics in the past decade, fullerenes are widely used as electron acceptors in highly efficient bulk-heterojunction solar cells. None of the non-fullerene bulk heterojunction solar cells have achieved efficiencies as high as fullerene-based solar cells. Design principles for fullerene-free acceptors remain unclear in the field. Here we report examples of helical molecular semiconductors as electron acceptors that are on par with fullerene derivatives in efficient solar cells. We achieved an 8.3% power conversion efficiency in a solar cell, which is a record high for non-fullerene bulk heterojunctions. Femtosecond transient absorption spectroscopy revealedmore » both electron and hole transfer processes at the donor–acceptor interfaces. Atomic force microscopy reveals a mesh-like network of acceptors with pores that are tens of nanometres in diameter for efficient exciton separation and charge transport. As a result, this study describes a new motif for designing highly efficient acceptors for organic solar cells.« less

Engineered Mott ground state in a LaTiO3+δ/LaNiO3 heterostructure

NASA Astrophysics Data System (ADS)

Cao, Yanwei; Liu, Xiaoran; Kareev, M.; Choudhury, D.; Middey, S.; Meyers, D.; Kim, J.-W.; Ryan, P. J.; Freeland, J. W.; Chakhalian, J.

2016-01-01

In pursuit of creating cuprate-like electronic and orbital structures, artificial heterostructures based on LaNiO3 have inspired a wealth of exciting experimental and theoretical results. However, to date there is a very limited experimental understanding of the electronic and orbital states emerging from interfacial charge transfer and their connections to the modified band structure at the interface. Towards this goal, we have synthesized a prototypical superlattice composed of a correlated metal LaNiO3 and a doped Mott insulator LaTiO3+δ, and investigated its electronic structure by resonant X-ray absorption spectroscopy combined with X-ray photoemission spectroscopy, electrical transport and theory calculations. The heterostructure exhibits interfacial charge transfer from Ti to Ni sites, giving rise to an insulating ground state with orbital polarization and eg orbital band splitting. Our findings demonstrate how the control over charge at the interface can be effectively used to create exotic electronic, orbital and spin states.

Engineered Mott ground state in a LaTiO3+δ/LaNiO3 heterostructure

PubMed Central

Cao, Yanwei; Liu, Xiaoran; Kareev, M.; Choudhury, D.; Middey, S.; Meyers, D.; Kim, J.-W.; Ryan, P. J.; Freeland, J.W.; Chakhalian, J.

2016-01-01

In pursuit of creating cuprate-like electronic and orbital structures, artificial heterostructures based on LaNiO3 have inspired a wealth of exciting experimental and theoretical results. However, to date there is a very limited experimental understanding of the electronic and orbital states emerging from interfacial charge transfer and their connections to the modified band structure at the interface. Towards this goal, we have synthesized a prototypical superlattice composed of a correlated metal LaNiO3 and a doped Mott insulator LaTiO3+δ, and investigated its electronic structure by resonant X-ray absorption spectroscopy combined with X-ray photoemission spectroscopy, electrical transport and theory calculations. The heterostructure exhibits interfacial charge transfer from Ti to Ni sites, giving rise to an insulating ground state with orbital polarization and eg orbital band splitting. Our findings demonstrate how the control over charge at the interface can be effectively used to create exotic electronic, orbital and spin states. PMID:26791402

Molecular helices as electron acceptors in high-performance bulk heterojunction solar cells.

PubMed

Zhong, Yu; Trinh, M Tuan; Chen, Rongsheng; Purdum, Geoffrey E; Khlyabich, Petr P; Sezen, Melda; Oh, Seokjoon; Zhu, Haiming; Fowler, Brandon; Zhang, Boyuan; Wang, Wei; Nam, Chang-Yong; Sfeir, Matthew Y; Black, Charles T; Steigerwald, Michael L; Loo, Yueh-Lin; Ng, Fay; Zhu, X-Y; Nuckolls, Colin

2015-09-18

Despite numerous organic semiconducting materials synthesized for organic photovoltaics in the past decade, fullerenes are widely used as electron acceptors in highly efficient bulk-heterojunction solar cells. None of the non-fullerene bulk heterojunction solar cells have achieved efficiencies as high as fullerene-based solar cells. Design principles for fullerene-free acceptors remain unclear in the field. Here we report examples of helical molecular semiconductors as electron acceptors that are on par with fullerene derivatives in efficient solar cells. We achieved an 8.3% power conversion efficiency in a solar cell, which is a record high for non-fullerene bulk heterojunctions. Femtosecond transient absorption spectroscopy revealed both electron and hole transfer processes at the donor-acceptor interfaces. Atomic force microscopy reveals a mesh-like network of acceptors with pores that are tens of nanometres in diameter for efficient exciton separation and charge transport. This study describes a new motif for designing highly efficient acceptors for organic solar cells.

Engineered Mott ground state in a LaTiO 3+δ/LaNiO 3 heterostructure

DOE PAGES

Cao, Yanwei; Liu, Xiaoran; Kareev, M.; ...

2016-01-21

In pursuit of creating cuprate-like electronic and orbital structures, artificial heterostructures based on LaNiO 3 have inspired a wealth of exciting experimental and theoretical results. However, to date there is a very limited experimental understanding of the electronic and orbital states emerging from interfacial charge transfer and their connections to the modified band structure at the interface. Towards this goal, we have synthesized a prototypical superlattice composed of a correlated metal LaNiO 3 and a doped Mott insulator LaTiO 3+δ, and investigated its electronic structure by resonant X-ray absorption spectroscopy combined with X-ray photoemission spectroscopy, electrical transport and theory calculations.more » The heterostructure exhibits interfacial charge transfer from Ti to Ni sites, giving rise to an insulating ground state with orbital polarization and e g orbital band splitting. Here, our findings demonstrate how the control over charge at the interface can be effectively used to create exotic electronic, orbital and spin states.« less

The Mimas ghost revisited: An analysis of the electron flux and electron microsignatures observed in the vicinity of Mimas at Saturn

NASA Technical Reports Server (NTRS)

Chenette, D. L.; Stone, E. C.

1983-01-01

An analysis of the electron absorption signature observed by the Cosmic Ray System (CRS) on Voyage 2 near the orbit of Mimas is presented. We find that these observations cannot be explained as the absorption signature of Mimas. Combing Pioneer 11 and Voyager 2 measurements of the electron flux at Mimas's orbit (L=3.1), we find an electron spectrum where most of the flux above approx 100 keV is concentrated near 1 to 3 MeV. The expected Mimas absorption signature is calculated from this spectrum neglecting radial diffusion. A lower limit on the diffusion coefficient for MeV electrons is obtained. With a diffusion coefficient this large, both the Voyager 2 and the Pioneer 11 small-scale electron absorption signature observations in Mimas's orbit are enigmatic. Thus we refer to the mechanism for producing these signatures as the Mimas ghost. A cloud of material in orbit with Mimas may account for the observed electron signature if the cloud is at least 1% opaque to electrons across a region extending over a few hundred kilometers.

Incorporation of Mn2+ into CdSe quantum dots by chemical bath co-deposition method for photovoltaic enhancement of quantum dot-sensitized solar cells

NASA Astrophysics Data System (ADS)

Zhang, Chenguang; Liu, Shaowen; Liu, Xingwei; Deng, Fei; Xiong, Yan; Tsai, Fang-Chang

2018-03-01

A photoelectric conversion efficiency (PCE) of 4.9% was obtained under 100 mW cm-2 illumination by quantum-dot-sensitized solar cells (QDSSCs) using a CdS/Mn : CdSe sensitizer. CdS quantum dots (QDs) were deposited on a TiO2 mesoporous oxide film by successive ionic layer absorption and reaction. Mn2+ doping into CdSe QDs is an innovative and simple method-chemical bath co-deposition, that is, mixing the Mn ion source with CdSe precursor solution for Mn : CdSe QD deposition. Compared with the CdS/CdSe sensitizer without Mn2+ incorporation, the PCE was increased from 3.4% to 4.9%. The effects of Mn2+ doping on the chemical, physical and photovoltaic properties of the QDSSCs were investigated by energy dispersive spectrometry, absorption spectroscopy, photocurrent density-voltage characteristics and electrochemical impedance spectroscopy. Mn-doped CdSe QDs in QDSSCs can obtain superior light absorption, faster electron transport and slower charge recombination than CdSe QDs.

Incorporation of Mn2+ into CdSe quantum dots by chemical bath co-deposition method for photovoltaic enhancement of quantum dot-sensitized solar cells.

PubMed

Zhang, Chenguang; Liu, Shaowen; Liu, Xingwei; Deng, Fei; Xiong, Yan; Tsai, Fang-Chang

2018-03-01

A photoelectric conversion efficiency (PCE) of 4.9% was obtained under 100 mW cm -2 illumination by quantum-dot-sensitized solar cells (QDSSCs) using a CdS/Mn : CdSe sensitizer. CdS quantum dots (QDs) were deposited on a TiO 2 mesoporous oxide film by successive ionic layer absorption and reaction. Mn 2+ doping into CdSe QDs is an innovative and simple method-chemical bath co-deposition, that is, mixing the Mn ion source with CdSe precursor solution for Mn : CdSe QD deposition. Compared with the CdS/CdSe sensitizer without Mn 2+ incorporation, the PCE was increased from 3.4% to 4.9%. The effects of Mn 2+ doping on the chemical, physical and photovoltaic properties of the QDSSCs were investigated by energy dispersive spectrometry, absorption spectroscopy, photocurrent density-voltage characteristics and electrochemical impedance spectroscopy. Mn-doped CdSe QDs in QDSSCs can obtain superior light absorption, faster electron transport and slower charge recombination than CdSe QDs.

Ultrastructure and immunolocalization of digestive enzymes in the midgut of Podisus nigrispinus (Heteroptera: Pentatomidae).

PubMed

Fialho, Maria do Carmo Q; Terra, Walter R; Moreira, Nathália R; Zanuncio, José C; Serrão, Jose Eduardo

2013-07-01

The predatory stinkbug Podisus nigrispinus has been utilized in biological control programs. Its midgut is anatomically divided into anterior, middle and posterior regions, which play different roles in the digestive process. We describe the midgut ultrastructure and the secretion of digestive enzymes in the midgut of P. nigrispinus. Midguts were analyzed with transmission electron microscopy and the digestive enzymes amylase, cathepsin L, aminopeptidase and α-glucosidase were immunolocalized. The ultrastructural features of the digestive cells in the anterior, middle and posterior midgut regions suggest that they play a role in digestive enzyme synthesis, ion and nutrient absorption, storage and excretion. The digestive enzymes have different distribution along the midgut regions of the predator P. nigrispinus. Amylase, aminopeptidase and α-glucosidase occur in three midgut regions, whereas cathepsin L occurs in the middle and posterior midgut regions. The anterior midgut region of P. nigrispinus seems to play a role in water absorption, the middle midgut may be involved in nutrient absorption and the posterior midgut region is responsible for water transport to the midgut lumen. Copyright © 2013 Elsevier Ltd. All rights reserved.

Incorporation of Mn2+ into CdSe quantum dots by chemical bath co-deposition method for photovoltaic enhancement of quantum dot-sensitized solar cells

PubMed Central

Zhang, Chenguang; Liu, Shaowen; Liu, Xingwei; Deng, Fei

2018-01-01

A photoelectric conversion efficiency (PCE) of 4.9% was obtained under 100 mW cm−2 illumination by quantum-dot-sensitized solar cells (QDSSCs) using a CdS/Mn : CdSe sensitizer. CdS quantum dots (QDs) were deposited on a TiO2 mesoporous oxide film by successive ionic layer absorption and reaction. Mn2+ doping into CdSe QDs is an innovative and simple method—chemical bath co-deposition, that is, mixing the Mn ion source with CdSe precursor solution for Mn : CdSe QD deposition. Compared with the CdS/CdSe sensitizer without Mn2+ incorporation, the PCE was increased from 3.4% to 4.9%. The effects of Mn2+ doping on the chemical, physical and photovoltaic properties of the QDSSCs were investigated by energy dispersive spectrometry, absorption spectroscopy, photocurrent density–voltage characteristics and electrochemical impedance spectroscopy. Mn-doped CdSe QDs in QDSSCs can obtain superior light absorption, faster electron transport and slower charge recombination than CdSe QDs. PMID:29657776

Carrier-mediated transport of riboflavin in the rat colon.

PubMed

Yuasa, H; Hirobe, M; Tomei, S; Watanabe, J

2000-03-01

Carriers involved in riboflavin transport have generally been presumed to be localized in the upper small intestine. However, using a closed loop technique, we found that in the rat colon the absorption of riboflavin could be significantly reduced by raising the concentration from 0.1 to 200 microM and by adding lumiflavin, an analogue of riboflavin. These results suggest that saturable transport by the carrier that is specific for riboflavin and analogues may also be involved in riboflavin absorption in the colon. At the lower concentration of 0.1 microM, carrier-mediated transport was suggested to prevail, compared with passive transport, both in the colon and the small intestine. Furthermore, carrier-mediated transport in the colon was comparable with that in the small intestine. This study is the first to suggest carrier-mediated riboflavin transport in the colon. Although the riboflavin transport system in the colon needs to be subjected to more detailed investigation of its transport functions and role in riboflavin absorption after oral administration, it would be of interest to explore potential use of this carrier as a system for drug delivery.

Insulin Resistance in Nondiabetic Peritoneal Dialysis Patients: Associations with Body Composition, Peritoneal Transport, and Peritoneal Glucose Absorption.

PubMed

Bernardo, Ana Paula; Oliveira, Jose C; Santos, Olivia; Carvalho, Maria J; Cabrita, Antonio; Rodrigues, Anabela

2015-12-07

Insulin resistance has been associated with cardiovascular disease in peritoneal dialysis patients. Few studies have addressed the impact of fast transport status or dialysis prescription on insulin resistance. The aim of this study was to test whether insulin resistance is associated with obesity parameters, peritoneal transport rate, and glucose absorption. Insulin resistance was evaluated with homeostasis model assessment method (HOMA-IR), additionally corrected by adiponectin (HOMA-AD). Enrolled patients were prevalent nondiabetics attending at Santo António Hospital Peritoneal Dialysis Unit, who were free of hospitalization or infectious events in the previous 3 months (51 patients aged 50.4 ± 15.9 years, 59% women). Leptin, adiponectin, insulin-like growth factor-binding protein 1 (IGFBP-1), and daily glucose absorption were also measured. Lean tissue index, fat tissue index (FTI), and relative fat mass (rel.FM) were assessed using multifrequency bioimpedance. Patients were categorized according to dialysate to plasma creatinine ratio at 4 hours, 3.86% peritoneal equilibration test, and obesity parameters. Obesity was present in 49% of patients according to rel.FM. HOMA-IR correlated better with FTI than with body mass index. Significant correlations were found in obese, but not in nonobese patients, between HOMA-IR and leptin, leptin/adiponectin ratio (LAR), and IGFBP-1. HOMA-IR correlated with HOMA-AD, but did not correlate with glucose absorption or transport rate. There were no significant differences in insulin resistance indices, glucose absorption, and body composition parameters between fast and nonfast transporters. A total of 18 patients (35.3%) who had insulin resistance presented with higher LAR and rel.FM (7.3 [12.3, interquartile range] versus 0.7 [1.4, interquartile range], P<0.001, and 39.4 ± 10.1% versus 27.2 ± 11.5%, P=0.002, respectively), lower IGFBP-1 (8.2 ± 7.2 versus 21.0 ± 16.3 ng/ml, P=0.002), but similar glucose absorption and small-solute transport compared with patients without insulin resistance. FTI and LAR were independent correlates of HOMA-IR in multivariate analysis adjusted for glucose absorption and small-solute transport (r=0.82, P<0.001). Insulin resistance in nondiabetic peritoneal dialysis patients is associated with obesity and LAR independent of glucose absorption and small-solute transport status. Fast transport status was not associated with higher likelihood of obesity or insulin resistance. Copyright © 2015 by the American Society of Nephrology.

Absorption of infrared radiation by electrons in the field of a neutral hydrogen atom

NASA Technical Reports Server (NTRS)

Stallcop, J. R.

1974-01-01

An analytical expression for the absorption coefficient is developed from a relationship between the cross-section for inverse bremsstrahlung absorption and the cross-section for electron-atom momentum transfer; it is accurate for those photon frequencies v and temperatures such that hv/kT is small. The determination of the absorption of infrared radiation by free-free transitions of the negative hydrogen ion has been extended to higher temperatures. A simple analytical expression for the absorption coefficient has been derived.

Absorption and Transport of Sea Cucumber Saponins from Apostichopus japonicus.

PubMed

Li, Shuai; Wang, Yuanhong; Jiang, Tingfu; Wang, Han; Yang, Shuang; Lv, Zhihua

2016-06-17

The present study is focused on the intestinal absorption of sea cucumber saponins. We determined the pharmacokinetic characteristics and bioavailability of Echinoside A and Holotoxin A₁; the findings indicated that the bioavailability of Holotoxin A₁ was lower than Echinoside A. We inferred that the differences in chemical structure between compounds was a factor that explained their different characteristics of transport across the intestine. In order to confirm the absorption characteristics of Echinoside A and Holotoxin A₁, we examined their transport across Caco-2 cell monolayer and effective permeability by single-pass intestinal perfusion. The results of Caco-2 cell model indicate that Echinoside A is transported by passive diffusion, and not influenced by the exocytosis of P-glycoprotein (P-gp, expressed in the apical side of Caco-2 monolayers as the classic inhibitor). The intestinal perfusion also demonstrated well the absorption of Echinoside A and poor absorption of Holotoxin A₁, which matched up with the result of the Caco-2 cell model. The results demonstrated our conjecture and provides fundamental information on the relationship between the chemical structure of these sea cucumber saponins and their absorption characteristics, and we believe that our findings build a foundation for the further metabolism study of sea cucumber saponins and contribute to the further clinical research of saponins.

The soft x-ray beamline at Frascati Labs

NASA Astrophysics Data System (ADS)

Cinque, Gianfelice; Burattini, Emilio; Grilli, Antonio; Dabagov, Sultan

2005-08-01

DAΦNE-Light is the Synchrotron Radiation laboratory at the Laboratori Nazionali di Frascati (LNF)1. Three beamlines were commissioned since spring 2003 to exploit parasitically the intense photon emission from DAΦNE, the 0.5 1 GeV storage ring routinely circulating over 1 A of electrons. The soft X-ray beamline utilizes a wiggler source and, by a double-crystal fixed-exit monochromator, it is operational in the distinguishing energy window 1.5 - 4 keV range to be extended from the "water window" toward 6 keV. At present, the research activity is focused on X-ray Absorption Spectroscopy (XAS): precisely, X-ray Absorption Near Edge Spectroscopy (XANES) on the inner electronic levels of light elements and transition metals from Al to Ge and both d- and f-shells of higher Z atoms. Preliminary tests of X-ray imaging have been performed in view of applying different focusing optics, namely policapillary systems in trasmission and/or bent mica diffractor in back-reflection, for X-ray microscopy and spectromicroscopy experiments. The use of polycapillary systems (lenses, halflenses, capillaries) for studying features of radiation transportation by such structures (X-ray channelling, focusing, bending, etc.) has been planned.

Heteroatom-bridged benzothiazolyls for organic solar cells: a theoretical study.

PubMed

Chen, Runfeng; Wang, Yang; Chen, Ting; Li, Huanhuan; Zheng, Chunhua; Yuan, Kai; Wang, Zhixiang; Tao, Ye; Zheng, Chao; Huang, Wei

2015-01-15

On the basis of a typical organic photovoltaic (OPV) building block of 4,7-di(thiophen-2-yl)benzo[c][1,2,5]thiadiazole (DTBT), a series of novel DTBT derivatives were designed following a heteroatom-bridging strategy to take advantage of the diversified interactions between heteroatoms and π-conjugated systems. These heteroatom-bridged DTBTs, whose outer electron-rich thiophene moieties are covalently fastened to the central electron-deficient benzothiadiazole with additional heteroatom bridges, exhibit promising features for OPV applications with rigid molecular structures, properly lain frontier molecular orbitals (FMOs), broad and intense absorption spectra, and adequate charge transport properties, as revealed by systematic theoretical calculations on molecular geometries, FMOs, absorption spectra, and relaxation and reorganization energies. The structure-property relationship investigations show that the mono-/di-heteroatom bridging is effective not only in tuning the rigidity of the molecular geometries but also in adjusting the optoelectronic properties of the resulting materials. Among the studied heteroatoms, the C and Si were found to be the most efficient in designing novel molecules for OPV applications. These theoretical insights may provide a solid basis for experimental synthesis and device investigations of the proposed heteroatom-bridged DTBTs as potential high-performance building blocks for bulk heterojunction OPV molecules.

Carrier-Specific Femtosecond XUV Transient Absorption of PbI 2 Reveals Ultrafast Nonradiative Recombination

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Ming-Fu; Verkamp, Max A.; Leveillee, Joshua

Femtosecond carrier recombination in PbI 2 is measured using tabletop high-harmonic extreme ultraviolet (XUV) transient absorption spectroscopy and ultrafast electron diffraction. XUV absorption from 45 eV to 62 eV measures transitions from the iodine 4d core level to the conduction band density of states. Photoexcitation at 400 nm creates separate and distinct transient absorption signals for holes and electrons, separated in energy by the 2.4 eV band gap of the semiconductor. The shape of the conduction band and therefore the XUV absorption spectrum is temperature dependent, and nonradiative recombination converts the initial electronic excitation to thermal excitation within picoseconds. Ultrafastmore » electron diffraction (UED) is used to measure the lattice temperature and confirm the recombination mechanism. Lastly, the XUV and UED results support a 2nd-order recombination model with a rate constant of 2.5x10 -9 cm 3/s.« less

Carrier-Specific Femtosecond XUV Transient Absorption of PbI 2 Reveals Ultrafast Nonradiative Recombination

DOE PAGES

Lin, Ming-Fu; Verkamp, Max A.; Leveillee, Joshua; ...

2017-11-30

Femtosecond carrier recombination in PbI 2 is measured using tabletop high-harmonic extreme ultraviolet (XUV) transient absorption spectroscopy and ultrafast electron diffraction. XUV absorption from 45 eV to 62 eV measures transitions from the iodine 4d core level to the conduction band density of states. Photoexcitation at 400 nm creates separate and distinct transient absorption signals for holes and electrons, separated in energy by the 2.4 eV band gap of the semiconductor. The shape of the conduction band and therefore the XUV absorption spectrum is temperature dependent, and nonradiative recombination converts the initial electronic excitation to thermal excitation within picoseconds. Ultrafastmore » electron diffraction (UED) is used to measure the lattice temperature and confirm the recombination mechanism. Lastly, the XUV and UED results support a 2nd-order recombination model with a rate constant of 2.5x10 -9 cm 3/s.« less

Two-photon or higher-order absorbing optical materials for generation of reactive species

NASA Technical Reports Server (NTRS)

Marder, Seth R. (Inventor); Cumpston, Brian (Inventor); Lipson, Matthew (Inventor); Perry, Joseph W. (Inventor)

2003-01-01

Disclosed are highly efficient multiphoton absorbing compounds and methods of their use. The compounds generally include a bridge of pi-conjugated bonds connecting electron donating groups or electron accepting groups. The bridge may be substituted with a variety of substituents as well. Solubility, lipophilicity, absorption maxima and other characteristics of the compounds may be tailored by changing the electron donating groups or electron accepting groups, the substituents attached to or the length of the pi-conjugated bridge. Numerous photophysical and photochemical methods are enabled by converting these compounds to electronically excited states upon simultaneous absorption of at least two photons of radiation. The compounds have large two-photon or higher-order absorptivities such that upon absorption, one or more Lewis acidic species, Lewis basic species, radical species or ionic species are formed.

Two-photon or higher-order absorbing optical materials for generation of reactive species

NASA Technical Reports Server (NTRS)

Perry, Joseph W (Inventor); Cumpston, Brian (Inventor); Lipson, Matthew (Inventor); Marder, Seth R (Inventor)

2007-01-01

Disclosed are highly efficient multiphoton absorbing compounds and methods of their use. The compounds generally include a bridge of pi-conjugated bonds connecting electron donating groups or electron accepting groups. The bridge may be substituted with a variety of substituents as well. Solubility, lipophilicity, absorption maxima and other characteristics of the compounds may be tailored by changing the electron donating groups or electron accepting groups, the substituents attached to or the length of the pi-conjugated bridge. Numerous photophysical and photochemical methods are enabled by converting these compounds to electronically excited states upon simultaneous absorption of at least two photons of radiation. The compounds have large two-photon or higher-order absorptivities such that upon absorption, one or more Lewis acidic species, Lewis basic species, radical species or ionic species are formed.

Two-Photon or Higher-Order Absorbing Optical Materials for Generation of Reactive Species

NASA Technical Reports Server (NTRS)

Perry, Joseph W. (Inventor); Cumpston, Brian (Inventor); Lipson, Matthew (Inventor); Marder, Seth R. (Inventor)

2013-01-01

Disclosed are highly efficient multiphoton absorbing compounds and methods of their use. The compounds generally include a bridge of pi-conjugated bonds connecting electron donating groups or electron accepting groups. The bridge may be substituted with a variety of substituents as well. Solubility, lipophilicity, absorption maxima and other characteristics of the compounds may be tailored by changing the electron donating groups or electron accepting groups, the substituents attached to or the length of the pi-conjugated bridge. Numerous photophysical and photochemical methods are enabled by converting these compounds to electronically excited states upon simultaneous absorption of at least two photons of radiation. The compounds have large two-photon or higher-order absorptivities such that upon absorption, one or more Lewis acidic species, Lewis basic species, radical species or ionic species are formed.

Far-infrared response of spherical quantum dots: Dielectric effects and the generalized Kohn's theorem

NASA Astrophysics Data System (ADS)

Movilla, J. L.; Planelles, J.

2007-05-01

The influence of the dielectric environment on the far-infrared (FIR) absorption spectra of two-electron spherical quantum dots is theoretically studied. Effective mass and envelope function approaches with realistic steplike confining potentials are used. Special attention is paid to absorptions that are induced by the electron-electron interaction. High confining barriers make the FIR absorption coefficients almost independent of the quantum dot dielectric environment. Low barrier heights and strong dielectric mismatches preserve the strong fundamental (Kohn) mode but yield the cancellation of excited absorptions, thus monitoring dielectrically induced phase transitions from volume to surface states.

Impact of Thermal Annealing on Organic Photovoltaic Cells Using Regioisomeric Donor-Acceptor-Acceptor Molecules.

PubMed

Zhang, Tao; Han, Han; Zou, Yunlong; Lee, Ying-Chi; Oshima, Hiroya; Wong, Ken-Tsung; Holmes, Russell J

2017-08-02

We report a promising set of donor-acceptor-acceptor (D-A-A) electron-donor materials based on coplanar thieno[3,2-b]/[2,3-b]indole, benzo[c][1,2,5]thiadiazole, and dicyanovinylene, which are found to show broadband absorption with high extinction coefficients. The role of the regioisomeric electron-donating thienoindole moiety on the physical and structural properties is examined. Bulk heterojunction (BHJ) organic photovoltaic cells (OPVs) based on the thieno[2,3-b]indole-based electron donor NTU-2, using C 70 as an electron acceptor, show a champion power conversion efficiency of 5.2% under AM 1.5G solar simulated illumination. This efficiency is limited by a low fill factor (FF), as has previously been the case in D-A-A systems. In order to identify the origin of the limited FF, further insight into donor layer charge-transport behavior is realized by examining planar heterojunction OPVs, with emphasis on the evolution of film morphology with thermal annealing. Compared to as-deposited OPVs that exhibit insufficient donor crystallinity, crystalline OPVs based on annealed thin films show an increase in the short-circuit current density, FF, and power conversion efficiency. These results suggest that that the crystallization of D-A-A molecules might not be realized spontaneously at room temperature and that further processing is needed to realize efficient charge transport in these materials.

Reduced energy offset via substitutional doping for efficient organic/inorganic hybrid solar cells.

PubMed

Jin, Xiao; Sun, Weifu; Zhang, Qin; Ruan, Kelian; Cheng, Yuanyuan; Xu, Haijiao; Xu, Zhongyuan; Li, Qinghua

2015-06-01

Charge carrier transport in bulk heterojunction that is central to the device performance of solar cells is sensitively dependent on the energy level alignment of acceptor and donor. However, the effect of energy level regulation induced by nickel ions on the primary photoexcited electron transfer and the performance of P3HT/TiO₂ hybrid solar cells remains being poorly understood and rarely studied. Here we demonstrate that the introduction of the versatile nickel ions into TiO₂ nanocrystals can significantly elevate the conduction and valence band energy levels of the acceptor, thus resulting in a remarkable reduction of energy level offset between the conduction band of acceptor and lowest unoccupied molecular orbital of donor. By applying transient photoluminescence and femtosecond transient absorption spectroscopies, we demonstrate that the electron transfer becomes more competitive after incorporating nickel ions. In particular, the electron transfer life time is shortened from 30.2 to 16.7 ps, i.e., more than 44% faster than pure TiO₂ acceptor, thus leading to a notable increase of power conversion efficiency in organic/inorganic hybrid solar cells. This work underscores the promising virtue of engineering the reduction of 'excess' energy offset to accelerate electron transport and demonstrates the potential of nickel ions in applications of solar energy conversion and photon detectors.

X-ray compass for determining device orientation

DOEpatents

Da Silva, Luiz B.; Matthews, Dennis L.; Fitch, Joseph P.; Everett, Matthew J.; Colston, Billy W.; Stone, Gary F.

1999-01-01

An apparatus and method for determining the orientation of a device with respect to an x-ray source. In one embodiment, the present invention is coupled to a medical device in order to determine the rotational orientation of the medical device with respect to the x-ray source. In such an embodiment, the present invention is comprised of a scintillator portion which is adapted to emit photons upon the absorption of x-rays emitted from the x-ray source. An x-ray blocking portion is coupled to the scintillator portion. The x-ray blocking portion is disposed so as to vary the quantity of x-rays which penetrate the scintillator portion based upon the particular rotational orientation of the medical device with respect to the x-ray source. A photon transport mechanism is also coupled to the scintillator portion. The photon transport mechanism is adapted to pass the photons emitted from the scintillator portion to an electronics portion. By analyzing the quantity of the photons, the electronics portion determines the rotational orientation of the medical device with respect to the x-ray source.

X-ray compass for determining device orientation

DOEpatents

Da Silva, L.B.; Matthews, D.L.; Fitch, J.P.; Everett, M.J.; Colston, B.W.; Stone, G.F.

1999-06-15

An apparatus and method for determining the orientation of a device with respect to an x-ray source are disclosed. In one embodiment, the present invention is coupled to a medical device in order to determine the rotational orientation of the medical device with respect to the x-ray source. In such an embodiment, the present invention is comprised of a scintillator portion which is adapted to emit photons upon the absorption of x-rays emitted from the x-ray source. An x-ray blocking portion is coupled to the scintillator portion. The x-ray blocking portion is disposed so as to vary the quantity of x-rays which penetrate the scintillator portion based upon the particular rotational orientation of the medical device with respect to the x-ray source. A photon transport mechanism is also coupled to the scintillator portion. The photon transport mechanism is adapted to pass the photons emitted from the scintillator portion to an electronics portion. By analyzing the quantity of the photons, the electronics portion determines the rotational orientation of the medical device with respect to the x-ray source. 25 figs.

2D black phosphorous nanosheets as a hole transporting material in perovskite solar cells

NASA Astrophysics Data System (ADS)

Muduli, Subas Kumar; Varrla, Eswaraiah; Kulkarni, Sneha Avinash; Han, Guifang; Thirumal, Krishnamoorthy; Lev, Ovadia; Mhaisalkar, Subodh; Mathews, Nripan

2017-12-01

We demonstrate for the first-time liquid exfoliated few layers of 2D Black phosphorus (BP) nanosheets as a hole transporting material (HTM) for perovskite based solar cells. The photoelectron spectroscopy in air (PESA) measurements confirm the low laying valence band level of BP nanosheets (-5.2 eV) favourable for hole injection from CH3NH3PbI3 (MAPbI3). Our results show that ∼25% improvement in power conversion efficiency (PCE) of η = 16.4% for BP nanosheets + Spiro-OMeTAD as an HTM as compared to spiro-OMeTAD (η = 13.1%). When BP nanosheets are exclusively utilised as an HTM, a PCE of η = 7.88% is noted, an improvement over the 4% PCE values observed for HTM free devices. Photoluminescence (PL) quenching of MAPbI3 and impedance measurements further confirm the charge extraction ability of BP nanosheets. The structural and optical characterization of liquid exfoliated BP nanosheets is discussed in detail with the aid of transmission electron microscopy, Raman spectroscopy, absorption spectroscopy and photo-electron spectroscopy.

Non-local Lateral electron heat transport from one or more hot spots.

NASA Astrophysics Data System (ADS)

Matte, Jean-Pierre; Alouani-Bibi, Fathallah

2000-10-01

Fokker-Planck simulations of collisional absorption and transport in long scale length, preformed, underdense plasmas heated by intense and narrow laser hot spots, as in certain recent LANL experiments [1], are presented. The temperature profiles compared with those obtained from flux limited or delocalized heat flow models. For the former, the temperature peaks can be matched only if a very low flux limiter is used, and even then, the scale length of the temperature profile is always overestimated. The electron distribution function will be characterized, and compared to the "DLM" shape, exp(-(v/u)^m), [2] and the best fit for m will be compared to older formulas for uniform plasmas [2]. Hydrodynamic effects are also addressed with simulations which include ion motion; both with and without the ponderomotive force. The enhancement of sound velocity due to the "DLM" shape [3] inside the hot spot will be quantified. [1] J.A. Cobble et al., Phys. Plasmas, 7, 323 (2000) [2] J.P. Matte et al., Plasma Phys. and Contr. Fusion, 30, 1665, (1988) [3] B. B. Afeyan et al., PRL 81, 2322 (1998).

Absorption of Manganese and Iron in a Mouse Model of Hemochromatosis

PubMed Central

Kim, Jonghan; Buckett, Peter D.; Wessling-Resnick, Marianne

2013-01-01

Hereditary hemochromatosis, an iron overload disease associated with excessive intestinal iron absorption, is commonly caused by loss of HFE gene function. Both iron and manganese absorption are regulated by iron status, but the relationships between the transport pathways of these metals and how they are affected by HFE-associated hemochromatosis remain poorly understood. Loss of HFE function is known to alter the intestinal expression of DMT1 (divalent metal transporter-1) and Fpn (ferroportin), transporters that have been implicated in absorption of both iron and manganese. Although the influence of HFE deficiency on dietary iron absorption has been characterized, potential effects on manganese metabolism have yet to be explored. To investigate the role of HFE in manganese absorption, we characterized the uptake and distribution of the metal in Hfe −/− knockout mice after intravenous, intragastric, and intranasal administration of 54Mn. These values were compared to intravenous and intragastric administration of 59Fe. Intestinal absorption of 59Fe was increased and clearance of injected 59Fe was also increased in Hfe−/− mice compared to controls. Hfe −/− mice displayed greater intestinal absorption of 54Mn compared to wild-type Hfe+/+ control mice. After intravenous injection, the distribution of 59Fe to heart and liver was greater in Hfe −/− mice but no remarkable differences were observed for 54Mn. Although olfactory absorption of 54Mn into blood was unchanged in Hfe −/− mice, higher levels of intranasally-instilled 54Mn were associated with Hfe−/− brain compared to controls. These results show that manganese transport and metabolism can be modified by HFE deficiency. PMID:23705020

Sodium, phosphate, glucose, bicarbonate, and alanine interactions in the isolated proximal convoluted tubule of the rabbit kidney.

PubMed

Dennis, V W; Brazy, P C

1978-08-01

Interactions among the transport systems involved with sodium, bicarbonate, glucose, phosphate, and alanine absorption in isolated segments of the rabbit proximal convoluted tubule were examined with radioisotopic techniques to measure glucose, phosphate, and fluid absorption rates. The composition of the perfusate and bath varied from normal, physiological fluids to fluids deficient in a single solute. The deletion of glucose from the perfusate increased the lumen-to-bath flux of phosphate from 5.51 +/- 1.15 to 8.32 +/- 1.34 pmol/mm-min (P less than 0.01). Similar changes occurred when glucose transport was inhibited by phlorizin 10 micron in the perfusate, The deletion of alanine from the perfusate increased the lumen-to-bath flux of phosphate from 6.55 +/- 1.08 to 9.00 +/- 1.30 pmol/mm-min (P less than 0.01) but did not affect glucose transport significantly, 80.1 +/- 10.1 vs. 72.5 +/- 5.4 pmol/mm-min. Replacement of intraluminal sodium with choline, elimination of potassium from the bath, and removal of bicarbonate from the lumen and bath each reduced glucose, phosphate, and fluid absorption. These data indicate that the proximal absorptive processes for glucose and for phosphate include elements that are dependent upon some function of sodium transport. Additionally, the effects on phosphate transport of deleting glucose or alanine occur independent of any changes in net sodium transport and are opposite the effects of deleting bicarbonate. These differences may relate to the observations that the transport of glucose and alanine is electrogenic while that of bicarbonate is not. Regardless of possible mechanisms, the data demonstrate that important changes in the absorption rates of different solutes handled significantly by the proximal convoluted tubule may occur in response to changes in specific components of proximal sodium transport.

Plasmon enhanced power conversion efficiency in inverted bulk heterojunction organic solar cell

NASA Astrophysics Data System (ADS)

Mohan, Minu; Ramkumar, S.; Namboothiry, Manoj A. G.

2017-08-01

P3HT:PCBM is one of the most studied polymer-fullerene system. However the reported power conversion efficiency (PCE) values falls within the range of 4% to 5%. The thin film architecture in OPVs exhibits low PCE compared to inorganic photovoltaic cells. This is mainly due to the low exciton diffusion length that limits the active layer thickness which in turn reduces the absorption of incident light. Several strategies are adapted in order to increase the absorption in the active layer without increasing the film thickness. Inclusion of metal nanoparticles into the polymer layer of bulk heterojunction (BHJ) solar cells is one of the promising methods. Incorporation of metal nanostructures increases the absorption of organic materials due to the high electromagnetic field strength in the vicinity of the excited surface plasmons. In this work, we used 60 nm Au plasmonic structures to improve the efficiency of organic solar cell. The prepared metal nano structures were characterized through scanning electron microscopy (SEM), and UV-Visible spectroscopy techniques. These prepared metallic nanoparticles can be incorporated either into the electron transport layer (ETL) or into the active P3HT:PC71BM layer. The effect of incorporation of plasmonic gold (Au) nanoparticle in the inverted bulk heterojunction organic photovoltaic cells (OPVs) of P3HT:PC71BM fabricated in ambient air condition is in progress. Initial studies shows an 8.5% enhancement in the PCE with the incorporation of Au nanoparticles under AM1.5G light of intensity 1 Sun.

The Interactions of P-Glycoprotein with Antimalarial Drugs, Including Substrate Affinity, Inhibition and Regulation

PubMed Central

Senarathna, S M D K Ganga; Page-Sharp, Madhu; Crowe, Andrew

2016-01-01

The combination of passive drug permeability, affinity for uptake and efflux transporters as well as gastrointestinal metabolism defines net drug absorption. Efflux mechanisms are often overlooked when examining the absorption phase of drug bioavailability. Knowing the affinity of antimalarials for efflux transporters such as P-glycoprotein (P-gp) may assist in the determination of drug absorption and pharmacokinetic drug interactions during oral absorption in drug combination therapies. Concurrent administration of P-gp inhibitors and P-gp substrate drugs may also result in alterations in the bioavailability of some antimalarials. In-vitro Caco-2 cell monolayers were used here as a model for potential drug absorption related problems and P-gp mediated transport of drugs. Artemisone had the highest permeability at around 50 x 10−6 cm/sec, followed by amodiaquine around 20 x 10−6 cm/sec; both mefloquine and artesunate were around 10 x 10−6 cm/sec. Methylene blue was between 2 and 6 x 10−6 cm/sec depending on the direction of transport. This 3 fold difference was able to be halved by use of P-gp inhibition. MRP inhibition also assisted the consolidation of the methylene blue transport. Mefloquine was shown to be a P-gp inhibitor affecting our P-gp substrate, Rhodamine 123, although none of the other drugs impacted upon rhodamine123 transport rates. In conclusion, mefloquine is a P-gp inhibitor and methylene blue is a partial substrate; methylene blue may have increased absorption if co-administered with such P-gp inhibitors. An upregulation of P-gp was observed when artemisone and dihydroartemisinin were co-incubated with mefloquine and amodiaquine. PMID:27045516

JET (3He)-D scenarios relying on RF heating: survey of selected recent experiments

NASA Astrophysics Data System (ADS)

Van Eester, D.; Lerche, E.; Andrew, Y.; Biewer, T. M.; Casati, A.; Crombé, K.; de la Luna, E.; Ericsson, G.; Felton, R.; Giacomelli, L.; Giroud, C.; Hawkes, N.; Hellesen, C.; Hjalmarsson, A.; Joffrin, E.; Källne, J.; Kiptily, V.; Lomas, P.; Mantica, P.; Marinoni, A.; Mayoral, M.-L.; Ongena, J.; Puiatti, M.-E.; Santala, M.; Sharapov, S.; Valisa, M.; JET EFDA contributors

2009-04-01

Recent JET experiments have been devoted to the study of (3He)-D plasmas involving radio frequency (RF) heating. This paper starts by discussing the RF heating efficiency theoretically expected in such plasmas, covering both relevant aspects of wave and of particle dynamics. Then it gives a concise summary of the main conclusions drawn from recent experiments that were either focusing on studying RF heating physics aspects or that were adopting RF heating as a tool to study plasma behavior. Depending on the minority concentration chosen, different physical phenomena are observed. At very low concentration (X[3He] < 1%), energetic tails are formed which trigger MHD activity and result in loss of fast particles. Alfvén cascades were observed and gamma ray tomography indirectly shows the impact of sawtooth crashes on the fast particle orbits. Low concentration (X[3He] < 10%) favors minority heating while for X[3He] Gt 10% electron mode conversion damping becomes dominant. Evidence for the Fuchs et al standing wave effect (Fuchs et al 1995 Phys. Plasmas 2 1637-47) on the absorption is presented. RF induced deuterium tails were observed in mode conversion experiments with large X[3He] (≈18%). As tentative modeling shows, the formation of these tails can be explained as a consequence of wave power absorption by neutral beam particles that efficiently interact with the waves well away from the cold D cyclotron resonance position as a result of their substantial Doppler shift. As both ion and electron RF power deposition profiles in (3He)-D plasmas are fairly narrow—giving rise to localized heat sources—the RF heating method is an ideal tool for performing transport studies. Various of the experiments discussed here were done in plasmas with internal transport barriers (ITBs). ITBs are identified as regions with locally reduced diffusivity, where poloidal spinning up of the plasma is observed. The present know-how on the role of RF heating for impurity transport is also briefly summarized.

Intestinal absorption of the acetamiprid neonicotinoid by Caco-2 cells: transepithelial transport, cellular uptake and efflux.

PubMed

Brunet, Jean-Luc; Maresca, Marc; Fantini, Jacques; Belzunces, Luc P

2008-01-01

The human intestinal absorption of acetamiprid (AAP) using the Caco-2 cell line reveals that AAP flux was active in a bidirectional mode with an apparent permeability coefficient of 26 x 10(-6) cm x s(-1) at 37 degrees C. Apical uptake was concentration-dependent and unsaturated for AAP concentrations up to 200 micro M. AAP cell preloading demonstrated the involvement of active transport mechanisms. Arrhenius plot analysis revealed an unusual profile with two apparent activation energies suggesting two transport processes. Uptake Vi studies indicated the involvement of a sodium-dependent transporter, the presence of a common transporter of AAP and nicotine and the involvement of Ti-sensitive ATP-dependent efflux transporters. Apical efflux investigations showed the involvement of inward active transporter(s). Whereas vincristine had no effect on intracellular accumulation, taxol and daunorubicin treatments unexpectedly led to 10% and 23% reductions respectively, suggesting that the latter shared a common inward transporter with AAP. All these results suggest full and express AAP absorption in vivo with transport involving both inward and outward, passive and active mechanisms. Thus, AAP or its metabolites could be representative of a risk for human health after its ingestion in food.

P-Glycoprotein in skin contributes to transdermal absorption of topical corticosteroids.

PubMed

Hashimoto, Naoto; Nakamichi, Noritaka; Yamazaki, Erina; Oikawa, Masashi; Masuo, Yusuke; Schinkel, Alfred H; Kato, Yukio

2017-04-15

ATP binding cassette transporters, P-glycoprotein (P-gp) and breast cancer resistance protein (BCRP), are expressed in skin, but their involvement in transdermal absorption of clinically used drugs remains unknown. Here, we examined their role in transdermal absorption of corticosteroids. Skin and plasma concentrations of dexamethasone after dermal application were reduced in P-gp and BCRP triple-knockout (Mdr1a/1b/Bcrp -/- ) mice. The skin concentration in Mdr1a/1b/Bcrp -/- mice was reduced in the dermis, but not in the epidermis, indicating that functional expression of these transporters in skin is compartmentalized. Involvement of these transporters in dermal transport of dexamethasone was also supported by the observation of a higher epidermal concentration in Mdr1a/1b/Bcrp -/- than wild-type mice during intravenous infusion. Transdermal absorption after dermal application of prednisolone, but not methylprednisolone or ethinyl estradiol, was also lower in Mdr1a/1b/Bcrp -/- than in wild-type mice. Transport studies in epithelial cell lines transfected with P-gp or BCRP showed that dexamethasone and prednisolone are substrates of P-gp, but are minimally transported by BCRP. Thus, our findings suggest that P-gp is involved in transdermal absorption of at least some corticosteroids in vivo. P-gp might be available as a target for inhibition in order to deliver topically applied drugs and cosmetics in a manner that minimizes systemic exposure. Copyright © 2017 Elsevier B.V. All rights reserved.

Contaminant transport in wetland flows with bulk degradation and bed absorption

NASA Astrophysics Data System (ADS)

Wang, Ping; Chen, G. Q.

2017-09-01

Ecological degradation and absorption are ubiquitous and exert considerable influence on the contaminant transport in natural and constructed wetland flows. It creates an increased demand on models to accurately characterize the spatial concentration distribution of the transport process. This work extends a method of spatial concentration moments by considering the non-uniform longitudinal solute displacements along the vertical direction, and analytically determines the spatial concentration distribution in the very initial stage since source release with effects of bulk degradation and bed absorption. The present method is demonstrated to bear a more accurate prediction especially in the initial stage through convergence analysis of Hermite polynomials. Results reveal that contaminant cloud shows to be more contracted and reformed by bed absorption with increasing damping factor of wetland flows. Tremendous vertical concentration variation especially in the downstream of the contaminant cloud remains great even at asymptotic large times. Spatial concentration evolution by the extended method other than the mean by previous studies is potential for various implements associated with contaminant transport with strict environmental standards.

Actions of Hydrogen Sulfide on Sodium Transport Processes across Native Distal Lung Epithelia (Xenopus laevis)

PubMed Central

Erb, Alexandra; Althaus, Mike

2014-01-01

Hydrogen sulfide (H2S) is well known as a highly toxic environmental chemical threat. Prolonged exposure to H2S can lead to the formation of pulmonary edema. However, the mechanisms of how H2S facilitates edema formation are poorly understood. Since edema formation can be enhanced by an impaired clearance of electrolytes and, consequently, fluid across the alveolar epithelium, it was questioned whether H2S may interfere with transepithelial electrolyte absorption. Electrolyte absorption was electrophysiologically measured across native distal lung preparations (Xenopus laevis) in Ussing chambers. The exposure of lung epithelia to H2S decreased net transepithelial electrolyte absorption. This was due to an impairment of amiloride-sensitive sodium transport. H2S inhibited the activity of the Na+/K+-ATPase as well as lidocaine-sensitive potassium channels located in the basolateral membrane of the epithelium. Inhibition of these transport molecules diminishes the electrochemical gradient which is necessary for transepithelial sodium absorption. Since sodium absorption osmotically facilitates alveolar fluid clearance, interference of H2S with the epithelial transport machinery provides a mechanism which enhances edema formation in H2S-exposed lungs. PMID:24960042

The effect of annulation of benzene rings on the photophysics and electronic structure of tetraazachlorin molecules

NASA Astrophysics Data System (ADS)

Pershukevich, P. P.; Volkovich, D. I.; Gladkov, L. L.; Dudkin, S. V.; Kuzmitsky, V. A.; Makarova, E. A.; Solovyev, K. N.

2017-10-01

The photophysics and electronic structure of tribenzotetraazachlorins (H2, Zn, and Mg), which are novel analogues of phtalocyanines, have been studied experimentally and theoretically. At 293 K, the electronic absorption, fluorescence, and fluorescence excitation spectra are recorded and the fluorescence quantum yield and lifetime, as well as the quantum yield of singlet oxygen generation, are measured; at 77 K, the fluorescence, fluorescence excitation, and fluorescence polarization spectra are recorded and the fluorescence lifetime values are measured. The dependences of the absorption spectra and photophysical parameters on the structure variation are analyzed in detail. Quantum-chemical calculations of the electronic structure and absorption spectra of tribenzotetraazachlorins (H2, Mg) are performed using the INDO/Sm method (modified INDO/S method) based on molecular-geometry optimization by the DFT PBE/TZVP method. The results of quantum-chemical calculations of the electronic absorption spectra are in very good agreement with the experimental data for the transitions to two lower electronic states.

Anharmonicity and Octahedral Tilting in Hybrid Vacancy-Ordered Double Perovskites

DOE PAGES

Maughan, Annalise E.; Ganose, Alex M.; Candia, Andrew M.; ...

2017-11-30

The advantageous performance of hybrid organic-inorganic perovskite halide semiconduc- tors in optoelectronic applications motivates studies of their fundamental crystal-chemistry. In particular, recent studies have sought to understand how dipolar, dynamic, and organic cations, such as methylammonium (CH 3 NH 3 + ) and formamidinium (CH(NH 2 ) 2 + ) affect physical properties such as light absorption and charge transport. Here, to probe the influence of organic- inorganic coupling on charge transport, we have prepared the series of vacancy-ordered double perovskite derivatives, A 2SnI 6, where A = Cs +, CH 3NH 3 +, and CH(NH 2) 2 +. Despitemore » nearly identical cubic structures by powder X-ray diffraction, replacement of Cs + with CH 3NH 3 + or CH(NH 2) 2 + reduces conductivity through a reduction in both carrier concentration and carrier mobility. We attribute the trends in electronic behavior to anharmonic lattice dynamics from the formation of hydrogen bonds that yield coupled organic-inorganic dynamics. This anharmonicity manifests as asymmetry of the inter-octahedral I-I pair correlations in the X-ray pair distribution function of the hybrid compounds, which can be modeled by large atomistic ensembles with random rotations of rigid [SnI 6] octahedral units. The presence of soft, anharmonic lattice dynamics holds implications for electron-phonon interactions, as supported by calculation of electron-phonon coupling strength that indicates the formation of more tightly-bound polarons and reduced electron mobilities with increasing cation size. Finally, by exploiting the relatively decoupled nature of the octahedral units in these defect-ordered perovskite variants, we can interrogate the impact of organic-inorganic coupling and lattice anharmonicity on the charge transport behavior of hybrid perovskite halide semiconductors.« less

[Influence of over expression of CsRCA on photosynthesis of cucumber seedlings under high temperature stress.

PubMed

Bi, Huan Gai; Dong, Xu Bing; Liu, Pei Pei; Li, Qing Ming; Ai, Xi Zhen

2016-07-01

In the present work, transgenic cucumber seedlings over expressing CsRCA and wild-type cucumber seedlings '08-1'at three-leaf stage exposed to high temperature (40 ℃, PFD 600 μmol· m -2 · s -1 ) were used to study the regulatory mechanism of photosynthesis by CsRCA. The results showed that the mRNA abundance of rbcL and rbcS as well as the activities of ribulose bisphosphate carboxylic enzyme (Rubisco) and Rubisco activase (RCA) were significantly higher in CsRCA over-expressing cucumber seedlings than in wild type (WT). Following 2-h exposure to high temperature, a notable decrease was observed in photosynthetic rate (P n ), photochemical perfor-mance index based on the absorption of light energy (PI ABS ), activities of Rubisco and RCA as well as the relative expression of rbcL, rbcS and CsRCA in both wild-type cucumber seedlings and transgenic cucumber seedlings. It was found that high temperature stress led to higher W k , a parameter of chlorophyll (Chl) a fluorescence OJIP curve. Furthermore, high temperature greatly reduced the efficiency of electron transfer along the electron transport chain beyond Q A (ψ 0 ) and the quantum yield for electron transport (φ E0 ), indicating that PSII oxygen complexes (OEC) and electron transport chain downstream Q A were inhibited by high temperature. However, the inhibition could be alleviated by over expressing CsRCA in cucumber seedlings. Taken together, our data suggested that over expressing CsRCA improves photosynthesis in cucumber seedlings under high temperature stress by enhancing activities of the Rubisco and RCA, and maintaining the number of active reaction centers.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maughan, Annalise E.; Ganose, Alex M.; Candia, Andrew M.

The advantageous performance of hybrid organic-inorganic perovskite halide semiconduc- tors in optoelectronic applications motivates studies of their fundamental crystal-chemistry. In particular, recent studies have sought to understand how dipolar, dynamic, and organic cations, such as methylammonium (CH 3 NH 3 + ) and formamidinium (CH(NH 2 ) 2 + ) affect physical properties such as light absorption and charge transport. Here, to probe the influence of organic- inorganic coupling on charge transport, we have prepared the series of vacancy-ordered double perovskite derivatives, A 2SnI 6, where A = Cs +, CH 3NH 3 +, and CH(NH 2) 2 +. Despitemore » nearly identical cubic structures by powder X-ray diffraction, replacement of Cs + with CH 3NH 3 + or CH(NH 2) 2 + reduces conductivity through a reduction in both carrier concentration and carrier mobility. We attribute the trends in electronic behavior to anharmonic lattice dynamics from the formation of hydrogen bonds that yield coupled organic-inorganic dynamics. This anharmonicity manifests as asymmetry of the inter-octahedral I-I pair correlations in the X-ray pair distribution function of the hybrid compounds, which can be modeled by large atomistic ensembles with random rotations of rigid [SnI 6] octahedral units. The presence of soft, anharmonic lattice dynamics holds implications for electron-phonon interactions, as supported by calculation of electron-phonon coupling strength that indicates the formation of more tightly-bound polarons and reduced electron mobilities with increasing cation size. Finally, by exploiting the relatively decoupled nature of the octahedral units in these defect-ordered perovskite variants, we can interrogate the impact of organic-inorganic coupling and lattice anharmonicity on the charge transport behavior of hybrid perovskite halide semiconductors.« less

Ionic species produced on gamma radiolysis: Studies by matrix isolation technique—I. Electronic absorption spectra of perfluorosubstituted aromatic radical anions

NASA Astrophysics Data System (ADS)

Shou-te, Lian C. T.; Mittal, Jai P.

The absorption spectra of several perfluorosubstituted aromatic radical anions are compared with the corresponding perhydro compounds in which the various transitions involved have been assigned to those predicted theoretically. The electronic absorption spectra were obtained for pentafluorostyrene, pentafluorobenzaldehyde, pentafluorobenzoic acid, pentafluorobenzonitride, tetrafluorophthalic acid and pentafluoroaniline, by gamma radiolysis in 2-methyltetrahydrofuran at 77 K. A general similarity in the absorption spectra between the perfluorinated and the corresponding perhydro radical anion is observed except for a shift in the absorption band.

Theoretical studies of optics and charge transport in organic conducting oligomers and polymers: Rational design of improved transparent and conducting polymers

NASA Astrophysics Data System (ADS)

Hutchison, Geoffrey Rogers

Theoretical studies on a variety of oligo- and polyheterocycles elucidate their optical and charge transport properties, suggesting new, improved transparent conductive polymers. First-principles calculations provide accurate methodologies for predicting both optical band gaps of neutral and cationic oligomers and intrinsic charge transfer rates. Multidimensional analysis reveals important motifs in chemical tailorability of oligoheterocycle optical and charge transport properties. The results suggest new directions for design of novel materials. Using both finite oligomer and infinite polymer calculations, the optical band gaps in polyheterocycles follow a modified particle-in-a-box formalism, scaling approximately as 1/N (where N is the number of monomer units) in short chains, saturating for long chains. Calculations demonstrate that band structure changes upon heteroatom substitution, (e.g., from polythiophene to polypyrrole) derive from heteroatom electron affinity. Further investigation of chemical variability in substituted oligoheterocycles using multidimensional statistics reveals the interplay between heteroatom and substituent in correlations between structure and redox/optical properties of neutral and cationic species. A linear correlation between band gaps of neutral and cationic species upon oxidation of conjugated oligomers, shows redshifts of optical absorption for most species and blueshifts for small band gap species. Interstrand charge-transport studies focus on two contributors to hopping-style charge transfer rates: internal reorganization energy and the electronic coupling matrix element. Statistical analysis of chemical variability of reorganization energies in oligoheterocycles proves the importance of reorganization energy in determining intrinsic charge transfer rates (e.g., charge mobility in unsubstituted oligothiophenes). Computed bandwidths across several oligothiophene crystal packing motifs show similar electron and hole bandwidths, and show that well-known tilted and herringbone motifs in oligothiophenes are driven by electrostatic repulsion. Tilted stacks exhibit intrinsic charge-transfer rates smaller than cofacial stacks, but with lower packing energy. Given similar electron and hole bandwidths, a charge injection model explains substitution-modulated majority carrier changes in n- and p-type oligothiophene field-effect transistors.

Advancements in Afterbody Radiative Heating Simulations for Earth Entry

NASA Technical Reports Server (NTRS)

Johnston, Christopher O.; Panesi, Marco; Brandis, Aaron M.

2016-01-01

Four advancements to the simulation of backshell radiative heating for Earth entry are presented. The first of these is the development of a flow field model that treats electronic levels of the dominant backshell radiator, N, as individual species. This is shown to allow improvements in the modeling of electron-ion recombination and two-temperature modeling, which are shown to increase backshell radiative heating by 10 to 40%. By computing the electronic state populations of N within the flow field solver, instead of through the quasi-steady state approximation in the radiation code, the coupling of radiative transition rates to the species continuity equations for the levels of N, including the impact of non-local absorption, becomes feasible. Implementation of this additional level of coupling between the flow field and radiation codes represents the second advancement presented in this work, which is shown to increase the backshell radiation by another 10 to 50%. The impact of radiative transition rates due to non-local absorption indicates the importance of accurate radiation transport in the relatively complex flow geometry of the backshell. This motivates the third advancement, which is the development of a ray-tracing radiation transport approach to compute the radiative transition rates and divergence of the radiative flux at every point for coupling to the flow field, therefore allowing the accuracy of the commonly applied tangent-slab approximation to be assessed for radiative source terms. For the sphere considered at lunar-return conditions, the tangent-slab approximation is shown to provide a sufficient level of accuracy for the radiative source terms, even for backshell cases. This is in contrast to the agreement between the two approaches for computing the radiative flux to the surface, which differ by up to 40%. The final advancement presented is the development of a nonequilibrium model for NO radiation, which provides significant backshell radiation at velocities below 10 km/s. The developed model reduces the nonequilibrium NO radiation by 50% relative to the previous model.

First principles study of electronic properties, interband transitions and electron energy loss of α-graphyne

NASA Astrophysics Data System (ADS)

Behzad, Somayeh

2016-04-01

The electronic and optical properties of α-graphyne sheet are investigated by using density functional theory. The results confirm that α-graphyne sheet is a zero-gap semimetal. The optical properties of the α-graphyne sheet such as dielectric function, refraction index, electron energy loss function, reflectivity, absorption coefficient and extinction index are calculated for both parallel and perpendicular electric field polarizations. The optical spectra are strongly anisotropic along these two polarizations. For (E ∥ x), absorption edge is at 0 eV, while there is no absorption below 8 eV for (E ∥ z).

Spatio-temporal analysis of the electron power absorption in electropositive capacitive RF plasmas based on moments of the Boltzmann equation

NASA Astrophysics Data System (ADS)

Schulze, J.; Donkó, Z.; Lafleur, T.; Wilczek, S.; Brinkmann, R. P.

2018-05-01

Power absorption by electrons from the space- and time-dependent electric field represents the basic sustaining mechanism of all radio-frequency driven plasmas. This complex phenomenon has attracted significant attention. However, most theories and models are, so far, only able to account for part of the relevant mechanisms. The aim of this work is to present an in-depth analysis of the power absorption by electrons, via the use of a moment analysis of the Boltzmann equation without any ad-hoc assumptions. This analysis, for which the input quantities are taken from kinetic, particle based simulations, allows the identification of all physical mechanisms involved and an accurate quantification of their contributions. The perfect agreement between the sum of these contributions and the simulation results verifies the completeness of the model. We study the relative importance of these mechanisms as a function of pressure, with high spatial and temporal resolution, in an electropositive argon discharge. In contrast to some widely accepted previous models we find that high space- and time-dependent ambipolar electric fields outside the sheaths play a key role for electron power absorption. This ambipolar field is time-dependent within the RF period and temporally asymmetric, i.e., the sheath expansion is not a ‘mirror image’ of the sheath collapse. We demonstrate that this time-dependence is mainly caused by a time modulation of the electron temperature resulting from the energy transfer to electrons by the ambipolar field itself during sheath expansion. We provide a theoretical proof that this ambipolar electron power absorption would vanish completely, if the electron temperature was constant in time. This mechanism of electron power absorption is based on a time modulated electron temperature, markedly different from the Hard Wall Model, of key importance for energy transfer to electrons on time average and, thus, essential for the generation of capacitively coupled plasmas.

The Mimas ghost revisited - An analysis of the electron flux and electron microsignatures observed in the vicinity of Mimas at Saturn

NASA Technical Reports Server (NTRS)

Chenette, D. L.; Stone, E. C.

1983-01-01

An analysis of the electron-absorption signature observed by the cosmic-ray system on Voyager 2 near the orbit of Mimas is presented. It is found that these observations cannot be explained as the absorption signature of Mimas. By combining Pioneer 11 and Voyager 2 measurements of the electron flux at Mimas's orbit (L = 3.1), an electron spectrum is found in which most of the flux above about 100 keV is concentrated near 1 to 3 MeV. This spectral form is qualitatively consistent with the bandpass filter model of Van Allen et al. (1980). The expected Mimas absorption signature is calculated from this spectrum neglecting radial diffusion. Since no Mimas absorption signature was observed in the inbound Voyager 2 data, a lower limit on the diffusion coefficient for MeV electrons at L = 3.1 of D greater than 10 to the -8th sq Saturn radii/sec is obtained. With a diffusion coefficient this large, both the Voyager 2 and the Pioneer 11 small-scale electron-absorption-signature observations in Mimas's orbit are enigmatic. Thus the mechanism for producing these signatures is referred to as the Mimas ghost. A cloud of material in orbit with Mimas may account for the observed electron signature if the cloud is at least 1-percent opaque to electrons across a region extending over a few hundred kilometers.

A model of recovering the parameters of fast nonlocal heat transport in magnetic fusion plasmas

NASA Astrophysics Data System (ADS)

Kukushkin, A. B.; Kulichenko, A. A.; Sdvizhenskii, P. A.; Sokolov, A. V.; Voloshinov, V. V.

2017-12-01

A model is elaborated for interpreting the initial stage of the fast nonlocal transport events, which exhibit immediate response, in the diffusion time scale, of the spatial profile of electron temperature to its local perturbation, while the net heat flux is directed opposite to ordinary diffusion (i.e. along the temperature gradient). We solve the inverse problem of recovering the kernel of the integral equation, which describes nonlocal (superdiffusive) transport of energy due to emission and absorption of electromagnetic (EM) waves with long free path and strong reflection from the vacuum vessel’s wall. To allow for the errors of experimental data, we use the method based on the regularized (in the framework of an ill-posed problem, using the parametric models) approximation of available experimental data. The model is applied to interpreting the data from stellarator LHD and tokamak TFTR. The EM wave transport is considered here in the single-group approximation, however the limitations of the physics model enable us to identify the spectral range of the EM waves which might be responsible for the observed phenomenon.

Simplification of the laser absorption process in the particle simulation for the laser-induced shockwave processing

NASA Astrophysics Data System (ADS)

Shimamura, Kohei

2016-09-01

To reduce the computational cost in the particle method for the numerical simulation of the laser plasma, we examined the simplification of the laser absorption process. Because the laser frequency is sufficiently larger than the collision frequency between the electron and heavy particles, we assumed that the electron obtained the constant value from the laser irradiation. First of all, the simplification of the laser absorption process was verified by the comparison of the EEDF and the laser-absorptivity with PIC-FDTD method. Secondary, the laser plasma induced by TEA CO2 laser in Argon atmosphere was modeled using the 1D3V DSMC method with the simplification of the laser-absorption. As a result, the LSDW was observed with the typical electron and neutral density distribution.

Two-photon absorption of soft X-ray free electron laser radiation by graphite near the carbon K-absorption edge

NASA Astrophysics Data System (ADS)

Lam, Royce K.; Raj, Sumana L.; Pascal, Tod A.; Pemmaraju, C. D.; Foglia, Laura; Simoncig, Alberto; Fabris, Nicola; Miotti, Paolo; Hull, Christopher J.; Rizzuto, Anthony M.; Smith, Jacob W.; Mincigrucci, Riccardo; Masciovecchio, Claudio; Gessini, Alessandro; De Ninno, Giovanni; Diviacco, Bruno; Roussel, Eleonore; Spampinati, Simone; Penco, Giuseppe; Di Mitri, Simone; Trovò, Mauro; Danailov, Miltcho B.; Christensen, Steven T.; Sokaras, Dimosthenis; Weng, Tsu-Chien; Coreno, Marcello; Poletto, Luca; Drisdell, Walter S.; Prendergast, David; Giannessi, Luca; Principi, Emiliano; Nordlund, Dennis; Saykally, Richard J.; Schwartz, Craig P.

2018-07-01

We have examined the transmission of soft X-ray pulses from the FERMI free electron laser through carbon films of varying thickness, quantifying nonlinear effects of pulses above and below the carbon K-edge. At typical of soft X-ray free electron laser intensities, pulses exhibit linear absorption at photon energies above and below the K-edge, ∼308 and ∼260 eV, respectively; whereas two-photon absorption becomes significant slightly below the K-edge, ∼284.2 eV. The measured two-photon absorption cross section at 284.18 eV (∼6 × 10-48 cm4 s) is 7 orders of magnitude above what is expected from a simple theory based on hydrogen-like atoms - a result of resonance effects.

Hot-electron-mediated surface chemistry: toward electronic control of catalytic activity.

PubMed

Park, Jeong Young; Kim, Sun Mi; Lee, Hyosun; Nedrygailov, Ievgen I

2015-08-18

Energy dissipation at surfaces and interfaces is mediated by excitation of elementary processes, including phonons and electronic excitation, once external energy is deposited to the surface during exothermic chemical processes. Nonadiabatic electronic excitation in exothermic catalytic reactions results in the flow of energetic electrons with an energy of 1-3 eV when chemical energy is converted to electron flow on a short (femtosecond) time scale before atomic vibration adiabatically dissipates the energy (in picoseconds). These energetic electrons that are not in thermal equilibrium with the metal atoms are called "hot electrons". The detection of hot electron flow under atomic or molecular processes and understanding its role in chemical reactions have been major topics in surface chemistry. Recent studies have demonstrated electronic excitation produced during atomic or molecular processes on surfaces, and the influence of hot electrons on atomic and molecular processes. We outline research efforts aimed at identification of the intrinsic relation between the flow of hot electrons and catalytic reactions. We show various strategies for detection and use of hot electrons generated by the energy dissipation processes in surface chemical reactions and photon absorption. A Schottky barrier localized at the metal-oxide interface of either catalytic nanodiodes or hybrid nanocatalysts allows hot electrons to irreversibly transport through the interface. We show that the chemicurrent, composed of hot electrons excited by the surface reaction of CO oxidation or hydrogen oxidation, correlates well with the turnover rate measured separately by gas chromatography. Furthermore, we show that hot electron flows generated on a gold thin film by photon absorption (or internal photoemission) can be amplified by localized surface plasmon resonance. The influence of hot charge carriers on the chemistry at the metal-oxide interface are discussed for the cases of Au, Ag, and Pt nanoparticles on oxide supports and Pt-CdSe-Pt nanodumbbells. We show that the accumulation or depletion of hot electrons on metal nanoparticles, in turn, can also influence catalytic reactions. Mechanisms suggested for hot-electron-induced chemical reactions on a photoexcited plasmonic metal are discussed. We propose that the manipulation of the flow of hot electrons by changing the electrical characteristics of metal-oxide and metal-semiconductor interfaces can give rise to the intriguing capability of tuning the catalytic activity of hybrid nanocatalysts.

The elusive role of Nb_Li bound polaron energy in hopping charge transport in Fe : LiNbO₃.

PubMed

Guilbert, Laurent; Vittadello, Laura; Bazzan, Marco; Mhaouech, Imed; Messerschmidt, Simon; Imlau, M

2018-02-06

Charge transport due to small polarons hopping among defective (bound polarons) and regular (free polarons) sites is shown to depend in a non-trivial way from the value of the stabilization energy provided by the lattice distortion surrounding the charge carriers. This energy, normally not directly accessible for bound polarons by spectroscopic techniques, is here determined by a combination of experimental and numerical methods for the important case of small electron polarons bound to \\mathrm{Nb}_{\\mathrm{Li}} defects in the prototype ferroelectric oxide lithium niobate. Our findings provide an estimation of the \\mathrm{Nb}_{\\mathrm{Li}} polaron stabilization energy E_{GP}=\\unit[(0.75\\pm0.05)]{eV} and point out that in lithium niobate both free and bound polarons contributes to charge transport already at room temperature, explaining the fast decays of the light-induced bound polaron population observed by transient absorption spectroscopy. © 2018 IOP Publishing Ltd.

Improved Carrier Transport in Perovskite Solar Cells Probed by Femtosecond Transient Absorption Spectroscopy.

PubMed

Serpetzoglou, Efthymis; Konidakis, Ioannis; Kakavelakis, George; Maksudov, Temur; Kymakis, Emmanuel; Stratakis, Emmanuel

2017-12-20

CH 3 NH 3 PbI 3 perovskite thin films have been deposited on glass/indium tin oxide/hole transport layer (HTL) substrates, utilizing two different materials as the HTLs. In the first configuration, the super hydrophilic polymer poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate), known as PEDOT:PSS, was employed as the HTL material, whereas in the second case, the nonwetting poly(triarylamine) semiconductor polymer, known as PTAA, was used. It was found that when PTAA is used as the HTL material, the averaged power conversion efficiency (PCE) of the perovskite solar cells (PSCs) remarkably increases from 12.60 to 15.67%. To explore the mechanism behind this enhancement, the aforementioned perovskite/HTL arrangements were investigated by time-resolved transient absorption spectroscopy (TAS) performed under inert conditions. By means of TAS, the charge transfer, carrier trapping, and hole injection dynamics from the photoexcited perovskite layers to the HTL can be directly monitored via the characteristic bleaching profile of the perovskite at ∼750 nm. TAS studies revealed faster relaxation times and decay dynamics when the PTAA polymer is employed, which potentially account for the enhanced PCE observed. The TAS results are correlated with the structure and crystalline quality of the corresponding perovskite films, investigated by scanning electron microscopy, X-ray diffraction, atomic force microscopy, micro-photoluminescence, and transmittance spectroscopy. It is concluded that TAS is a benchmark technique for the understanding of the carrier transport mechanisms in PSCs and constitutes a figure-of-merit tool toward their efficiency improvement.

Charge transport mechanism analysis of Al/CdS:Sr{sup 2+}/ITO device under dark and light

DOE Office of Scientific and Technical Information (OSTI.GOV)

Datta, Joydeep; Das, Mrinmay; Dey, Arka

2016-05-06

In this study, we have synthesized CdS:Sr{sup 2+} by hydrothermal technique. Material property has been studied by X-ray diffraction (XRD), Scanning electron microscope (SEM) and UV-vis absorption spectroscopy. XRD data revealed that there are mixed phases of CdS and SrS in the synthesized sample. The optical band gap of the material was estimated as 3.15 eV from UV-vis data. The synthesized material has been applied in metal-semiconductor device and transport properties have been analyzed by measuring current–voltage characteristics under dark and light conditions at room temperature. Variation in different device parameters like ideality factor, barrier height and series resistance ofmore » Al/CdS:Sr{sup 2+}/ITO device were analyzed by using Cheung’s function.« less

Effect of proinflammatory interleukins on jejunal nutrient transport

PubMed Central

Hardin, J; Kroeker, K; Chung, B; Gall, D

2000-01-01

AIM—We examined the effect of proinflammatory and anti-inflammatory interleukins on jejunal nutrient transport and expression of the sodium-glucose linked cotransporter (SGLT-1).
METHODS—3-O-methyl glucose and L-proline transport rates were examined in New Zealand White rabbit stripped, short circuited jejunal tissue. The effects of the proinflammatory cytokines interleukin (IL)-1α, IL-6, and IL-8, IL-1α plus the specific IL-1 antagonist, IL-1ra, and the anti-inflammatory cytokine IL-10 were investigated. In separate experiments, passive tissue permeability was assessed and brush border SGLT-1 expression was measured by western blot in tissues exposed to proinflammatory interleukins.
RESULTS—The proinflammatory interleukins IL-6, IL-1α, and IL-8 significantly increased glucose absorption compared with control levels. This increase in glucose absorption was due to an increase in mucosal to serosal flux. IL-1α and IL-8 also significantly increased L-proline absorption due to an increase in absorptive flux. The anti-inflammatory IL-10 had no effect on glucose transport. The receptor antagonist IL-1ra blocked the ability of IL-1α to stimulate glucose transport. IL-8 had no effect on passive tissue permeability. SGLT-1 content did not differ in brush border membrane vesicles (BBMV) from control or interleukin treated tissue.
CONCLUSIONS—These findings suggest that intestinal inflammation and release of inflammatory mediators such as interleukins increase nutrient absorption in the gut. The increase in glucose transport does not appear to be due to changes in BBMV SGLT-1 content.


Keywords: glucose transport; small intestine; intestinal inflammation; inflammation PMID:10896908

MATHEMATICAL MODELING OF OZONE ABSORPTION IN THE LOWER RESPIRATORY TRACT

EPA Science Inventory

A mathematical O3 dosimetry model has been developed for simulating the local absorption of O3 in the lower respiratory tract (LRT) of animals and man. The model takes into account LRT anatomy, transport in the lumen and air spaces, transport and chemical reactions in the liquid ...

Inductive Electron Heating Revisited

NASA Astrophysics Data System (ADS)

Tuszewski, M.

1996-11-01

Inductively Coupled Plasmas (ICPs) have been studied for over a century. Recently, ICPs have been rediscovered by the multi-billion dollar semiconductor industry as an important class of high-density, low-pressure plasma sources suitable for the manufacture of next-generation integrated circuits. Present low-pressure ICP development is among the most active areas of plasma research. However, this development remains largely empirical, a prohibitively expensive approach for upcoming 300-mm diameter wafers. Hence, there is an urgent need for basic ICP plasma physics research, including experimental characterization and predictive numerical modeling. Inductive radio frequency (rf) power absorption is fundamental to the ICP electron heating and the resulting plasma transport but remains poorly understood. For example, recent experimental measurements and supporting fluid calculationsfootnote M. Tuszewski, Phys. Rev. Lett. 77 in press (1996) on a commercial deposition tool prototype show that the induced rf magnetic fields in the source can cause an order of magnitude reduction in plasma conductivity and in electron heating power density. In some cases, the rf fields penetrate through the entire volume of the ICP discharges while existing models that neglect the induced rf magnetic fields predict rf absorption in a thin skin layer near the plasma surface. The rf magnetic fields also cause more subtle changes in the plasma density and in the electron temperature spatial distributions. These data will be presented and the role of basic research in the applied world of semiconductor manufacturing will be discussed. ^*This research was conducted under the auspices of the U.S. DOE, supported by funds provided by the University of California for discretionary research by Los Alamos National Laboratory.

Ex-vivo absorption study of lysine R-lipoate salt, a new pharmaceutical form of R-ALA.

PubMed

Amenta, Francesco; Buccioni, Michela; Ben, Diego Dal; Lambertucci, Catia; Navia, Aleix Martí; Ngouadjeu Ngnintedem, Michael A; Ricciutelli, Massimo; Spinaci, Andrea; Volpini, Rosaria; Marucci, Gabriella

2018-06-15

Alpha-lipoic acid (ALA) oral supplements were used in many pathologies associated with increased oxidative stress. Although only R-ALA is considered the biologically active form, R,S-ALA is used in therapeutic applications even showing poor water solubility. The aim of this work was to study the absorption and transport mechanism across the intestinal barrier of new R-ALA stable and water soluble form, consisting in the lysine R-ALA salt, in presence and absence of specific inhibitors of Na + /multivitamin (SMVT) and monocarboxylic acids (MCT). The absorption of a new ALA form was investigated at rat everted sacs in comparison with R-ALA, S-ALA, and R,S-ALA. Results showed that duodenum is the best portion of intestine for ALA forms absorption. The absorption percentage of R-ALA, S-ALA, R,S-ALA, and lysine R-ALA salt was 66%, 43%, 55%, and 70%, respectively. The modest effect of the SMVT inhibitor biotin demonstrated that this transporter system is not principally involved in the absorption of lysine R-lipoate salt across the rat intestinal barrier. On the contrary, the MCT inhibitor octanoic acid significantly reduced the transport of this salt, whit an absorption decrease of R-ALA and lysine R-lipoate salt of 28% and 24%, respectively. Since the highest concentration of these inhibitors did not completely inhibit the absorption of lysine R-lipoate salt, other transport mechanisms probably operate for its intracellular delivery. The new form of ALA, lysine R-lipoate salt, was the most absorbed respect to the other ALA forms demonstrating that this compound is more suitable for oral administration. This new salt could represent a promising candidate for ALA oral supplementation. Copyright © 2018 Elsevier B.V. All rights reserved.

Transient absorption phenomena and related structural transformations in femtosecond laser-excited Si

NASA Astrophysics Data System (ADS)

Kudryashov, Sergey I.

2004-09-01

Analysis of processes affecting transient optical absorption and photogeneration of electron-hole plasma in silicon pumped by an intense NIR or visible femtosecond laser pulse has been performed taking into account the most important electron-photon, electron-electron and electron-phonon interactions and, as a result, two main regimes of such laser-matter interaction have been revealed. The first regime is concerned with indirect interband optical absorption in Si, enhanced by a coherent shrinkage of its smallest indirect bandgap due to dynamic Franz-Keldysh effect (DFKE). The second regime takes place due to the critical renormalization of the Si direct bandgap along Λ-axis of its first Brillouin zone because of DFKE and the deformation potential electron-phonon interaction and occurs as intense direct single-photon excitation of electrons into one of the quadruplet of equivalent Λ-valleys in the lowest conduction band, which is split down due to the electron-phonon interaction.

Highly Soluble Benzo[ghi]perylenetriimide Derivatives: Stable and Air-Insensitive Electron Acceptors for Artificial Photosynthesis.

PubMed

Chen, Hung-Cheng; Hsu, Chao-Ping; Reek, Joost N H; Williams, René M; Brouwer, Albert M

2015-11-01

A series of new benzo[ghi]perylenetriimide (BPTI) derivatives has been synthesized and characterized. These remarkably soluble BPTI derivatives show strong optical absorption in the range of λ=300-500 nm and have a high triplet-state energy of 1.67 eV. A cyanophenyl substituent renders BPTI such a strong electron acceptor (Ered =-0.11 V vs. the normal hydrogen electrode) that electron-trapping reactions with O2 and H2 O do not occur. The BPTI radical anion on a fluorine-doped tin oxide|TiO2 electrode is persistent up to tens of seconds (t1/2 =39 s) in air-saturated buffer solution. As a result of favorable packing, theoretical electron mobilities (10(-2) ∼10(-1) cm(2) V(-1) s(-1)) are high and similar to the experimental values observed for perylene diimide and C60 derivatives. Our studies show the potential of the cyanophenyl-modified BPTI compounds as electron acceptors in devices for artificial photosynthesis in water splitting that are also very promising nonfullerene electron-transport materials for organic solar cells. © 2015 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Radiation transport in kinetic simulations and the influence of photoemission on electron current in self-sustaining discharges

DOE PAGES

Fierro, Andrew S.; Moore, Christopher Hudson; Scheiner, Brett; ...

2017-01-12

A kinetic description for electronic excitation of helium for principal quantum number nmore » $$\\leqslant $$ 4 has been included into a particle-in-cell (PIC) simulation utilizing direct simulation Monte Carlo (DSMC) for electron-neutral interactions. The excited electronic levels radiate state-dependent photons with wavelengths from the extreme ultraviolet (EUV) to visible regimes. Photon wavelengths are chosen according to a Voigt distribution accounting for the natural, pressure, and Doppler broadened linewidths. This method allows for reconstruction of the emission spectrum for a non-thermalized electron energy distribution function (EEDF) and investigation of high energy photon effects on surfaces, specifically photoemission. A parallel plate discharge with a fixed field (i.e. space charge neglected) is used to investigate the effects of including photoemission for a Townsend discharge. When operating at a voltage near the self-sustaining discharge threshold, it is observed that the electron current into the anode is higher when including photoemission from the cathode than without even when accounting for self-absorption from ground state atoms. As a result, the photocurrent has been observed to account for as much as 20% of the total current from the cathode under steady-state conditions.« less

Absorption characteristic of paeoniflorin-6'-O-benzene sulfonate (CP-25) in in situ single-pass intestinal perfusion in rats.

PubMed

Yang, Xiao-Dan; Wang, Chun; Zhou, Peng; Yu, Jun; Asenso, James; Ma, Yong; Wei, Wei

2016-09-01

1. Paeoniflorin-6'-O-benzene sulfonate (CP-25) was synthesized to improve the poor oral absorption of paeoniflorin (Pae). 2. This study was performed to investigate the absorptive behavior and mechanism of CP-25 in in situ single-pass intestinal perfusion in rats, using Pae as a control. 3. The results showed that intestinal absorption of CP-25 was neither segmental nor sex dependent. However, the main segment of intestine that absorbed Pae was the duodenum. Furthermore, passive transport was confirmed to be the main absorption pattern of CP-25. More importantly, the absorption of CP-25 was much higher than Pae in the small intestine. 4. Among the ABC transporter inhibitors, the absorption rate of Pae increased in the presence of P-gp inhibitors verapamil and GF120918, which indicated that Pae was a substrate of P-glycoprotein (P-gp), however, such was not observed in the presence of breast cancer resistance protein and multidrug resistance-associated protein 2. Finally, the ABC transporter inhibitors did not have any significant impact on CP-25 as demonstrated in the parallel studies. 5. CP-25 could improve the poor absorption of Pae, which may be attributed to both the lipid solubility enhancement and its resistance to P-gp-mediated efflux.

Organic Solar Cells: Understanding the Role of Förster Resonance Energy Transfer

PubMed Central

Feron, Krishna; Belcher, Warwick J.; Fell, Christopher J.; Dastoor, Paul C.

2012-01-01

Organic solar cells have the potential to become a low-cost sustainable energy source. Understanding the photoconversion mechanism is key to the design of efficient organic solar cells. In this review, we discuss the processes involved in the photo-electron conversion mechanism, which may be subdivided into exciton harvesting, exciton transport, exciton dissociation, charge transport and extraction stages. In particular, we focus on the role of energy transfer as described by Förster resonance energy transfer (FRET) theory in the photoconversion mechanism. FRET plays a major role in exciton transport, harvesting and dissociation. The spectral absorption range of organic solar cells may be extended using sensitizers that efficiently transfer absorbed energy to the photoactive materials. The limitations of Förster theory to accurately calculate energy transfer rates are discussed. Energy transfer is the first step of an efficient two-step exciton dissociation process and may also be used to preferentially transport excitons to the heterointerface, where efficient exciton dissociation may occur. However, FRET also competes with charge transfer at the heterointerface turning it in a potential loss mechanism. An energy cascade comprising both energy transfer and charge transfer may aid in separating charges and is briefly discussed. Considering the extent to which the photo-electron conversion efficiency is governed by energy transfer, optimisation of this process offers the prospect of improved organic photovoltaic performance and thus aids in realising the potential of organic solar cells. PMID:23235328

Design of butterfly type organic dye sensitizers with double electron donors: The first principle study

NASA Astrophysics Data System (ADS)

Yang, Zhenqing; Shao, Di; Li, Juan; Tang, Lian; Shao, Changjin

2018-05-01

In this work, we designed a series of butterfly type organic dyes, named ME07-ME13 by introducing such as triphenylamine, phenothiazine, coumarin groups etc. as electron donors and further investigated their absorption spectra using density functional theory (DFT) and time-dependent DFT (TDDFT). All designed dyes cover the entire visible absorption spectrum from 300 to 800 nm. It's fascinating that ME13 molecule has two absorption peak and the molar coefficient of two absorption peaks are above 4.645 × 104 M-1·cm-1. The light absorption area of ME13 exhibits an increment of 16.5-19.1% compared to ME07-ME12. Furthermore, we performed a detailed analysis on their geometrical and electronic properties, including molecular structures, energy levels, light harvesting efficiency (LHE), driving force (ΔGinject), regeneration (ΔGregen),electron dipole moments (μnormal), intermolecular electron transfer and dye/(TiO2)38 system electron transitions. The results of calculation reveal that double coumarin donors in ME13 are promising functional groups for butterfly type organic dye sensitizers. It is expected that the design of double donors can provide a new strategy and guidance for the investigation in high efficiency dye-sensitized devices.

Ab initio calculation of the electronic absorption spectrum of liquid water

NASA Astrophysics Data System (ADS)

Martiniano, Hugo F. M. C.; Galamba, Nuno; Cabral, Benedito J. Costa

2014-04-01

The electronic absorption spectrum of liquid water was investigated by coupling a one-body energy decomposition scheme to configurations generated by classical and Born-Oppenheimer Molecular Dynamics (BOMD). A Frenkel exciton Hamiltonian formalism was adopted and the excitation energies in the liquid phase were calculated with the equation of motion coupled cluster with single and double excitations method. Molecular dynamics configurations were generated by different approaches. Classical MD were carried out with the TIP4P-Ew and AMOEBA force fields. The BLYP and BLYP-D3 exchange-correlation functionals were used in BOMD. Theoretical and experimental results for the electronic absorption spectrum of liquid water are in good agreement. Emphasis is placed on the relationship between the structure of liquid water predicted by the different models and the electronic absorption spectrum. The theoretical gas to liquid phase blue-shift of the peak positions of the electronic absorption spectrum is in good agreement with experiment. The overall shift is determined by a competition between the O-H stretching of the water monomer in liquid water that leads to a red-shift and polarization effects that induce a blue-shift. The results illustrate the importance of coupling many-body energy decomposition schemes to molecular dynamics configurations to carry out ab initio calculations of the electronic properties in liquid phase.

Steroids alter ion transport and absorptive capacity in proximal and distal colon.

PubMed

Sellin, J H; DeSoignie, R C

1985-07-01

Steroids are potent absorbagogues, increasing Na and fluid absorption in a variety of epithelia. This study characterizes the in vitro effects of pharmacological doses of gluco- and mineralocorticoids on transport parameters of rabbit proximal and distal colon. Treatment with methylprednisolone (MP, 40 mg im for 2 days) and desoxycortone acetate (DOCA, 12.5 mg im for 3 days) resulted in a significant increase in short-circuit current (Isc) in distal colon, suggesting an increase in basal Na absorption. Amiloride (10(-4) M) caused a significantly negative Isc in MP-treated tissue, demonstrating a steroid-induced, amiloride-insensitive electrogenic ion transport in distal colon. The effect of two absorbagogues, impermeant anions (SO4-Ringer) and amphotericin, were compared in control and steroid-treated distal colon. In controls, both absorbagogues increased Isc. Impermeant anions caused a rise in Isc in both MP and DOCA tissues, suggesting that the high rate of basal Na absorption had not caused a saturation of the Na pump. The steroid-treated colons, however, did not consistently respond to amphotericin. Amiloride inhibited the entire Isc in MP-treated distal colon that had been exposed to amphotericin; this suggested that amphotericin had not exerted its characteristic effect on the apical membrane of steroid-treated colon. In proximal colon, steroids did not alter basal rates of transport; however, epinephrine-induced Na-Cl absorption was significantly greater in MP-treated vs control (P less than 0.005). Steroids increase the absorptive capacity of both proximal and distal colon for Na, while increasing basal Na absorption only in the distal colon.(ABSTRACT TRUNCATED AT 250 WORDS)

[Important application of intestinal transporters and metabolism enzymes on gastrointestinal disposal of active ingredients of Chinese materia medica].

PubMed

Bi, Xiaolin; Du, Qiu; Di, Liuqing

2010-02-01

Oral drug bioavailability depends on gastrointestinal absorption, intestinal transporters and metabolism enzymes are the important factors in drug gastrointestinal absorption and they can also be induced or inhibited by the active ingredients of Chinese materia medica. This article presents important application of intestinal transporters and metabolism enzymes on gastrointestinal disposal of the active ingredients of Chinese materia medica, and points out the importance of research on transport and metabolism of the active ingredients of Chinese materia medica in Chinese extract and Chinese medicinal formulae.

A nonviral transfection approach in vitro: the design of a gold nanoparticle vector joint with microelectromechanical systems.

PubMed

Jen, Chun-Ping; Chen, Yu-Hung; Fan, Chun-sheng; Yeh, Chen-Sheng; Lin, Yu-Cheng; Shieh, Dar-Bin; Wu, Chao-Ling; Chen, Dong-Hwang; Chou, Chen-Hsi

2004-02-17

Au nanoparticles modified with 21-base thiolated-oligonucleotides have been evaluated as delivery vehicles for the development of a nonviral transfection platform. The electromigration combined with electroporation for DNA delivery in an osteoblast like cell was employed to test on microchips. Electroporation introduces foreign materials into cells by applying impulses of electric field to induce multiple transient pores on the cell membrane through dielectric breakdown of the cell membrane. On the basis of the characteristic surface plasmon of the Au particles, UV-vis absorption was utilized to qualitatively judge the efficiency of delivery. Transmission electron microscopy images and atomic absorption measurements (quantitative analysis) provided evidence of the bare Au and Au/oligonucleotide nanoparticles before and after electroporation and electromigration function. The experiments demonstrated that electrophoretic migration followed by electroporation significantly enhanced the transportation efficiency of the nanoparticle-oligonucleotide complexes as compared with electroporation alone. Most interestingly, Au capped with oligonucleotides led to optimal performance. On the other hand, the bare Au colloidal suspensions resulted in aggregation, which might be an obstacle to the internalization process. In addition, analytical results demonstrated an increase in the local particle concentrations on the cell surface that provided additional support for the mechanism underlying the improved Au nanoparticle transportation into cells in the presence of electromigration function.

Low-lying singlet states of carotenoids having 8-13 conjugated double bonds as determined by electronic absorption spectroscopy

NASA Astrophysics Data System (ADS)

Wang, Peng; Nakamura, Ryosuke; Kanematsu, Yasuo; Koyama, Yasushi; Nagae, Hiroyoshi; Nishio, Tomohiro; Hashimoto, Hideki; Zhang, Jian-Ping

2005-07-01

Electronic absorption spectra were recorded at room temperature in solutions of carotenoids having different numbers of conjugated double bonds, n = 8-13, including a spheroidene derivatives, neurosporene, spheroidene, lycopene, anhydrorhodovibrin and spirilloxanthin. The vibronic states of 1Bu+(v=0-4), 2Ag-(v=0-3), 3Ag- (0) and 1Bu- (0) were clearly identified. The arrangement of the four electronic states determined by electronic absorption spectroscopy was identical to that determined by measurement of resonance Raman excitation profiles [K. Furuichi et al., Chem. Phys. Lett. 356 (2002) 547] for carotenoids in crystals.

Two-Photon Absorption of Soft X-Ray Free Electron Laser Radiation by Graphite Near the Carbon K-Absorption Edge

DOE Office of Scientific and Technical Information (OSTI.GOV)

Christensen, Steven T; Lam, Royce K.; Raj, Sumana L.

We have examined the transmission of soft X-ray pulses from the FERMI free electron laser through carbon films of varying thickness, quantifying nonlinear effects of pulses above and below the carbon K-edge. At typical of soft X-ray free electron laser intensities, pulses exhibit linear absorption at photon energies above and below the K-edge, ~308 and ~260 eV, respectively; whereas two-photon absorption becomes significant slightly below the K-edge, ~284.2 eV. The measured two-photon absorption cross section at 284.18 eV (~6 x 10-48 cm4 s) is 7 orders of magnitude above what is expected from a simple theory based on hydrogen-like atomsmore » - a result of resonance effects.« less

Diabetes regulates fructose absorption through thioredoxin-interacting protein.

PubMed

Dotimas, James R; Lee, Austin W; Schmider, Angela B; Carroll, Shannon H; Shah, Anu; Bilen, Julide; Elliott, Kayla R; Myers, Ronald B; Soberman, Roy J; Yoshioka, Jun; Lee, Richard T

2016-10-11

Metabolic studies suggest that the absorptive capacity of the small intestine for fructose is limited, though the molecular mechanisms controlling this process remain unknown. Here we demonstrate that thioredoxin-interacting protein (Txnip), which regulates glucose homeostasis in mammals, binds to fructose transporters and promotes fructose absorption by the small intestine. Deletion of Txnip in mice reduced fructose transport into the peripheral bloodstream and liver, as well as the severity of adverse metabolic outcomes resulting from long-term fructose consumption. We also demonstrate that fructose consumption induces expression of Txnip in the small intestine. Diabetic mice had increased expression of Txnip in the small intestine as well as enhanced fructose uptake and transport into the hepatic portal circulation. The deletion of Txnip in mice abolished the diabetes-induced increase in fructose absorption. Our results indicate that Txnip is a critical regulator of fructose metabolism and suggest that a diabetic state can promote fructose uptake.

Collisionless absorption of intense laser radiation in nanoplasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zaretsky, D F; Korneev, Philipp A; Popruzhenko, Sergei V

The rate of linear collisionless absorption of an electromagnetic radiation in a nanoplasma - classical electron gas localised in a heated ionised nanosystem (thin film or cluster) irradiated by an intense femtosecond laser pulse - is calculated. The absorption is caused by the inelastic electron scattering from the self-consistent potential of the system in the presence of a laser field. The effect proves to be appreciable because of a small size of the systems. General expressions are obtained for the absorption rate as a function of the parameters of the single-particle self-consistent potential and electron distribution function in the regimemore » linear in field. For the simplest cases, where the self-consistent field is created by an infinitely deep well or an infinite charged plane, closed analytic expressions are obtained for the absorption rate. Estimates presented in the paper demonstrate that, over a wide range of the parameters of laser pulses and nanostructures, the collisionless mechanism of heating electron subsystem can be dominant. The possibility of experimental observation of the collisionless absorption of intense laser radiation in nanoplasma is also discussed. (interaction of laser radiation with matter)« less

Enhanced laser-energy coupling to dense plasmas driven by recirculating electron currents

NASA Astrophysics Data System (ADS)

Gray, R. J.; Wilson, R.; King, M.; Williamson, S. D. R.; Dance, R. J.; Armstrong, C.; Brabetz, C.; Wagner, F.; Zielbauer, B.; Bagnoud, V.; Neely, D.; McKenna, P.

2018-03-01

The absorption of laser energy and dynamics of energetic electrons in dense plasma is fundamental to a range of intense laser-driven particle and radiation generation mechanisms. We measure the total reflected and scattered laser energy as a function of intensity, distinguishing between the influence of pulse energy and focal spot size on total energy absorption, in the interaction with thin foils. We confirm a previously published scaling of absorption with intensity by variation of laser pulse energy, but find a slower scaling when changing the focal spot size. 2D particle-in-cell simulations show that the measured differences arise due to energetic electrons recirculating within the target and undergoing multiple interactions with the laser pulse, which enhances absorption in the case of large focal spots. This effect is also shown to be dependent on the laser pulse duration, the target thickness and the electron beam divergence. The parameter space over which this absorption enhancement occurs is explored via an analytical model. The results impact our understanding of the fundamental physics of laser energy absorption in solids and thus the development of particle and radiation sources driven by intense laser–solid interactions.

Electronic and Optical Properties of Atomic Layer-Deposited ZnO and TiO2

NASA Astrophysics Data System (ADS)

Ates, H.; Bolat, S.; Oruc, F.; Okyay, A. K.

2018-05-01

Metal oxides are attractive for thin film optoelectronic applications. Due to their wide energy bandgaps, ZnO and TiO2 are being investigated by many researchers. Here, we have studied the electrical and optical properties of ZnO and TiO2 as a function of deposition and post-annealing conditions. Atomic layer deposition (ALD) is a novel thin film deposition technique where the growth conditions can be controlled down to atomic precision. ALD-grown ZnO films are shown to exhibit tunable optical absorption properties in the visible and infrared region. Furthermore, the growth temperature and post-annealing conditions of ZnO and TiO2 affect the electrical properties which are investigated using ALD-grown metal oxide as the electron transport channel on thin film field-effect devices.

Observation of chiral phonons.

PubMed

Zhu, Hanyu; Yi, Jun; Li, Ming-Yang; Xiao, Jun; Zhang, Lifa; Yang, Chih-Wen; Kaindl, Robert A; Li, Lain-Jong; Wang, Yuan; Zhang, Xiang

2018-02-02

Chirality reveals symmetry breaking of the fundamental interaction of elementary particles. In condensed matter, for example, the chirality of electrons governs many unconventional transport phenomena such as the quantum Hall effect. Here we show that phonons can exhibit intrinsic chirality in monolayer tungsten diselenide. The broken inversion symmetry of the lattice lifts the degeneracy of clockwise and counterclockwise phonon modes at the corners of the Brillouin zone. We identified the phonons by the intervalley transfer of holes through hole-phonon interactions during the indirect infrared absorption, and we confirmed their chirality by the infrared circular dichroism arising from pseudoangular momentum conservation. The chiral phonons are important for electron-phonon coupling in solids, phonon-driven topological states, and energy-efficient information processing. Copyright © 2018 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

Photovoltaic studies of Dye Sensitized Solar cells Fabricated from Microwave Exposed Photo anodes

NASA Astrophysics Data System (ADS)

Ramachandran, Anju; Sreekala, C. O.; Sreelatha, K. S.; Jinchu, I.

2018-02-01

The configuration of Dye Sensitized solar cells (DSSC), consists of sintered nanoparticle titanium dioxide film, dyes, electrolyte and counter electrodes. Upon the absorption of photons by the dye molecules, excitons are generated, subsequently electrons are injected into the TiO2 photoanode. Afterward the electrons injected into the TiO2 photoanode, to produce photocurrent, scavenged by redox couple, and the hole transport to the photo cathode. The power conversion efficiency of the device depends on the amount of dye adsorbed by the photoanode. This paper explores in enhancing the efficiency of the device by controlled microwave exposure. With same exposure time, the photoanode is exposed at three different frequencies. SEM analysis is carried out to find the porosity of the photoanode on exposure. Current density is found to have an effect on microwave exposure.

Density Functional Study of Stacking Structures and Electronic Behaviors of AnE-PV Copolymer.

PubMed

Dong, Chuan-Ding; Beenken, Wichard J D

2016-10-10

In this work, we report an in-depth investigation on the π-stacking and interdigitating structures of poly(p-anthracene-ethynylene)-alt-poly(p-phenylene-vinylene) copolymer with octyl and ethyl-hexyl side chains and the resulting electronic band structures using density functional theory calculations. We found that in the π-stacking direction, the preferred stacking structure, determined by the steric effect of the branched ethyl-hexyl side chains, is featured by the anthracene-ethynylene units stacking on the phenylene-vinylene units of the neighboring chains and vice versa. This stacking structure, combined with the interdigitating structure where the branched side chains of the laterally neighboring chains are isolated, defines the energetically favorable structure of the ordered copolymer phase, which provides a good compromise between light absorption and charge-carrier transport.

"Doping" pentacene with sp(2)-phosphorus atoms: towards high performance ambipolar semiconductors.

PubMed

Long, Guankui; Yang, Xuan; Chen, Wangqiao; Zhang, Mingtao; Zhao, Yang; Chen, Yongsheng; Zhang, Qichun

2016-01-28

Recent research progress in black phosphorus sheets strongly encourages us to employ pentacene as a parent system to systematically investigate how the "doping" of sp(2)-phosphorus atoms onto the backbone of pentacene influences its optical and charge transport properties. Our theoretical investigations proved that increasing the contribution of the pz atomic orbital of the sp(2)-phosphorus to the frontier molecular orbital of phosphapentacenes could significantly decrease both hole and electron reorganization energies and dramatically red-shift the absorption of pentacene. The record smallest hole and electron reorganization energies of 69.80 and 95.74 meV for heteropentacene derivatives were obtained. These results suggest that phosphapentacenes (or phosphaacenes) could be potential promising candidates to achieve both higher and balanced mobilities in organic field effect transistors and realize a better power conversion efficiency in organic photovoltaics.

THE ENERGY CONVERSION APPARATUS IN PHOTOSYNTHESIS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sauer, K.

1962-12-01

An analysis of outstanding problems still presenting difficulty with respect to understanding the quantumconversion process in photosynthesis is presented. Considerations of how some of these difficulties may be overcome are included. The dynamic process of energy conversion is considered in terms of photon absorption, electronic energy transfer, trapping in long-lived excited states, primary oxidants and reductants, and the electron transport chain leading to products representing stored chemical potential. The physical structure of the apparatus accomplishing this energy conversion is sought in the framework of the concept of the photosynthetic unit. The nature of this unit--its size, composition, arrangement and orientationmore » of components, internal electrical and polarizability properties, and assembly and aggregation in the chloroplast--and the problems related to its determination are essential considerations in the overall approach to the understanding of the mechanism of energy conversion. (auth)« less

Photon absorption potential coefficient as a tool for materials engineering

NASA Astrophysics Data System (ADS)

Akande, Raphael Oluwole; Oyewande, Emmanuel Oluwole

2016-09-01

Different atoms achieve ionizations at different energies. Therefore, atoms are characterized by different responses to photon absorption in this study. That means there exists a coefficient for their potential for photon absorption from a photon source. In this study, we consider the manner in which molecular constituents (atoms) absorb photon from a photon source. We observe that there seems to be a common pattern of variation in the absorption of photon among the electrons in all atoms on the periodic table. We assume that the electrons closest to the nucleus (En) and the electrons closest to the outside of the atom (Eo) do not have as much potential for photon absorption as the electrons at the middle of the atom (Em). The explanation we give to this effect is that the En electrons are embedded within the nuclear influence, and similarly, Eo electrons are embedded within the influence of energies outside the atom that there exists a low potential for photon absorption for them. Unlike En and Eo, Em electrons are conditioned, such that there is a quest for balance between being influenced either by the nuclear force or forces external to the atom. Therefore, there exists a higher potential for photon absorption for Em electrons than for En and Eo electrons. The results of our derivations and analysis always produce a bell-shaped curve, instead of an increasing curve as in the ionization energies, for all elements in the periodic table. We obtained a huge data of PAPC for each of the several materials considered. The point at which two or more PAPC values cross one another is termed to be a region of conflicting order of ionization, where all the atoms absorb equal portion of the photon source at the same time. At this point, a greater fraction of the photon source is pumped into the material which could lead to an explosive response from the material. In fact, an unimaginable and unreported phenomenon (in physics) could occur, when two or more PAPCs cross, and the material is able to absorb more than that the photon source could provide, at this point. These resulting effects might be of immense materials engineering applications.

Electron photodetachment from gas phase peptide dianions. Relation with optical absorption properties.

PubMed

Joly, Laure; Antoine, Rodolphe; Broyer, Michel; Lemoine, Jérôme; Dugourd, Philippe

2008-02-07

Electron detachment from peptide dianions is studied as a function of the laser wavelength. The first step for the detachment is a resonant electronic excitation of the dianions. Electronic excitation spectra are reported for three peptides, including gramicidin. A comparative study of the detachment yield for 13 peptides was performed at 260 nm and at 220 nm. At 260 nm, the detachment yield is mainly driven by the sum of the absorption coefficients of the aromatic amino acids that are contained in the peptide. At 220 nm, no direct relation is observed between the electron photodetachement yields and the sum of absorption efficiencies. At this wavelength, the sequence and the structure of the peptide may have an influence on the photodetachment process.

Experimental Study of Electron and Phonon Dynamics in Nanoscale Materials by Ultrafast Laser Time-Domain Spectroscopy

NASA Astrophysics Data System (ADS)

Shen, Xiaohan

With the rapid advances in the development of nanotechnology, nowadays, the sizes of elementary unit, i.e. transistor, of micro- and nanoelectronic devices are well deep into nanoscale. For the pursuit of cheaper and faster nanoscale electronic devices, the size of transistors keeps scaling down. As the miniaturization of the nanoelectronic devices, the electrical resistivity increases dramatically, resulting rapid growth in the heat generation. The heat generation and limited thermal dissipation in nanoscale materials have become a critical problem in the development of the next generation nanoelectronic devices. Copper (Cu) is widely used conducting material in nanoelectronic devices, and the electron-phonon scattering is the dominant contributor to the resistivity in Cu nanowires at room temperature. Meanwhile, phonons are the main carriers of heat in insulators, intrinsic and lightly doped semiconductors. The thermal transport is an ensemble of phonon transport, which strongly depends on the phonon frequency. In addition, the phonon transport in nanoscale materials can behave fundamentally different than in bulk materials, because of the spatial confinement. However, the size effect on electron-phonon scattering and frequency dependent phonon transport in nanoscale materials remain largely unexplored, due to the lack of suitable experimental techniques. This thesis is mainly focusing on the study of carrier dynamics and acoustic phonon transport in nanoscale materials. The weak photothermal interaction in Cu makes thermoreflectance measurement difficult, we rather measured the reflectivity change of Cu induced by absorption variation. We have developed a method to separately measure the processes of electron-electron scattering and electron-phonon scattering in epitaxial Cu films by monitoring the transient reflectivity signal using the resonant probe with particular wavelengths. The enhancement on electron-phonon scattering in epitaxial Cu films with thickness less than 100 nm was observed. The longitudinal acoustic phonon transport in silicon (Si) nanorod with confined diameter and length was investigated. The guided phonon modes in Si nanorod with different frequencies and wave vectors were observed. The mean-free-path of the guided phonons in Si nanorod was found to be larger than the effective phonon mean-free-path in Si film, because of the limited phonon scattering channels in Si nanorod. The phonon density of states and dispersion relation strongly depend on the size and boundary conditions of nanorod. Our work demonstrates the possibility of modifying the phonon transport properties in nanoscale materials by designing the size and boundary conditions, hence the control of thermal conductivity. In addition, the periodicity effect of nanostructures on acoustic phonon transport was investigated in silicon dioxide (SiO2) nanorod arrays. The lattice modes and mechanical eigenmodes were observed, and the pitch effect on lattice modes was discussed. A narrowband acoustic phonon spectroscopic technique with tunable frequency and spectral width throughout GHz frequency range has been developed to investigate the frequency-dependent acoustic phonon transport in nanoscale materials. The quadratic frequency dependence of acoustic attenuation of SiO2 and indium tin oxide (ITO) thin films was observed, and the acoustic attenuation of ITO was found to be larger than SiO2. Moreover, the acoustic control on mechanical resonance of nanoscale materials using the narrowband acoustic phonon source was demonstrated in tungsten thin film.

Molecular basis of essential amino acid transport from studies of insect nutrient amino acid transporters of the SLC6 family (NAT-SLC6)

PubMed Central

Boudko, Dmitri Y.

2012-01-01

Two protein families that represent major components of essential amino acid transport in insects have been identified. They are annotated as the SLC6 and SLC7 families of transporters according to phylogenetic proximity to characterized amino acid transporters (HUGO nomenclature). Members of these families have been identified as important apical and basolateral parts of transepithelial essential amino acid absorption in the metazoan alimentary canal. Synergistically, they play critical physiological roles as essential substrate providers to diverse metabolic processes, including generic protein synthesis. This review briefly clarifies the requirements for amino acid transport and a variety of amino acid transport mechanisms, including the aforementioned families. Further it focuses on the large group of Nutrient Amino acid Transporters (NATs), which comprise a recently identified subfamily of the Neurotransmitter Sodium Symporter family (NSS or SLC6). The first insect NAT, cloned from the caterpillar gut, has a broad substrate spectrum similar to mammalian B0 transporters. Several new NAT-SLC6 members have been characterized in an effort to explore mechanisms for the essential amino acid absorption in model dipteran insects. The identification and functional characterization of new B0-like and narrow specificity transporters of essential amino acids in fruit fly and mosquitoes leads to a fundamentally important insight: that NATs evolved and act together as the integrated active core of a transport network that mediates active alimentary absorption and systemic distribution of essential amino acids. This role of NATs is projected from the most primitive prokaryotes to the most complex metazoan organisms, and represents an interesting platform for unraveling the molecular evolution of amino acid transport and modeling amino acid transport disorders. The comparative study of NATs elucidates important adaptive differences between essential amino acid transportomes of invertebrate and vertebrate organisms, outlining a new possibility for selective targeting of essential amino acid absorption mechanisms to control medically and economically important arthropods and other invertebrate organisms. PMID:22230793

Defects with Deep Levels in GaAs Induced by Plastic Deformation and Electron Irradiation

NASA Astrophysics Data System (ADS)

Haga, Toru; Suezawa, Masashi; Sumino, Koji

1988-10-01

Defects with deep electronic energy levels induced by plastic deformation at 450°C or electron irradiation at room temperature in boat-grown GaAs crystals are investigated by means of optical absorption. The optical absorption spectra associated with the induced defects are compared with that of grown-in defects EL2. Thermal stabilities of the defects are studied by tracing the changes in the absorption spectra due to isochronal annealing of the specimens. The defects induced by the above two procedures are identified not to be EL2, even though some part of the defects gives rise to absorption similar to that caused by EL2 in the spectral shape. The absorptions in both the deformed and the irradiated samples are mostly photo-unquenchable. Deformation-induced defects responsible for this absorption are found to be AsGa antisite-related defects which are less thermally stable than EL2. Irradiation-induced defects giving rise to this kind of absorption are far more unstable in comparison with the deformation-induced defects, and are mostly eliminated by annealing at temperatures lower than 300°C.

Phonon-assisted optical absorption in BaSnO 3 from first principles

NASA Astrophysics Data System (ADS)

Monserrat, Bartomeu; Dreyer, Cyrus E.; Rabe, Karin M.

2018-03-01

The perovskite BaSnO3 provides a promising platform for the realization of an earth-abundant n -type transparent conductor. Its optical properties are dominated by a dispersive conduction band of Sn 5 s states and by a flatter valence band of O 2 p states, with an overall indirect gap of about 2.9 eV . Using first-principles methods, we study the optical properties of BaSnO3 and show that both electron-phonon interactions and exact exchange, included using a hybrid functional, are necessary to obtain a qualitatively correct description of optical absorption in this material. In particular, the electron-phonon interaction drives phonon-assisted optical absorption across the minimum indirect gap and therefore determines the absorption onset, and it also leads to the temperature dependence of the absorption spectrum. Electronic correlations beyond semilocal density functional theory are key to determine the dynamical stability of the cubic perovskite structure, as well as the correct energies of the conduction bands that dominate absorption. Our work demonstrates that phonon-mediated absorption processes should be included in the design of novel transparent conductor materials.

Temperature-Induced Large Broadening and Blue Shift in the Electronic Band Structure and Optical Absorption of Methylammonium Lead Iodide Perovskite.

PubMed

Yang, Jia-Yue; Hu, Ming

2017-08-17

The power conversion efficiency of hybrid halide perovskite solar cells is profoundly influenced by the operating temperature. Here we investigate the temperature influence on the electronic band structure and optical absorption of cubic CH 3 NH 3 PbI 3 from first-principles by accounting for both the electron-phonon interaction and thermal expansion. Within the framework of density functional perturbation theory, the electron-phonon coupling induces slightly enlarged band gap and strongly broadened electronic relaxation time as temperature increases. The large broadening effect is mainly due to the presence of cation organic atoms. Consequently, the temperature-dependent absorption peak exhibits blue-shift position, decreased amplitude, and broadened width. This work uncovers the atomistic origin of temperature influence on the optical absorption of cubic CH 3 NH 3 PbI 3 and can provide guidance to design high-performance hybrid halide perovskite solar cells at different operating temperatures.

Theoretical calculations on the electron absorption spectra of selected Polycyclic Aromatic Hydrocarbons (PAH) and derivatives

NASA Technical Reports Server (NTRS)

Du, Ping

1993-01-01

As a theoretical component of the joint effort with the laboratory of Dr. Lou Allamandola to search for potential candidates for interstellar organic carbon compound that are responsible for the visible diffuse interstellar absorption bands (DIB's), quantum mechanical calculations were performed on the electron absorption spectra of selected polycyclic aromatic hydrocarbons (PAH) and derivatives. In the completed project, 15 different species of naphthalene, its hydrogen abstraction and addition derivatives, and corresponding cations and anions were studied. Using semiempirical quantum mechanical method INDO/S, the ground electronic state of each species was evaluated with restricted Hartree-Fock scheme and limited configuration interaction. The lowest energy spin state for each species was used for electron absorption calculations. Results indicate that these calculations are accurate enough to reproduce the spectra of naphthalene cation and anion observed in neon matrix. The spectral pattern of the hydrogen abstraction and addition derivatives predicted based on these results indicate that the electron configuration of the pi orbitals of these species is the dominant determinant. A combined list of 19 absorptions calculated from 4500 A to 10,400 A were compiled and suggested as potential candidates that are relevant for the DIB's absorptions. Continued studies on pyrene and derivatives revealed the ground state symmetries and multiplicities of its neutral, anionic, and cationic species. Spectral calculations show that the cation (B(sub 3g)-2) and the anion (A(sub u)-2) are more likely to have low energy absorptions in the regions between 10 kK and 20 kK, similar to naphthalene. These absorptions, together with those to be determined from the hydrogen abstraction and addition derivatives of pyrene, can be used to provide additional candidates and suggest experimental work in the search for interstellar compounds that are responsible for DIB's.

14 CFR 29.727 - Reserve energy absorption drop test.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Reserve energy absorption drop test. 29.727 Section 29.727 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION....727 Reserve energy absorption drop test. The reserve energy absorption drop test must be conducted as...

14 CFR 27.727 - Reserve energy absorption drop test.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Reserve energy absorption drop test. 27.727 Section 27.727 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION... Reserve energy absorption drop test. The reserve energy absorption drop test must be conducted as follows...

14 CFR 27.727 - Reserve energy absorption drop test.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Reserve energy absorption drop test. 27.727 Section 27.727 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION... Reserve energy absorption drop test. The reserve energy absorption drop test must be conducted as follows...

14 CFR 27.727 - Reserve energy absorption drop test.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Reserve energy absorption drop test. 27.727 Section 27.727 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION... Reserve energy absorption drop test. The reserve energy absorption drop test must be conducted as follows...

14 CFR 29.727 - Reserve energy absorption drop test.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Reserve energy absorption drop test. 29.727 Section 29.727 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION....727 Reserve energy absorption drop test. The reserve energy absorption drop test must be conducted as...

14 CFR 27.727 - Reserve energy absorption drop test.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Reserve energy absorption drop test. 27.727 Section 27.727 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION... Reserve energy absorption drop test. The reserve energy absorption drop test must be conducted as follows...

14 CFR 27.727 - Reserve energy absorption drop test.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Reserve energy absorption drop test. 27.727 Section 27.727 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION... Reserve energy absorption drop test. The reserve energy absorption drop test must be conducted as follows...

14 CFR 29.727 - Reserve energy absorption drop test.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Reserve energy absorption drop test. 29.727 Section 29.727 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION....727 Reserve energy absorption drop test. The reserve energy absorption drop test must be conducted as...

14 CFR 29.727 - Reserve energy absorption drop test.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Reserve energy absorption drop test. 29.727 Section 29.727 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION....727 Reserve energy absorption drop test. The reserve energy absorption drop test must be conducted as...

14 CFR 29.727 - Reserve energy absorption drop test.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Reserve energy absorption drop test. 29.727 Section 29.727 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION....727 Reserve energy absorption drop test. The reserve energy absorption drop test must be conducted as...

Sodium, phosphate, glucose, bicarbonate, and alanine interactions in the isolated proximal convoluted tubule of the rabbit kidney.

PubMed Central

Dennis, V W; Brazy, P C

1978-01-01

Interactions among the transport systems involved with sodium, bicarbonate, glucose, phosphate, and alanine absorption in isolated segments of the rabbit proximal convoluted tubule were examined with radioisotopic techniques to measure glucose, phosphate, and fluid absorption rates. The composition of the perfusate and bath varied from normal, physiological fluids to fluids deficient in a single solute. The deletion of glucose from the perfusate increased the lumen-to-bath flux of phosphate from 5.51 +/- 1.15 to 8.32 +/- 1.34 pmol/mm-min (P less than 0.01). Similar changes occurred when glucose transport was inhibited by phlorizin 10 micron in the perfusate, The deletion of alanine from the perfusate increased the lumen-to-bath flux of phosphate from 6.55 +/- 1.08 to 9.00 +/- 1.30 pmol/mm-min (P less than 0.01) but did not affect glucose transport significantly, 80.1 +/- 10.1 vs. 72.5 +/- 5.4 pmol/mm-min. Replacement of intraluminal sodium with choline, elimination of potassium from the bath, and removal of bicarbonate from the lumen and bath each reduced glucose, phosphate, and fluid absorption. These data indicate that the proximal absorptive processes for glucose and for phosphate include elements that are dependent upon some function of sodium transport. Additionally, the effects on phosphate transport of deleting glucose or alanine occur independent of any changes in net sodium transport and are opposite the effects of deleting bicarbonate. These differences may relate to the observations that the transport of glucose and alanine is electrogenic while that of bicarbonate is not. Regardless of possible mechanisms, the data demonstrate that important changes in the absorption rates of different solutes handled significantly by the proximal convoluted tubule may occur in response to changes in specific components of proximal sodium transport. PMID:670399

Role of organic acids in promoting colloidal transport of mercury from mine tailings

USGS Publications Warehouse

Slowey, A.J.; Johnson, S.B.; Rytuba, J.J.; Brown, Gordon E.

2005-01-01

A number of factors affect the transport of dissolved and paniculate mercury (Hg) from inoperative Hg mines, including the presence of organic acids in the rooting zone of vegetated mine waste. We examined the role of the two most common organic acids in soils (oxalic and citric acid) on Hg transport from such waste by pumping a mixed organic acid solution (pH 5.7) at 1 mL/min through Hg mine tailings columns. For the two total organic acid concentrations investigated (20 ??M and 1 mM), particle-associated Hg was mobilized, with the onset of paniculate Hg transport occurring later for the lower organic acid concentration. Chemical analyses of column effluent indicate that 98 wt % of Hg mobilized from the column was paniculate. Hg speciation was determined using extended X-ray absorption fine structure spectroscopy and transmission electron microscopy, showing that HgS minerals are dominant in the mobilized particles. Hg adsorbed to colloids is another likely mode of transport due to the abundance of Fe-(oxyhydr)oxides, Fe-sulfides, alunite, and jarosite in the tailings to which Hg(II) adsorbs. Organic acids produced by plants are likely to enhance the transport of colloid-associated Hg from vegetated Hg mine tailings by dissolving cements to enable colloid release. ?? 2005 American Chemical Society.

In situ synthesis of Bi2S3 sensitized WO3 nanoplate arrays with less interfacial defects and enhanced photoelectrochemical performance

NASA Astrophysics Data System (ADS)

Liu, Canjun; Yang, Yahui; Li, Wenzhang; Li, Jie; Li, Yaomin; Chen, Qiyuan

2016-03-01

In this study, Bi2S3 sensitive layer has been grown on the surface of WO3 nanoplate arrays via an in situ approach. The characterization of samples were carried out using scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD) and ultraviolet-visible absorption spectroscopy (UV-vis). The results show that the Bi2S3 layer is uniformly formed on the surface of WO3 nanoplates and less interfacial defects were observed in the interface between the Bi2S3 and WO3. More importantly, the Bi2S3/WO3 films as photoanodes for photoelectrochemical (PEC) cells display the enhanced PEC performance compared with the Bi2S3/WO3 films prepared by a sequential ionic layer adsorption reaction (SILAR) method. In order to understand the reason for the enhanced PEC properties, the electron transport properties of the photoelectrodes were studied by using the transient photocurrent spectroscopy and intensity modulated photocurrent spectroscopy (IMPS). The Bi2S3/WO3 films prepared via an in situ approach have a greater transient time constant and higher electron transit rate. This is most likely due to less interfacial defects for the Bi2S3/WO3 films prepared via an in situ approach, resulting in a lower resistance and faster carrier transport in the interface between WO3 and Bi2S3.

Fused thiophene and its periphery fluorinated substitution derivatives: a theoretical study for organic semiconductors

NASA Astrophysics Data System (ADS)

Wei, Hui-Ling; Shi, Ya-Rui; Liu, Yu-Fang

2015-06-01

A series of phenyl end-capped derivatives of benzo[d,d‧]thieno[3,2-b4,5- b‧]dithiophene (BTDT) with periphery-fluorinated substitutions (PFS) were systematically investigated by using density functional theory (DFT) combined with the Marcus-Hush electron transfer theory. The substituting effects of PFS were discussed. Compared with the original compounds, (i) the PFS compounds have a relatively higher efficiency of charge transport, lower barriers of electron injection, and larger HOMO-LUMO gaps; (ii) the air-stability and the device performance are enhanced by PFS; and (iii) the HOMO-LUMO transitions in the absorption spectrum of the PFS compounds show an obvious blue-shift trend. The perfluorophenylbisbenzo[d, d‧]thieno[3,2-b4,5-b‧]dithiophene (BpF-BTDT) is found to be the most stable and most effective compound in charge transport among the investigated compounds, and it is suggested as an ambipolar semiconducting material. The results of electronic coupling of the bisbenzo[d, d‧]thieno[3,2-b 4,5- b‧]dithiophene (BBTDT) derivatives show that the orbital interaction is mainly contributed by the neighboring molecule in the two dimensional (2D) layer. The PFS compounds have lower oxidization potential, ionization potential, and electron affinity values than the corresponding original ones, which suggest that fluorination can enhance the performance of the thiophene-based organic solar cells. These findings provide a better understanding of the PFS effects on organic semiconductors and may help to design high-performance semiconductor materials.

Structural, optoelectronic and charge transport properties of the complexes of indigo encapsulated in carbon nanotubes.

PubMed

Joshi, Ankita; Ramachandran, C N

2018-05-23

Using the dispersion-corrected density functional B97D and 6-31g(d,p) basis set, the structural, stability, electronic, optical and charge transport properties of the complexes formed by encapsulating indigo inside carbon nanotubes (CNTs) of varying diameters are investigated. Based on the stabilization energy of the complexes indigo@(n,n)CNT (where n = 6, 7 and 8), indigo@(7,7)CNT is shown to be the most stable owing to the ideal diameter of (7,7)CNT for encapsulating indigo. The nature of the interaction between the guest and the host is investigated by means of energy decomposition analysis employing the symmetry adapted perturbation theory. Electronic properties such as the ionization energy, the electron affinity and the energy gap between the highest occupied and lowest unoccupied molecular orbitals (ΔEH-L) of the complexes are determined. The low values of ΔEH-L (<1 eV) for the complexes suggest that they can act as narrow energy gap semiconductors. All the complexes exhibit high hole and electron mobilities which vary inversely with respect to the diameter of the CNT. Using the time-dependent density functional theoretical method, the absorption properties are predicted for the most stable complex indigo@(7,7)CNT. The presence of charge transfer peaks in the visible and near-infrared regions of the electromagnetic spectrum suggests that the complexes are suitable for optoelectronic devices such as solar cells.

Potential benefits of triethylamine as n-electron donor in the estimation of forskolin by electronic absorption and emission spectroscopy

NASA Astrophysics Data System (ADS)

Raju, Gajula; Ram Reddy, A.

2016-02-01

Diterpenoid forskolin was isolated from Coleus forskolii. The electronic absorption and emission studies of forskolin were investigated in various solvents with an aim to improve its detection limits. The two chromophores present in the diterpenoid are not conjugated leading to the poor absorption and emission of UV light. The absorption and fluorescence spectra were solvent specific. In the presence of a monodentate ligand, triethylamine the detection of forskolin is improved by 3.63 times in ethanol with the fluorescence method and 3.36 times in DMSO by the absorption spectral method. The longer wavelength absorption maximum is blue shifted while the lower energy fluorescence maximum is red shifted in the presence of triethylamine. From the wavelength of fluorescence maxima of the exciplex formed between excited forskolin and triethylamine it is concluded that the order of reactivity of hydroxyl groups in the excited state forskolin is in the reverse order to that of the order of the reactivity of hydroxyl groups in its ground state.

Influence of the aggregate state on band structure and optical properties of C60 computed with different methods

NASA Astrophysics Data System (ADS)

Pal, Amrita; Arabnejad, Saeid; Yamashita, Koichi; Manzhos, Sergei

2018-05-01

C60 and C60 based molecules are efficient acceptors and electron transport layers for planar perovskite solar cells. While properties of these molecules are well studied by ab initio methods, those of solid C60, specifically its optical absorption properties, are not. We present a combined density functional theory-Density Functional Tight Binding (DFTB) study of the effect of solid state packing on the band structure and optical absorption of C60. The valence and conduction band edge energies of solid C60 differ on the order of 0.1 eV from single molecule frontier orbital energies. We show that calculations of optical properties using linear response time dependent-DFT(B) or the imaginary part of the dielectric constant (dipole approximation) can result in unrealistically large redshifts in the presence of intermolecular interactions compared to available experimental data. We show that optical spectra computed from the frequency-dependent real polarizability can better reproduce the effect of C60 aggregation on optical absorption, specifically with a generalized gradient approximation functional, and may be more suited to study effects of molecular aggregation.

Analysis of the Brunel model and resulting hot electron spectra

NASA Astrophysics Data System (ADS)

Mulser, P.; Weng, S. M.; Liseykina, Tatyana

2012-04-01

Among the various attempts to model collisionless absorption of intense and superintense ultrashort laser pulses, the so-called Brunel mechanism plays an eminent role. A detailed analysis reveals essential aspects of collisionless absorption: Splitting of the electron energy spectrum into two groups under p-polarization, prompt generation of fast electrons during one laser cycle or a fraction of it, insensitivity of absorption with respect to target density well above nc, robustness, simplicity, and logical coherence. Such positive aspects contrast with a non-Maxwellian tail of the hot electrons, too low energy cut off, excessively high fraction of fast electrons, and inefficient absorption at moderate angles of single beam incidence and intensities. Brunel's pioneering idea has been the recognition of the role of the space charges induced by the electron motion perpendicular to the target surface that make irreversibility possible. By setting the electrostatic fields inside the overdense target equal to zero, anharmonic resonance and mixing of layers leading to Maxwellianization are excluded. To what extent the real electron spectra and their scaling on laser intensity are the product of the interplay between Brunel's mechanism and anharmonic resonance is still an open question.

Boosting Photocatalytic Hydrogen Production of a Metal-Organic Framework Decorated with Platinum Nanoparticles: The Platinum Location Matters.

PubMed

Xiao, Juan-Ding; Shang, Qichao; Xiong, Yujie; Zhang, Qun; Luo, Yi; Yu, Shu-Hong; Jiang, Hai-Long

2016-08-01

Improving the efficiency of electron-hole separation and charge-carrier utilization plays a central role in photocatalysis. Herein, Pt nanoparticles of ca. 3 nm are incorporated inside or supported on a representative metal-organic framework (MOF), UiO-66-NH2 , denoted as Pt@UiO-66-NH2 and Pt/UiO-66-NH2 , respectively, for photocatalytic hydrogen production via water splitting. Compared with the pristine MOF, both Pt-decorated MOF nanocomposites exhibit significantly improved yet distinctly different hydrogen-production activities, highlighting that the photocatalytic efficiency strongly correlates with the Pt location relative to the MOF. The Pt@UiO-66-NH2 greatly shortens the electron-transport distance, which favors the electron-hole separation and thereby yields much higher efficiency than Pt/UiO-66-NH2 . The involved mechanism has been further unveiled by means of ultrafast transient absorption and photoluminescence spectroscopy. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electronic and optoelectronic device applications based on ReS2

NASA Astrophysics Data System (ADS)

Liu, Erfu; Long, Mingsheng; Wang, Yaojia; Pan, Yiming; Ho, Chinghwa; Wang, Baigeng; Miao, Feng

Rhenium disulfide (ReS2) is a unique semiconducting TMD with distorted 1T structure and weak interlayer coupling. We have previously investigated its in-plane anisotropic property and electronic applications on FET and digital inverters. In this talk, we will present high responsivity phototransistors based on few-layer ReS2. Depending on the back gate voltage, source drain bias and incident optical light intensity, the maximum attainable photoresponsivity can reach as high as 88,600 A W-1, which is one of the highest value among individual two-dimensional materials with similar device structures. Such high photoresponsivity is attributed to the increased light absorption as well as the gain enhancement due to the existence of trap states in the few-layer ReS2 flakes. The existence of trap states is proved by temperature dependent transport measurements. It further enables the detection of weak signals. Our studies underscore ReS2 as a promising material for future electronic and sensitive optoelectronic applications.

An Electronic Structure Approach to Charge Transfer and Transport in Molecular Building Blocks for Organic Optoelectronics

NASA Astrophysics Data System (ADS)

Hendrickson, Heidi Phillips

A fundamental understanding of charge separation in organic materials is necessary for the rational design of optoelectronic devices suited for renewable energy applications and requires a combination of theoretical, computational, and experimental methods. Density functional theory (DFT) and time-dependent (TD)DFT are cost effective ab-initio approaches for calculating fundamental properties of large molecular systems, however conventional DFT methods have been known to fail in accurately characterizing frontier orbital gaps and charge transfer states in molecular systems. In this dissertation, these shortcomings are addressed by implementing an optimally-tuned range-separated hybrid (OT-RSH) functional approach within DFT and TDDFT. The first part of this thesis presents the way in which RSH-DFT addresses the shortcomings in conventional DFT. Environmentally-corrected RSH-DFT frontier orbital energies are shown to correspond to thin film measurements for a set of organic semiconducting molecules. Likewise, the improved RSH-TDDFT description of charge transfer excitations is benchmarked using a model ethene dimer and silsesquioxane molecules. In the second part of this thesis, RSH-DFT is applied to chromophore-functionalized silsesquioxanes, which are currently investigated as candidates for building blocks in optoelectronic applications. RSH-DFT provides insight into the nature of absorptive and emissive states in silsesquioxanes. While absorption primarily involves transitions localized on one chromophore, charge transfer between chromophores and between chromophore and silsesquioxane cage have been identified. The RSH-DFT approach, including a protocol accounting for complex environmental effects on charge transfer energies, was tested and validated against experimental measurements. The third part of this thesis addresses quantum transport through nano-scale junctions. The ability to quantify a molecular junction via spectroscopic methods is crucial to their technological design and development. Time dependent perturbation theory, employed by non-equilibrium Green's function formalism, is utilized to study the effect of quantum coherences on electron transport and the effect of symmetry breaking on the electronic spectra of model molecular junctions. The fourth part of this thesis presents the design of a physical chemistry course based on a pedagogical approach called Writing-to-Teach. The nature of inaccuracies expressed in student-generated explanations of quantum chemistry topics, and the ability of a peer review process to engage these inaccuracies, is explored within this context.

Synthesis of poly(benzothiadiazole-co-dithienobenzodithiophenes) and effect of thiophene insertion for high-performance polymer solar cells.

PubMed

Yun, Hui-Jun; Lee, Yun-Ji; Yoo, Seung-Jin; Chung, Dae Sung; Kim, Yun-Hi; Kwon, Soon-Ki

2013-09-23

We describe herein the synthesis of novel donor-acceptor conjugated polymers with dithienobenzodithiophenes (DTBDT) as the electron donor and 2,1,3-benzothiadiazole as the electron acceptor for high-performance organic photovoltaics (OPVs). We studied the effects of strategically inserting thiophene into the DTBDT as a substituent on the skeletal structure on the opto-electronic performances of fabricated devices. From UV/Vis absorption, electrochemical, and field-effect transistor analyses, we found that the thiophene-containing DTBDT derivative can substantially increase the orbital overlap area between adjacent conjugated chains and thus dramatically enhance charge-carrier mobility up to 0.55 cm(2)  V(-1)  s(-1). The outstanding charge-transport characteristics of this polymer allowed the realization of high-performance organic solar cells with a power conversion efficiency (PCE) of 5.1 %. Detailed studies on the morphological factors that enable the maximum PCE of the polymer solar cells are discussed along with a hole/electron mobility analysis based on the space-charge-limited current model. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Anhydrous crystals of DNA bases are wide gap semiconductors.

PubMed

Maia, F F; Freire, V N; Caetano, E W S; Azevedo, D L; Sales, F A M; Albuquerque, E L

2011-05-07

We present the structural, electronic, and optical properties of anhydrous crystals of DNA nucleobases (guanine, adenine, cytosine, and thymine) found after DFT (Density Functional Theory) calculations within the local density approximation, as well as experimental measurements of optical absorption for powders of these crystals. Guanine and cytosine (adenine and thymine) anhydrous crystals are predicted from the DFT simulations to be direct (indirect) band gap semiconductors, with values 2.68 eV and 3.30 eV (2.83 eV and 3.22 eV), respectively, while the experimentally estimated band gaps we have measured are 3.83 eV and 3.84 eV (3.89 eV and 4.07 eV), in the same order. The electronic effective masses we have obtained at band extremes show that, at low temperatures, these crystals behave like wide gap semiconductors for electrons moving along the nucleobases stacking direction, while the hole transport are somewhat limited. Lastly, the calculated electronic dielectric functions of DNA nucleobases crystals in the parallel and perpendicular directions to the stacking planes exhibit a high degree of anisotropy (except cytosine), in agreement with published experimental results.

Ammonia Movement in the Small Intestine: Preferential Transport by the Ileum *

PubMed Central

Mossberg, Sanford M.; Ross, George

1967-01-01

Isolated, surviving sacs of everted small intestine were used to characterize ammonia transport in the golden hamster. Jejunal and ileal sacs incubated aerobically in ammonia-free test solution liberated the same quantity of ammonia as did sacs that were filled and immediately emptied of their contents, indicating no significant evolution of metabolic ammonia. Under aerobic conditions, ileal sacs transferred a solution of high ammonia content from the mucosal surface to the serosal surface against a concentration gradient. This transport was not glucose dependent and exhibited first-order Michaelis-Menten kinetics. Inhibition of absorption occurred with anaerobiosis, 2,4-dinitrophenol, and sodium cyanide. In jejunal segments ammonia was not transported against an adverse chemical gradient. Ileal ammonia absorption was accompanied by bicarbonate secretion and acidification of the serosal solution. Both bicarbonate movement and pH gradients were abolished by inhibitors of ammonia transport. In the jejunum, the absence of ammonia movement occurred in association with minimal bicarbonate secretion and no appreciable change in serosal pH. Despite the creation of hydrogen ion gradients tending to augment or to retard ammonia absorption by nonionic diffusion, ammonia movement was unaffected, i.e., relative acidification of serosal contents did not augment ammonia absorption, and relative alkalinization of serosal fluid caused no inhibition of ammonia transport. In the absence of bicarbonate ion, ammonia transport did not occur. The significance of these findings is discussed with consideration of both ionic and nonionic mechanisms of ammonia movement. It is suggested that ammonia is absorbed in the ileum by active ionic transport. PMID:6021202

Cotransporting Ion is a Trigger for Cellular Endocytosis of Transporter-Targeting Nanoparticles: A Case Study of High-Efficiency SLC22A5 (OCTN2)-Mediated Carnitine-Conjugated Nanoparticles for Oral Delivery of Therapeutic Drugs.

PubMed

Kou, Longfa; Yao, Qing; Sun, Mengchi; Wu, Chunnuan; Wang, Jia; Luo, Qiuhua; Wang, Gang; Du, Yuqian; Fu, Qiang; Wang, Jian; He, Zhonggui; Ganapathy, Vadivel; Sun, Jin

2017-09-01

OCTN2 (SLC22A5) is a Na + -coupled absorption transporter for l-carnitine in small intestine. This study tests the potential of this transporter for oral delivery of therapeutic drugs encapsulated in l-carnitine-conjugated poly(lactic-co-glycolic acid) (PLGA) nanoparticles (LC-PLGA NPs) and discloses the molecular mechanism for cellular endocytosis of transporter-targeting nanoparticles. Conjugation of l-carnitine to a surface of PLGA-NPs enhances the cellular uptake and intestinal absorption of encapsulated drug. In both cases, the uptake process is dependent on cotransporting ion Na + . Computational OCTN2 docking analysis shows that the presence of Na + is important for the formation of the energetically stable intermediate complex of transporter-Na + -LC-PLGA NPs, which is also the first step in cellular endocytosis of nanoparticles. The transporter-mediated intestinal absorption of LC-PLGA NPs occurs via endocytosis/transcytosis rather than via the traditional transmembrane transport. The portal blood versus the lymphatic route is evaluated by the plasma appearance of the drug in the control and lymph duct-ligated rats. Absorption via the lymphatic system is the predominant route in the oral delivery of the NPs. In summary, LC-PLGA NPs can effectively target OCTN2 on the enterocytes for enhancing oral delivery of drugs and the critical role of cotransporting ions should be noticed in designing transporter-targeting nanoparticles. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Analytical modeling of light transport in scattering materials with strong absorption.

PubMed

Meretska, M L; Uppu, R; Vissenberg, G; Lagendijk, A; Ijzerman, W L; Vos, W L

2017-10-02

We have investigated the transport of light through slabs that both scatter and strongly absorb, a situation that occurs in diverse application fields ranging from biomedical optics, powder technology, to solid-state lighting. In particular, we study the transport of light in the visible wavelength range between 420 and 700 nm through silicone plates filled with YAG:Ce 3+ phosphor particles, that even re-emit absorbed light at different wavelengths. We measure the total transmission, the total reflection, and the ballistic transmission of light through these plates. We obtain average single particle properties namely the scattering cross-section σ s , the absorption cross-section σ a , and the anisotropy factor µ using an analytical approach, namely the P3 approximation to the radiative transfer equation. We verify the extracted transport parameters using Monte-Carlo simulations of the light transport. Our approach fully describes the light propagation in phosphor diffuser plates that are used in white LEDs and that reveal a strong absorption (L/l a > 1) up to L/l a = 4, where L is the slab thickness, l a is the absorption mean free path. In contrast, the widely used diffusion theory fails to describe this parameter range. Our approach is a suitable analytical tool for industry, since it provides a fast yet accurate determination of key transport parameters, and since it introduces predictive power into the design process of white light emitting diodes.

Microscopic Perspective on Photovoltaic Reciprocity in Ultrathin Solar Cells

NASA Astrophysics Data System (ADS)

Aeberhard, Urs; Rau, Uwe

2017-06-01

The photovoltaic reciprocity theory relates the electroluminescence spectrum of a solar cell under applied bias to the external photovoltaic quantum efficiency of the device as measured at short circuit conditions. Its derivation is based on detailed balance relations between local absorption and emission rates in optically isotropic media with nondegenerate quasiequilibrium carrier distributions. In many cases, the dependence of density and spatial variation of electronic and optical device states on the point of operation is modest and the reciprocity relation holds. In nanostructure-based photovoltaic devices exploiting confined modes, however, the underlying assumptions are no longer justifiable. In the case of ultrathin absorber solar cells, the modification of the electronic structure with applied bias is significant due to the large variation of the built-in field. Straightforward use of the external quantum efficiency as measured at short circuit conditions in the photovoltaic reciprocity theory thus fails to reproduce the electroluminescence spectrum at large forward bias voltage. This failure is demonstrated here by numerical simulation of both spectral quantities at normal incidence and emission for an ultrathin GaAs p -i -n solar cell using an advanced quantum kinetic formalism based on nonequilibrium Green's functions of coupled photons and charge carriers. While coinciding with the semiclassical relations under the conditions of their validity, the theory provides a consistent microscopic relationship between absorption, emission, and charge carrier transport in photovoltaic devices at arbitrary operating conditions and for any shape of optical and electronic density of states.

Microscopic Perspective on Photovoltaic Reciprocity in Ultrathin Solar Cells.

PubMed

Aeberhard, Urs; Rau, Uwe

2017-06-16

The photovoltaic reciprocity theory relates the electroluminescence spectrum of a solar cell under applied bias to the external photovoltaic quantum efficiency of the device as measured at short circuit conditions. Its derivation is based on detailed balance relations between local absorption and emission rates in optically isotropic media with nondegenerate quasiequilibrium carrier distributions. In many cases, the dependence of density and spatial variation of electronic and optical device states on the point of operation is modest and the reciprocity relation holds. In nanostructure-based photovoltaic devices exploiting confined modes, however, the underlying assumptions are no longer justifiable. In the case of ultrathin absorber solar cells, the modification of the electronic structure with applied bias is significant due to the large variation of the built-in field. Straightforward use of the external quantum efficiency as measured at short circuit conditions in the photovoltaic reciprocity theory thus fails to reproduce the electroluminescence spectrum at large forward bias voltage. This failure is demonstrated here by numerical simulation of both spectral quantities at normal incidence and emission for an ultrathin GaAs p-i-n solar cell using an advanced quantum kinetic formalism based on nonequilibrium Green's functions of coupled photons and charge carriers. While coinciding with the semiclassical relations under the conditions of their validity, the theory provides a consistent microscopic relationship between absorption, emission, and charge carrier transport in photovoltaic devices at arbitrary operating conditions and for any shape of optical and electronic density of states.

Ultrafast Interlayer Electron Transfer in Incommensurate Transition Metal Dichalcogenide Homobilayers.

PubMed

Li, Yuanyuan; Cui, Qiannan; Ceballos, Frank; Lane, Samuel D; Qi, Zeming; Zhao, Hui

2017-11-08

Two-dimensional materials, such as graphene, transition metal dichalcogenides, and phosphorene, can be used to construct van der Waals multilayer structures. This approach has shown potentials to produce new materials that combine novel properties of the participating individual layers. One key requirement for effectively harnessing emergent properties of these materials is electronic connection of the involved atomic layers through efficient interlayer charge or energy transfer. Recently, ultrafast charge transfer on a time scale shorter than 100 fs has been observed in several van der Waals bilayer heterostructures formed by two different materials. However, information on the transfer between two atomic layers of the same type is rare. Because these homobilayers are essential elements in constructing multilayer structures with desired optoelectronic properties, efficient interlayer transfer is highly desired. Here we show that electron transfer between two monolayers of MoSe 2 occurs on a picosecond time scale. Even faster transfer was observed in homobilayers of WS 2 and WSe 2 . The samples were fabricated by manually stacking two exfoliated monolayer flakes. By adding a graphene layer as a fast carrier recombination channel for one of the two monolayers, the transfer of the photoexcited carriers from the populated to the drained monolayers was time-resolved by femtosecond transient absorption measurements. The observed efficient interlayer carrier transfer indicates that such homobilayers can be used in van der Waals multilayers to enhance their optical absorption without significantly compromising the interlayer transport performance. Our results also provide valuable information for understanding interlayer charge transfer in heterostructures.

Laser refrigeration of hydrothermal nanocrystals in physiological media.

PubMed

Roder, Paden B; Smith, Bennett E; Zhou, Xuezhe; Crane, Matthew J; Pauzauskie, Peter J

2015-12-08

Coherent laser radiation has enabled many scientific and technological breakthroughs including Bose-Einstein condensates, ultrafast spectroscopy, superresolution optical microscopy, photothermal therapy, and long-distance telecommunications. However, it has remained a challenge to refrigerate liquid media (including physiological buffers) during laser illumination due to significant background solvent absorption and the rapid (∼ ps) nonradiative vibrational relaxation of molecular electronic excited states. Here we demonstrate that single-beam laser trapping can be used to induce and quantify the local refrigeration of physiological media by >10 °C following the emission of photoluminescence from upconverting yttrium lithium fluoride (YLF) nanocrystals. A simple, low-cost hydrothermal approach is used to synthesize polycrystalline particles with sizes ranging from <200 nm to >1 μm. A tunable, near-infrared continuous-wave laser is used to optically trap individual YLF crystals with an irradiance on the order of 1 MW/cm(2). Heat is transported out of the crystal lattice (across the solid-liquid interface) by anti-Stokes (blue-shifted) photons following upconversion of Yb(3+) electronic excited states mediated by the absorption of optical phonons. Temperatures are quantified through analysis of the cold Brownian dynamics of individual nanocrystals in an inhomogeneous temperature field via forward light scattering in the back focal plane. The cold Brownian motion (CBM) analysis of individual YLF crystals indicates local cooling by >21 °C below ambient conditions in D2O, suggesting a range of potential future applications including single-molecule biophysics and integrated photonic, electronic, and microfluidic devices.

Laser refrigeration of hydrothermal nanocrystals in physiological media

PubMed Central

Roder, Paden B.; Smith, Bennett E.; Zhou, Xuezhe; Crane, Matthew J.; Pauzauskie, Peter J.

2015-01-01

Coherent laser radiation has enabled many scientific and technological breakthroughs including Bose–Einstein condensates, ultrafast spectroscopy, superresolution optical microscopy, photothermal therapy, and long-distance telecommunications. However, it has remained a challenge to refrigerate liquid media (including physiological buffers) during laser illumination due to significant background solvent absorption and the rapid (∼ps) nonradiative vibrational relaxation of molecular electronic excited states. Here we demonstrate that single-beam laser trapping can be used to induce and quantify the local refrigeration of physiological media by >10 °C following the emission of photoluminescence from upconverting yttrium lithium fluoride (YLF) nanocrystals. A simple, low-cost hydrothermal approach is used to synthesize polycrystalline particles with sizes ranging from <200 nm to >1 μm. A tunable, near-infrared continuous-wave laser is used to optically trap individual YLF crystals with an irradiance on the order of 1 MW/cm2. Heat is transported out of the crystal lattice (across the solid–liquid interface) by anti-Stokes (blue-shifted) photons following upconversion of Yb3+ electronic excited states mediated by the absorption of optical phonons. Temperatures are quantified through analysis of the cold Brownian dynamics of individual nanocrystals in an inhomogeneous temperature field via forward light scattering in the back focal plane. The cold Brownian motion (CBM) analysis of individual YLF crystals indicates local cooling by >21 °C below ambient conditions in D2O, suggesting a range of potential future applications including single-molecule biophysics and integrated photonic, electronic, and microfluidic devices. PMID:26589813

Electron localization and optical absorption of polygonal quantum rings

NASA Astrophysics Data System (ADS)

Sitek, Anna; Serra, Llorenç; Gudmundsson, Vidar; Manolescu, Andrei

2015-06-01

We investigate theoretically polygonal quantum rings and focus mostly on the triangular geometry where the corner effects are maximal. Such rings can be seen as short core-shell nanowires, a generation of semiconductor heterostructures with multiple applications. We show how the geometry of the sample determines the electronic energy spectrum, and also the localization of electrons, with effects on the optical absorption. In particular, we show that irrespective of the ring shape low-energy electrons are always attracted by corners and are localized in their vicinity. The absorption spectrum in the presence of a magnetic field shows only two peaks within the corner-localized state domain, each associated with different circular polarization. This picture may be changed by an external electric field which allows previously forbidden transitions, and thus enables the number of corners to be determined. We show that polygonal quantum rings allow absorption of waves from distant ranges of the electromagnetic spectrum within one sample.

Highly luminescent material based on Alq3:Ag nanoparticles.

PubMed

Salah, Numan; Habib, Sami S; Khan, Zishan H

2013-09-01

Tris (8-hydroxyquinoline) aluminum (Alq3) is an organic semiconductor molecule, widely used as an electron transport layer, light emitting layer in organic light-emitting diodes and a host for fluorescent and phosphorescent dyes. In this work thin films of pure and silver (Ag), cupper (Cu), terbium (Tb) doped Alq3 nanoparticles were synthesized using the physical vapor condensation method. They were fabricated on glass substrates and characterized by X-ray diffraction, scanning electron microscope (SEM), energy dispersive spectroscopy, atomic force microscope (AFM), UV-visible absorption spectra and studied for their photoluminescence (PL) properties. SEM and AFM results show spherical nanoparticles with size around 70-80 nm. These nanoparticles have almost equal sizes and a homogeneous size distribution. The maximum absorption of Alq3 nanoparticles is observed at 300 nm, while the surface plasmon resonant band of Ag doped sample appears at 450 nm. The PL emission spectra of Tb, Cu and Ag doped Alq3 nanoparticles show a single broad band at around 515 nm, which is similar to that of the pure one, but with enhanced PL intensity. The sample doped with Ag at a concentration ratio of Alq3:Ag = 1:0.8 is found to have the highest PL intensity, which is around 2 times stronger than that of the pure one. This enhancement could be attributed to the surface plasmon resonance of Ag ions that might have increased the absorption and then the quantum yield. These remarkable result suggest that Alq3 nanoparticles incorporated with Ag ions might be quite useful for future nano-optoelectronic devices.

The regulation of TiO2 nanoparticles on the expression of light-harvesting complex II and photosynthesis of chloroplasts of Arabidopsis thaliana.

PubMed

Ze, Yuguan; Liu, Chao; Wang, Ling; Hong, Mengmeng; Hong, Fashui

2011-11-01

Recent studies demonstrated that titanium dioxide nanoparticles (TiO2 NPs) could significantly promote photosynthesis and plant growth, but its mechanism is still unclear. In this article, we studied the mechanism of light absorption and transfer of chloroplasts of Arabidopsis thaliana caused by TiO2 NPs treated. The results showed that TiO2 NPs could induce significant increases of light-harvesting complex II (LHCII) b gene expression and LHCII II content on the thylakoid membrane in A. thaliana, and the increases in LHCII were higher than the non-nano TiO2 (bulk-TiO2) treatment. Meanwhile, spectroscopy assays indicated that TiO2 NPs obviously increased the absorption peak intensity of the chloroplast in red and blue region, the fluorescence quantum yield near 680 nm, the excitation peak intensity near 440 and 480 nm and/or near 650 and 680 nm of the chloroplast. TiO2 NPs treatment could reduce F480/F440 ratio and increase F650/F680 ratio and accelerate the rate of whole chain electron transport and oxygen evolution of the chloroplast. However, the photosynthesis improvement of the non-nanoTiO2 treatment was far less effective than TiO2 NPs treatment. Taken together, TiO2 NPs could promote the light absorption of chloroplast, regulate the distribution of light energy from PS I to PS II by increasing LHCII and accelerate the transformation from light energy to electronic energy, water photolysis, and oxygen evolution.

Molecular mechanisms of the naringin low uptake by intestinal Caco-2 cells.

PubMed

Tourniaire, Franck; Hassan, Meryl; André, Marc; Ghiringhelli, Odette; Alquier, Christian; Amiot, Marie-Josèphe

2005-10-01

Naringin, the main flavanone of grapefruit, was reported to display numerous biological effects: antioxidant, hypocholesteremic, anti-atherogenic and favoring drug absorption. Naringin absorption mechanisms were studied in Caco-2 cells (TC7 clone). We investigated the possible involvement of several membrane transporters implicated in polyphenolic compounds intestinal transport (sodium-dependent glucose transporter 1, monocarboxylate transporter, multidrug-associated resistance proteins 1 and 2, and P-glycoprotein). Naringin was poorly absorbed by Caco-2 cells, according to its low value of apparent permeability coefficient (P(app) = 8.1 +/- 0.9 x 10(-8) cm/s). In the presence of verapamil, a specific inhibitor of P-glycoprotein, cellular uptake was increased by almost threefold after 5 min, and P(app) was doubled after 30 min. Our results indicated the involvement of P-glycoprotein, an ATP-driven efflux pump, capable of transporting naringin from the Caco-2 cell to the apical side. This phenomenon could explain, at least in part, the low absorption of this flavanone at the upper intestinal level.

First-principles electron dynamics control simulation of diamond under femtosecond laser pulse train irradiation.

PubMed

Wang, Cong; Jiang, Lan; Wang, Feng; Li, Xin; Yuan, Yanping; Xiao, Hai; Tsai, Hai-Lung; Lu, Yongfeng

2012-07-11

A real-time and real-space time-dependent density functional is applied to simulate the nonlinear electron-photon interactions during shaped femtosecond laser pulse train ablation of diamond. Effects of the key pulse train parameters such as the pulse separation, spatial/temporal pulse energy distribution and pulse number per train on the electron excitation and energy absorption are discussed. The calculations show that photon-electron interactions and transient localized electron dynamics can be controlled including photon absorption, electron excitation, electron density, and free electron distribution by the ultrafast laser pulse train.

Studies of Luminescence Performance on Carbazole Donor and Quinoline Acceptor Based Conjugated Polymer.

PubMed

Upadhyay, Anjali; S, Karpagam

2016-03-01

We report on the synthesis of conjugated polymer (CV-QP) containing carbazole (donor) and quinoline (acceptor) using Wittig methodology. The structural, optical and thermal properties of the polymer were investigated by FT-IR, NMR, GPC, UV, PL, cyclic voltammetry, atomic force microscopy (AFM) and thermogravimetric analysis (TGA). The polymer exhibits thermal stability upto 200 °C and shows good solubility in common organic solvents. The polymer has optical absorption band in a thin film at 360 nm and emission band formed at 473 nm. The optical energy band gap was found to be 2.69 eV as calculated from the onset absorption edge. Fluorescence quenching of the polymer CV-QP was found by using DMA (electron donor) and DMTP (electron acceptor). AFM image indicated that triangular shaped particles were observed and the particle size was found as 1.1 μm. The electrochemical studies of CV-QP reveal that, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels of the CV-QP are 6.35 and 3.70 eV, which indicated that the polymers are expected to provide charge transporting properties for the development of polymer light-emitting diodes (PLEDs).

Absorption and Effect of Azaspiracid-1 Over the Human Intestinal Barrier.

PubMed

Abal, Paula; Louzao, M Carmen; Fraga, María; Vilariño, Natalia; Ferreiro, Sara; Vieytes, Mercedes R; Botana, Luis M

2017-01-01

Azaspiracids (AZAs) are marine biotoxins produced by the dinoflagellates genera Azadinium and Amphidoma. These toxins cause azaspiracid poisoning (AZP), characterized by severe gastrointestinal illness in humans after the consumption of bivalve molluscs contaminated with AZAs. The main aim of the present study was to examine the consequences of human exposure to AZA1 by the study of absorption and effects of the toxin on Caco-2 cells, a reliable model of the human intestine. The ability of AZA1 to cross the human intestinal epithelium has been evaluated by the Caco-2 transepithelial permeability assay. The toxin has been detected and quantified using a microsphere-based immunoassay. Cell alterations and ultrastructural effects has been observed with confocal and transmission electron microscopy Results: AZA1 was absorbed by Caco-2 cells in a dose-dependent way without affecting cell viability. However, modifications on occludin distribution detected by confocal microscopy imaging indicated a possible monolayer integrity disruption. Nevertheless, transmission electron microscopy imaging revealed ultrastructural damages at the nucleus and mitochondria with autophagosomes in the cytoplasm, however, tight junctions and microvilli remained unaffected. After the ingestion of molluscs with the AZA1, the toxin will be transported through the human intestinal barrier to blood causing damage on epithelial cells. © 2017 The Author(s). Published by S. Karger AG, Basel.

[Study on transport mechanism of baicalin in Scutellariae radix extracts and effect of Angelica dahurica extracts on transport of baicalin by Caco-2 cell monolayer model].

PubMed

Liang, Xin-Li; Zhu, Meng-Liang; Zhao, Li-Jun; Zhao, Guo-Wei; Liao, Zheng-Gen; Cao, Yun-Chao; Yang, Ming

2013-07-01

To study the transport mechanism of baicalin of Scutellariae Radix extracts and the effect of Angelica dahurica extracts on the intestinal absorption of baicalin by using Caco-2 cell monolayer model, in order to analyze the effect mechanism of Angelica dahurica extracts on the intestinal absorption of baicalin. The Caco-2 cell monolayer model was established with human colonic adenocarcinoma cells, and used to study the effect of pH, time, drug concentration and temperature on the transport of baicalin in Scutellariae Radix extracts, the effect of P-gp and MRP protein-dedicated inhibitors on the bidirectional transport of baicalin in Caco-2 cell model, and the effect of angelica root extracts on baicalin absorption and transport. Baicalin was absorbed well at 37 degrees C and under pH 7.4 condition and concentration dependent. Its proteins became inactive at 4 degrees C, with a low transport. The bi-drectional transfer PDR was 0. 54. After P-gp inhibitor verapamil and MRP inhibitor probenecid were added, the value of PappBL-AP of baicalin decreased, but without any difference in PDR. The transport of baicalin was improved by 2.34, 3.31 and 3.13 times, after A. dahurica extract coumarin, volatile oil, and mixture of coumarin and volatile oil. The transport mechanism of baicalin is mainly passive transfer and supplemented with efflux proteins involved. A. dahurica extracts can enhance the absorption of baicalin, which may be related to the passive transfer merchanism of baicalin. A. dahurica extracts' effect in opening the close junction among cells may be related to its expression or function in inhibiting efflux proteins.

Substituent and Solvent Effects on the Absorption Spectra of Cation-π Complexes of Benzene and Borazine: A Theoretical Study.

PubMed

Sarmah, Nabajit; Bhattacharyya, Pradip Kr; Bania, Kusum K

2014-05-29

Time-dependent density functional theory (TDDFT) has been used to predict the absorption spectra of cation-π complexes of benzene and borazine. Both polarized continuum model (PCM) and discrete solvation model (DSM) and a combined effect of PCM and DSM on the absorption spectra have been elucidated. With decrease in size of the cation, the π → π* transitions of benzene and borazine are found to undergo blue and red shift, respectively. A number of different substituents (both electron-withdrawing and electron-donating) and a range of solvents (nonpolar to polar) have been considered to understand the effect of substituent and solvents on the absorption spectra of the cation-π complexes of benzene and borazine. Red shift in the absorption spectra of benzene cation-π complexes are observed with both electron-donating groups (EDGs) and electron-withdrawing groups (EWGs). The same trend has not been observed in the case of substituted borazine cation-π complexes. The wavelength of the electronic transitions corresponding to cation-π complexes correlates well with the Hammet constants (σ p and σ m ). This correlation indicates that the shifting of spectral lines of the cation-π complexes on substitution is due to both resonance and inductive effect. On incorporation of solvent phases, significant red or blue shifting in the absorption spectra of the complexes has been observed. Kamlet-Taft multiparametric equation has been used to explain the effect of solvent on the absorption spectra of complexes. Polarity and polarizability are observed to play an important role in the solvatochromism of the cation-π complexes.

Two-photon or higher-order absorbing optical materials and methods of use

NASA Technical Reports Server (NTRS)

Marder, Seth (Inventor); Perry, Joseph (Inventor)

2012-01-01

Compositions capable of simultaneous two-photon absorption and higher order absorptivities are provided. Compounds having a donor-pi-donor or acceptor-pi-acceptor structure are of particular interest, where the donor is an electron donating group, acceptor is an electron accepting group, and pi is a pi bridge linking the donor and/or acceptor groups. The pi bridge may additionally be substituted with electron donating or withdrawing groups to alter the absorptive wavelength of the structure. Also disclosed are methods of generating an excited state of such compounds through optical stimulation with light using simultaneous absorption of photons of energies individually insufficient to achieve an excited state of the compound, but capable of doing so upon simultaneous absorption of two or more such photons. Applications employing such methods are also provided, including controlled polymerization achieved through focusing of the light source(s) used.

Bandgap Inhomogeneity of a PbSe Quantum Dot Ensemble from Two-Dimensional Spectroscopy and Comparison to Size Inhomogeneity from Electron Microscopy

DOE PAGES

Park, Samuel D.; Baranov, Dmitry; Ryu, Jisu; ...

2017-01-03

Femtosecond two-dimensional Fourier transform spectroscopy is used to determine the static bandgap inhomogeneity of a colloidal quantum dot ensemble. The excited states of quantum dots absorb light, so their absorptive two-dimensional (2D) spectra will typically have positive and negative peaks. We show that the absorption bandgap inhomogeneity is robustly determined by the slope of the nodal line separating positive and negative peaks in the 2D spectrum around the bandgap transition; this nodal line slope is independent of excited state parameters not known from the absorption and emission spectra. The absorption bandgap inhomogeneity is compared to a size and shape distributionmore » determined by electron microscopy. The electron microscopy images are analyzed using new 2D histograms that correlate major and minor image projections to reveal elongated nanocrystals, a conclusion supported by grazing incidence small-angle X-ray scattering and high-resolution transmission electron microscopy. Lastly, the absorption bandgap inhomogeneity quantitatively agrees with the bandgap variations calculated from the size and shape distribution, placing upper bounds on any surface contributions.« less

Net Intestinal Transport of Oxalate Reflects Passive Absorption and SLC26A6-mediated Secretion

PubMed Central

Knauf, Felix; Ko, Narae; Jiang, Zhirong; Robertson, William G.; Van Itallie, Christina M.; Anderson, James M.

2011-01-01

Mice lacking the oxalate transporter SLC26A6 develop hyperoxalemia, hyperoxaluria, and calcium-oxalate stones as a result of a defect in intestinal oxalate secretion, but what accounts for the absorptive oxalate flux remains unknown. We measured transepithelial absorption of [14C]oxalate simultaneously with the flux of [3H]mannitol, a marker of the paracellular pathway, across intestine from wild-type and Slc26a6-null mice. We used the anion transport inhibitor DIDS to investigate other members of the SLC26 family that may mediate transcellular oxalate absorption. Absorptive flux of oxalate in duodenum was similar to mannitol, insensitive to DIDS, and nonsaturable, indicating that it is predominantly passive and paracellular. In contrast, in wild-type mice, secretory flux of oxalate in duodenum exceeded that of mannitol, was sensitive to DIDS, and saturable, indicating transcellular secretion of oxalate. In Slc26a6-null mice, secretory flux of oxalate was similar to mannitol, and no net flux of oxalate occurred. Absorptive fluxes of both oxalate and mannitol varied in parallel in different segments of small and large intestine. In epithelial cell lines, modulation of the charge selectivity of the claudin-based pore pathway did not affect oxalate permeability, but knockdown of the tight-junction protein ZO-1 enhanced permeability to oxalate and mannitol in parallel. Moreover, formation of soluble complexes with cations did not affect oxalate absorption. In conclusion, absorptive oxalate flux occurs through the paracellular “leak” pathway, and net absorption of dietary oxalate depends on the relative balance between absorption and SLC26A6-dependent transcellular secretion. PMID:22021714

Drug-nutrient interactions: inhibition of amino acid intestinal absorption by fluoxetine.

PubMed

Urdaneta, E; Idoate, I; Larralde, J

1998-05-01

Fluoxetine is one of the most widely used antidepressants and nowadays it is also being used to manage obesity problems. In our laboratory we demonstrated that the drug inhibited sugar absorption (Monteiro et al. 1993). The aim of the present work was to determine the effect of fluoxetine on intestinal leucine absorption. Using a procedure of successive absorptions in vivo the drug diminished amino acid absorption by 30% (P < 0.001). Experiments in vitro in isolated jejunum also revealed a reduction in leucine uptake of 37% (P < 0.001). In both cases fluoxetine only affected mediated transport without altering diffusion. In a preparation enriched in basolateral membrane, fluoxetine inhibited the Na+,K(+)-ATPase (EC 3.6.1.37) activity (55%; P < 0.001) in a non-competitive manner with an inhibition constant (Ki) value of 0.92 mM. Leucine uptake by brush-border membrane vesicles was diminished by the drug (a reduction of 48% was observed at 30s, P < 0.001); only the apical Na(+)-dependent transport system of the amino acid was modified and the inhibition was non-competitive. Leucine uptake in the presence of lysine indicated that transporter B was involved. These results suggest that fluoxetine reduces leucine absorption by its action on the basolateral and apical membrane of the enterocyte; the nutritional status of the patients under drug treatment may be affected as neutral amino acid absorption is decreased.

Ultrathin efficient perovskite solar cells employing a periodic structure of a composite hole conductor for elevated plasmonic light harvesting and hole collection

NASA Astrophysics Data System (ADS)

Long, Mingzhu; Chen, Zefeng; Zhang, Tiankai; Xiao, Yubin; Zeng, Xiaoliang; Chen, Jian; Yan, Keyou; Xu, Jianbin

2016-03-01

We developed a molecule/polymer composite hole transporting material (HTM) with a periodic microstructure for morphology replication of a corrugated Au electrode, which in combination plays a dual role in the optical and electronic enhancement of high performance perovskite solar cells (PSCs). The electro-optics revealed that perovskite couldn't readily extinct the red light even though the thickness increased to 370 nm, but we found that the quasi periodic microstructure composite (PMC) HTM in combination with the conformal Au electrode could promote the absorption through the enhanced cavity effects, leading to comparable absorption even using much thinner perovskite (240 nm). We identified that the cavity was the combination of Fabry-Pérot interferometer and surface plasmonic resonance, with light harvesting enhancement through surface plasmon polariton or waveguide modes that propagate in the plane of the perovskite layer. On the other hand, the PMC HTM increased hole conductivity by one order of magnitude with respect to standard spiro-OMeTAD HTM due to molecular packing and self-assembly, embodying traceable hole mobility and density elevation up to 3 times, and thus the hysteresis was greatly avoided. Owing to dual optical and electronic enhancement, the PMC PSC afforded high efficiency PSC using as thin as 240 nm perovskite layer, delivering a Voc of 1.05 V, Jsc of 22.9 mA cm-2, FF of 0.736, and efficiency amounting to 17.7% PCE, the highest efficiency with ultrathin perovskite layer.We developed a molecule/polymer composite hole transporting material (HTM) with a periodic microstructure for morphology replication of a corrugated Au electrode, which in combination plays a dual role in the optical and electronic enhancement of high performance perovskite solar cells (PSCs). The electro-optics revealed that perovskite couldn't readily extinct the red light even though the thickness increased to 370 nm, but we found that the quasi periodic microstructure composite (PMC) HTM in combination with the conformal Au electrode could promote the absorption through the enhanced cavity effects, leading to comparable absorption even using much thinner perovskite (240 nm). We identified that the cavity was the combination of Fabry-Pérot interferometer and surface plasmonic resonance, with light harvesting enhancement through surface plasmon polariton or waveguide modes that propagate in the plane of the perovskite layer. On the other hand, the PMC HTM increased hole conductivity by one order of magnitude with respect to standard spiro-OMeTAD HTM due to molecular packing and self-assembly, embodying traceable hole mobility and density elevation up to 3 times, and thus the hysteresis was greatly avoided. Owing to dual optical and electronic enhancement, the PMC PSC afforded high efficiency PSC using as thin as 240 nm perovskite layer, delivering a Voc of 1.05 V, Jsc of 22.9 mA cm-2, FF of 0.736, and efficiency amounting to 17.7% PCE, the highest efficiency with ultrathin perovskite layer. Electronic supplementary information (ESI) available: XRD patterns corresponding to the perovskite; AFM images of 3D PMC HTM perovskite solar cells; performance statistics for 3D PMC HTM; ultraviolet photoelectron spectra (UPS) of HTMs on FTO. See DOI: 10.1039/c5nr05042a

Ab initio calculation of the electronic absorption spectrum of liquid water

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martiniano, Hugo F. M. C.; Galamba, Nuno; Cabral, Benedito J. Costa, E-mail: ben@cii.fc.ul.pt

2014-04-28

The electronic absorption spectrum of liquid water was investigated by coupling a one-body energy decomposition scheme to configurations generated by classical and Born-Oppenheimer Molecular Dynamics (BOMD). A Frenkel exciton Hamiltonian formalism was adopted and the excitation energies in the liquid phase were calculated with the equation of motion coupled cluster with single and double excitations method. Molecular dynamics configurations were generated by different approaches. Classical MD were carried out with the TIP4P-Ew and AMOEBA force fields. The BLYP and BLYP-D3 exchange-correlation functionals were used in BOMD. Theoretical and experimental results for the electronic absorption spectrum of liquid water are inmore » good agreement. Emphasis is placed on the relationship between the structure of liquid water predicted by the different models and the electronic absorption spectrum. The theoretical gas to liquid phase blue-shift of the peak positions of the electronic absorption spectrum is in good agreement with experiment. The overall shift is determined by a competition between the O–H stretching of the water monomer in liquid water that leads to a red-shift and polarization effects that induce a blue-shift. The results illustrate the importance of coupling many-body energy decomposition schemes to molecular dynamics configurations to carry out ab initio calculations of the electronic properties in liquid phase.« less

Highly Sensitive Determination of the Polaron-Induced Optical Absorption of Organic Charge-Transport Materials

NASA Astrophysics Data System (ADS)

Rabe, T.; Görrn, P.; Lehnhardt, M.; Tilgner, M.; Riedl, T.; Kowalsky, W.

2009-04-01

We examine polaron-induced absorption in organic transport materials using a highly sensitive measurement technique. A hole only device is embedded into a low-loss TE2 waveguide structure, and the current induced change of the waveguide absorption is measured. The exemplary study of 2,2',7,7'-tetrakis(N,N-diphenylamine)-9,9'-spiro-bifluorene (S-TAD) reveals a very low polaron absorption cross section of σp≤2.6×10-18cm2 for 560 nm ≤λ≤660nm. The accuracy of this data is unsurpassed by other techniques used for the unambiguous study of polaronic species in organic thin films.

Femtosecond transient absorption, Raman, and electrochemistry studies of tetrasulfonated copper phthalocyanine in water solutions.

PubMed

Abramczyk, H; Brozek-Płuska, B; Kurczewski, K; Kurczewska, M; Szymczyk, I; Krzyczmonik, P; Błaszczyk, T; Scholl, H; Czajkowski, W

2006-07-20

Ultrafast time-resolved electronic spectra of the primary events induced in the copper tetrasulfonated phthalocyanine Cu(tsPc)4-) in aqueous solution has been measured by femtosecond pump-probe transient absorption spectroscopy. The primary events initiated by the absorption of a photon occurring within the femtosecond time scale are discussed on the basis of the electron transfer mechanism between the adjacent phthalocyanine rings proposed recently in our laboratory. The femtosecond transient absorption results are compared with the low temperature emission spectra obtained with Raman spectroscopy and the voltammetric curves.

Absorption of electromagnetic radiation in a quantum wire with an anisotropic parabolic potential in a transverse magnetic field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Karpunin, V. V., E-mail: karpuninvv@mail.ru; Margulis, V. A., E-mail: theorphysics@mrsu.ru

2016-06-15

An analytical expression for the coefficient of absorption of electromagnetic radiation by electrons in a quantum wire in a magnetic field is derived. The case of a magnetic field transverse with respect to the wire axis is considered. The resonance character of absorption is shown, and the resonance frequencies as functions of the field are determined. The effect of the scattering of electrons at optical phonons is studied, and it is shown that scattering is responsible for additional resonance absorption peaks.

Effects of UVB radiation on Photosynthesis Activity of Wolffia arrhiza as Probed by Chlorophyll Fluorescence Transient

NASA Astrophysics Data System (ADS)

Wang, Gaohong; Hao, Zongjie; Chen, Kun; Liu, Yongding

UV radiation is one major environmental stress for growth of Wolffia arrhiza which is regarded as a good candidate producer for establishing CELSS during extraterrestrial colonization and spaceflight. In this study, we found that UVB radiation inhibited photosynthetic CO2 assimilation activity significantly, and the content of chlorophyll a, chlorophyll b and carotenoids decreased obviously when plants were exposed to UVB radiation for 6 h. High UVB radiation also declined the quantum yield of primary photochemistry (φPo), the quantum yield for electron transport (φEo) and the efficiency per trapped excitation (ψo) in the cells of Wolffia arrhiza simultaneously, while the amount of active PSII reaction centers per excited cross section (RC/CS) and the total number of active reaction center per absorption (RC/ABS) had the same changes under UV-B radiation stress. These results indicated that the effects of UV- B radiation on photosynthesis of Wolffia arrhiza maybe functioned by inhibition the electron transport and inactivation of reaction centers, but the inhibition maybe happen in more than one site in photosynthetic apparatus which is different to that in salt adaptation.

Synthesis of Nb doped TiO2 nanotube/reduced graphene oxide heterostructure photocatalyst with high visible light photocatalytic activity

NASA Astrophysics Data System (ADS)

Niu, Xiaoyou; Yan, Weijing; Zhao, Hongli; Yang, Jingkai

2018-05-01

Limited by the narrowed photoresponse range and unsatisfactory recombination of photoinduced electron-hole pairs, the photocatalytic efficiency of TiO2 is still far below what is expected. Here, we initially doped TiO2 nanotubes (TNTS) by transition metal ion Nb, then it is coupled with reduced graphene oxide (rGO) to construct a heterostructure photocatalyst. The defect state presented in TiO2 leading to the formation of localized midgap states (MS) in the bandgap, which regulating the band structure of TiO2 and extending the optical absorption to visible light region. The internal charge transport and transfer behavior analyzed by electrochemical impedance spectroscopy (EIS) reveal that the coupling of rGO with TNTS results in the formation of electron transport channel in the heterostructure, which makes a great contribution to the photoinduced charge separation. As expected, the Nb-TNTS/rGO exhibits a stable and remarkably enhanced photocatalytic activity in the visible-light irradiation degradation of methylene blue (MB), up to ∼5 times with respect to TNTS, which is attributed to the effective inhibition of charge recombination, the reduction of bandgap and higher redox potential, as well as the great adsorptivity.

Influence of defects on the absorption edge of InN thin films: The band gap value

NASA Astrophysics Data System (ADS)

Thakur, J. S.; Danylyuk, Y. V.; Haddad, D.; Naik, V. M.; Naik, R.; Auner, G. W.

2007-07-01

We investigate the optical-absorption spectra of InN thin films whose electron density varies from ˜1017tõ1021cm-3 . The low-density films are grown by molecular-beam-epitaxy deposition while highly degenerate films are grown by plasma-source molecular-beam epitaxy. The optical-absorption edge is found to increase from 0.61to1.90eV as the carrier density of the films is increased from low to high density. Since films are polycrystalline and contain various types of defects, we discuss the band gap values by studying the influence of electron degeneracy, electron-electron, electron-ionized impurities, and electron-LO-phonon interaction self-energies on the spectral absorption coefficients of these films. The quasiparticle self-energies of the valence and conduction bands are calculated using dielectric screening within the random-phase approximation. Using one-particle Green’s function analysis, we self-consistently determine the chemical potential for films by coupling equations for the chemical potential and the single-particle scattering rate calculated within the effective-mass approximation for the electron scatterings from ionized impurities and LO phonons. By subtracting the influence of self-energies and chemical potential from the optical-absorption edge energy, we estimate the intrinsic band gap values for the films. We also determine the variations in the calculated band gap values due to the variations in the electron effective mass and static dielectric constant. For the lowest-density film, the estimated band gap energy is ˜0.59eV , while for the highest-density film, it varies from ˜0.60tõ0.68eV depending on the values of electron effective mass and dielectric constant.

Spectrophotometric and electrical properties of imperatorin: an organic molecule

NASA Astrophysics Data System (ADS)

Mir, Feroz A.

2015-09-01

Imperatorin (molecular formula = C16H14O4, molecular mass = 270) an organic molecule was isolated from ethyl acetate extract of the root parts of the plant Prangos pabularia. The optical study was carried out by ultraviolet-visible spectroscopy, and this compound showed an indirect allowed transition. The optical band gap ( E g ) was found around 3.75 eV. Photoluminescence shows various good emission bands. The frequency-dependent real part of the complex ac conductivity was found to follow the universal dielectric response: σ ac ( ω) α ω s [where σ ac ( ω) is the frequency-dependent total conductivity, ω is the frequency, and s is the frequency exponent]. From ac conductivity data analysis, correlated barrier hopping charge-transport mechanism is the dominant electrical transport process shown by this compound. The good emission, less absorption, wide band gap and good electrical properties shown by this compound project them as a bright choice for organic electronic devices.

B2.5-Eirene modeling of radial transport in the MAGPIE linear plasma device

NASA Astrophysics Data System (ADS)

Owen, L. W.; Caneses, J. F.; Canik, J.; Lore, J. D.; Corr, C.; Blackwell, B.; Bonnin, X.; Rapp, J.

2017-05-01

Radial transport in helicon heated hydrogen plasmas in the MAGnetized Plasma Interaction Experiment (MAGPIE) is studied with the B2.5-Eirene (SOLPS5.0) code. Radial distributions of plasma density, temperature and ambipolar potential are computed for several magnetic field configurations and compared to double Langmuir probe measurements. Evidence for an unmagnetized ion population is seen in the requirement for a convective pinch term in the continuity equation in order to fit the centrally peaked density profile data. The measured slightly hollow electron temperature profiles are reproduced with combinations of on-axis and edge heating which can be interpreted as helicon and Trivelpiece-Gould wave absorption, respectively. Pressure gradient driven radial charged particle diffusion is chosen to describe the diffusive particle flux since the hollowness of the temperature profiles assists the establishment of on-axis density peaking.

ipole: Semianalytic scheme for relativistic polarized radiative transport

NASA Astrophysics Data System (ADS)

Moscibrodzka, Monika; Gammie, Charles F.

2018-04-01

ipole is a ray-tracing code for covariant, polarized radiative transport particularly useful for modeling Event Horizon Telescope sources, though may also be used for other relativistic transport problems. The code extends the ibothros scheme for covariant, unpolarized transport using two representations of the polarized radiation field: in the coordinate frame, it parallel transports the coherency tensor, and in the frame of the plasma, it evolves the Stokes parameters under emission, absorption, and Faraday conversion. The transport step is as spacetime- and coordinate- independent as possible; the emission, absorption, and Faraday conversion step is implemented using an analytic solution to the polarized transport equation with constant coefficients. As a result, ipole is stable, efficient, and produces a physically reasonable solution even for a step with high optical depth and Faraday depth.

Intestinal absorption mechanism of tebipenem pivoxil, a novel oral carbapenem: involvement of human OATP family in apical membrane transport.

PubMed

Kato, Kazuhiko; Shirasaka, Yoshiyuki; Kuraoka, Erika; Kikuchi, Akihiro; Iguchi, Maki; Suzuki, Hisashi; Shibasaki, Shigeki; Kurosawa, Tohru; Tamai, Ikumi

2010-10-04

Tebipenem pivoxil (TBPM-PI) is an oral carbapenem antibiotic for treating otolaryngologic and respiratory infections in pediatric patients. This agent is a prodrug to improve intestinal absorption of TBPM, an active form, and an absorption rate of TBPM-PI is higher than those of other prodrug-type β-lactam antibiotics. In the present study, we hypothesized that a certain mechanism other than simple diffusion is involved in the process of improved intestinal absorption of TBPM-PI and examined the mechanism. TBPM-PI uptake by Caco-2 cells was decreased by ATP-depletion and lowering the temperature to 4 °C, suggesting the contribution of carrier-mediated transport mechanisms. This uptake was partially decreased by ACE inhibitors, and the reduction of the absorption by captopril was observed by in vivo study and in situ single-pass intestinal perfusion study in rat, supporting the contribution of influx transporters. Since some ACE inhibitors and β-lactam antibiotics are reported to be substrates of PEPT and OATP families, we measured transporting activity of TBPM-PI by intestinally expressed transporters, PEPT1, OATP1A2, and OATP2B1. As a result, significant transport activities were observed by both OATP1A2 and OATP2B1 but not by PEPT1. Interestingly, pH dependence of TBPM-PI transports was different between OATP1A2 and OATP2B1, showing highest activity by OATP1A2 at pH 6.5, while OATP2B1-mediated uptake was higher at neutral and weak alkaline pH. OATP1A2 exhibited higher affinity for TBPM-PI (K(m) = 41.1 μM) than OATP2B1 (K(m) > 1 mM) for this agent. These results suggested that TBPM-PI has high intestinal apical membrane permeability due to plural intestinal transport routes, including the uptake transporters such as OATP1A2 and OATP2B1 as well as simple diffusion.

Structural, electronic, magnetic, and transport properties of the equiatomic quaternary Heusler alloy CoRhMnGe: Theory and experiment

NASA Astrophysics Data System (ADS)

Rani, Deepika; Enamullah, Suresh, K. G.; Yadav, A. K.; Jha, S. N.; Bhattacharyya, D.; Varma, Manoj Raama; Alam, Aftab

2017-11-01

In this work, we present structural, electronic, magnetic, mechanical, and transport properties of equiatomic quaternary Heusler alloy, CoRhMnGe, using theoretical and experimental techniques. A detailed structural analysis is performed using x-ray diffraction and extended x-ray absorption fine structure spectroscopy. The alloy is found to crystallize in Y -type structure having space group F 4 ¯3 m (no. 216). The ab initio simulation predicts half-metallic ferromagnetic characteristics leading to large spin polarization. The calculated magnetization is found to be in fair agreement with experiment as well as those predicted by the Slater-Pauling rule, which is a prerequisite for half-metallicity. The magnetic transition temperature (TC) is found to be ˜760 K. Measured electrical resistivity in the temperature range 2-400 K also gives an indication of half-metallic behavior. Effect of hydrostatic pressure on electronic structure, magnetic, and mechanical properties are investigated in detail. The alloy is found to preserve half-metallic characteristics up to 30.27 GPa, beyond which it transits to metallic phase. No magnetic phase transition is found to occur in the whole range of pressure. The system also satisfies the Born-Huang criteria for mechanical stability up to a limited range of pressure. All these properties make the CoRhMnGe alloy promising for spintronics devices.

Piezo-Phototronic Effect on Selective Electron or Hole Transport through Depletion Region of Vis-NIR Broadband Photodiode.

PubMed

Zou, Haiyang; Li, Xiaogan; Peng, Wenbo; Wu, Wenzhuo; Yu, Ruomeng; Wu, Changsheng; Ding, Wenbo; Hu, Fei; Liu, Ruiyuan; Zi, Yunlong; Wang, Zhong Lin

2017-08-01

Silicon underpins nearly all microelectronics today and will continue to do so for some decades to come. However, for silicon photonics, the indirect band gap of silicon and lack of adjustability severely limit its use in applications such as broadband photodiodes. Here, a high-performance p-Si/n-ZnO broadband photodiode working in a wide wavelength range from visible to near-infrared light with high sensitivity, fast response, and good stability is reported. The absorption of near-infrared wavelength light is significantly enhanced due to the nanostructured/textured top surface. The general performance of the broadband photodiodes can be further improved by the piezo-phototronic effect. The enhancement of responsivity can reach a maximum of 78% to 442 nm illumination, the linearity and saturation limit to 1060 nm light are also significantly increased by applying external strains. The photodiode is illuminated with different wavelength lights to selectively choose the photogenerated charge carriers (either electrons or holes) passing through the depletion region, to investigate the piezo-phototronic effect on electron or hole transport separately for the first time. This is essential for studying the basic principles in order to develop a full understanding about piezotronics and it also enables the development of the better performance of optoelectronics. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Short Pulse Laser Absorption and Energy Partition at Relativistic Laser Intensities

NASA Astrophysics Data System (ADS)

Ping, Yuan

2005-10-01

We present the first absorption measurements at laser intensity between 10^17 to 10^20 W/cm^2 using an intergrating sphere and a suite of diagnostics that measures scale length, hot electrons and laser harmonics. A much-enhanced absorption in the regime of relativestic electron heating was observed. Furthermore, we present measurements on the partitioning of absorbed laser energy into thermal and non-thermal electrons when illuminating solid targets from 10^17 to 10^19 W/cm^2. This was measured using a sub-picosecond x-ray streak camera interfaced to a dual crystal von H'amos crystal spectrograph, a spherical crystal x-ray imaging spectrometer, an electron spectrometer and optical spectrometer. Our data suggests an intensity dependent energy-coupling transition with greater energy portion into non-thermal electrons that rapidly transition to thermal electrons. The details of these experimental results and modeling simulations will be presented.

Carbon Quantum Dot Implanted Graphite Carbon Nitride Nanotubes: Excellent Charge Separation and Enhanced Photocatalytic Hydrogen Evolution.

PubMed

Wang, Yang; Liu, Xueqin; Liu, Jia; Han, Bo; Hu, Xiaoqin; Yang, Fan; Xu, Zuwei; Li, Yinchang; Jia, Songru; Li, Zhen; Zhao, Yanli

2018-05-14

Graphite carbon nitride (g-C 3 N 4 ) is a promising candidate for photocatalytic hydrogen production, but only shows moderate activity owing to sluggish photocarrier transfer and insufficient light absorption. Herein, carbon quantum dots (CQDs) implanted in the surface plane of g-C 3 N 4 nanotubes were synthesized by thermal polymerization of freeze-dried urea and CQDs precursor. The CQD-implanted g-C 3 N 4 nanotubes (CCTs) could simultaneously facilitate photoelectron transport and suppress charge recombination through their specially coupled heterogeneous interface. The electronic structure and morphology were optimized in the CCTs, contributing to greater visible light absorption and a weakened barrier of the photocarrier transfer. As a result, the CCTs exhibited efficient photocatalytic performance under light irradiation with a high H 2 production rate of 3538.3 μmol g -1  h -1 and a notable quantum yield of 10.94 % at 420 nm. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Near-infrared photoabsorption by C60 dianions in a storage ring.

PubMed

Kadhane, U; Andersen, J U; Bonderup, E; Concina, B; Hvelplund, P; Suhr Kirketerp, M-B; Liu, B; Nielsen, S Brøndsted; Panja, S; Rangama, J; Støchkel, K; Tomita, S; Zettergren, H; Hansen, K; Sundén, A E K; Canton, S E; Echt, O; Forster, J S

2009-07-07

We present a detailed study of the electronic structure and the stability of C(60) dianions in the gas phase. Monoanions were extracted from a plasma source and converted to dianions by electron transfer in a Na vapor cell. The dianions were then stored in an electrostatic ring, and their near-infrared absorption spectrum was measured by observation of laser induced electron detachment. From the time dependence of the detachment after photon absorption, we conclude that the reaction has contributions from both direct electron tunneling to the continuum and vibrationally assisted tunneling after internal conversion. This implies that the height of the Coulomb barrier confining the attached electrons is at least approximately 1.5 eV. For C(60)(2-) ions in solution electron spin resonance measurements have indicated a singlet ground state, and from the similarity of the absorption spectra we conclude that also the ground state of isolated C(60)(2-) ions is singlet. The observed spectrum corresponds to an electronic transition from a t(1u) lowest unoccupied molecular orbital (LUMO) of C(60) to the t(1g) LUMO+1 level. The electronic levels of the dianion are split due to Jahn-Teller coupling to quadrupole deformations of the molecule, and a main absorption band at 10,723 cm(-1) corresponds to a transition between the Jahn-Teller ground states. Also transitions from pseudorotational states with 200 cm(-1) and (probably) 420 cm(-1) excitation are observed. We argue that a very broad absorption band from about 11,500 cm(-1) to 13,500 cm(-1) consists of transitions to so-called cone states, which are Jahn-Teller states on a higher potential-energy surface, stabilized by a pseudorotational angular momentum barrier. A previously observed, high-lying absorption band for C(60)(-) may also be a transition to a cone state.

Temperature dependence of the fundamental optical absorption edge in crystals and disordered semiconductors

NASA Astrophysics Data System (ADS)

Grein, C. H.; John, Sajeev

1989-04-01

We present a first principles theory of the temperature dependence of the Urbach optical absorption edge in crystals and disordered semiconductors which incorporates the effects of short range correlated static disorder and the non-adiabatic quantum dynamics of the coupled electron-phonon system. At finite temperatures the dominant features of the Urbach tail are accounted for by multiple phonon absorption and emission side bands which accompany the optically induced electronic transition and which provide a dynamic polaronic potential well that localizes the electron. Excellent agreement is found with experimental data on both crystalline and amorphous silicon.

Sugarcane juice derived carbon dot–graphitic carbon nitride composites for bisphenol A degradation under sunlight irradiation

PubMed Central

Wong, Jing Lin; Hak, Chen Hong; Tai, Jun Yan; Leong, Kah Hon; Saravanan, Pichiah

2018-01-01

Carbon dots (CDs) and graphitic carbon nitride (g-C3N4) composites (CD/g-C3N4) were successfully synthesized by a hydrothermal method using urea and sugarcane juice as starting materials. The chemical composition, morphological structure and optical properties of the composites and CDs were characterized using various spectroscopic techniques as well as transmission electron microscopy. X-ray photoelectron spectroscopy (XPS) results revealed new signals for carbonyl and carboxyl groups originating from the CDs in CD/g-C3N4 composites while X-ray diffraction (XRD) results showed distortion of the host matrix after incorporating CDs into g-C3N4. Both analyses signified the interaction between g-C3N4 and CDs. The photoluminescence (PL) analysis indicated that the presence of too many CDs will create trap states at the CD/g-C3N4 interface, decelerating the electron (e−) transport. However, the CD/g-C3N4(0.5) composite with the highest coverage of CDs still achieved the best bisphenol A (BPA) degradation rate at 3.87 times higher than that of g-C3N4. Hence, the charge separation efficiency should not be one of the main factors responsible for the enhancement of the photocatalytic activity of CD/g-C3N4. Instead, the light absorption capability was the dominant factor since the photoreactivity correlated well with the ultraviolet–visible diffuse reflectance spectra (UV–vis DRS) results. Although the CDs did not display upconversion photoluminescence (UCPL) properties, the π-conjugated CDs served as a photosensitizer (like organic dyes) to sensitize g-C3N4 and injected electrons to the conduction band (CB) of g-C3N4, resulting in the extended absorption spectrum from the visible to the near-infrared (NIR) region. This extended spectral absorption allows for the generation of more electrons for the enhancement of BPA degradation. It was determined that the reactive radical species responsible for the photocatalytic activity were the superoxide anion radical (O2 •−) and holes (h+) after performing multiple scavenging tests. PMID:29515949

Synopsis of D- and E-region electron densities during the energy budget campaign

NASA Technical Reports Server (NTRS)

Friedrich, M.; Baker, K. D.; Brekke, A.; Dickinson, P. H. G.; Dumbs, A.; Grandal, B.; Thrane, E. V.; Smith, L. G.; Torkar, K. M.

1982-01-01

Electron density profiles from ground-based and rocket-borne measurements conducted at three sites in northern Scandinavia under various degrees of geophysical disturbances are presented. These data are checked against an instantaneous picture of the ionospheric absorption obtained via the dense riometer network. A map of the riometer absorption and measured electron densities over Scandinavia is given.

Mechanisms for the Dissipation of Alfven Waves in Near-Earth Space Plasma

NASA Technical Reports Server (NTRS)

Singh, Nagendra; Khazanov, George; Krivorutsky, E. N.; Davis, John M. (Technical Monitor)

2002-01-01

Alfven waves are a major mechanism for the transport of electromagnetic energy from the distant part of the magnetosphere to the near-Earth space. This is especially true for the auroral and polar regions of the Earth. However, the mechanisms for their dissipation have remained illusive. One of the mechanisms is the formation of double layers when the current associated with Alfven waves in the inertial regime interact with density cavities, which either are generated nonlinearly by the waves themselves or are a part of the ambient plasma turbulence. Depending on the strength of the cavities, weak and strong double layers could form. Such double layers are transient; their lifetimes depend on that of the cavities. Thus they impulsively accelerate ions and electrons. Another mechanism is the resonant absorption of broadband Alfven- wave noise by the ions at the ion cyclotron frequencies. But this resonant absorption may not be possible for the very low frequency waves, and it may be more suited for electromagnetic ion cyclotron waves. A third mechanism is the excitation of secondary waves by the drifts of electrons and ions in the Alfven wave fields. It is found that under suitable conditions, the relative drifts between different ion species and/or between electrons and ions are large enough to drive lower hybrid waves, which could cause transverse accelerations of ions and parallel accelerations of electrons. This mechanism is being further studied by means of kinetic simulations using 2.5- and 3-D particle-in-cell codes. The ongoing modeling efforts on space weather require quantitative estimates of energy inputs of various kinds, including the electromagnetic energy. Our studies described here contribute to the methods of determining the estimates of the input from ubiquitous Alfven waves.

Electrosynthesis of ZnO nanorods and nanotowers: Morphology and X-ray Absorption Near Edge Spectroscopy studies

NASA Astrophysics Data System (ADS)

Sigircik, Gokmen; Erken, Ozge; Tuken, Tunc; Gumus, Cebrail; Ozkendir, Osman M.; Ufuktepe, Yuksel

2015-06-01

Deposition mechanism of nano-structured ZnO films has been investigated in the absence and presence of chloride ions from aqueous solution. The resulting opto-electronic properties were interpreted extensively, using X-ray diffraction (XRD), X-ray Absorption Near Edge Spectroscopy (XANES), field emission scanning electron microscopy (FE-SEM), UV-Visible spectroscopy and four probe techniques. The ZnO deposition is mass transport controlled process and the interaction of chloride ions with the surface has great influence on diffusion kinetics, considering the substantial species (Zn2+ and OH-) involved in the construction of ZnO film. This effect does not change major lattice parameters, as shown with detailed analysis of XRD data. However, the texture coefficient (Tc) (0 0 2) value is higher in presence of chloride ions containing synthesis solution which gave vertically aligned, well defined and uniformly dispersed nanorods structure. The calculated Eg values are in the range 3.28-3.41 eV and 3.22-3.31 eV for ZnO nanorods and nanotowers synthesized at different deposition periods, respectively. Furthermore, the charge mobility values regarding the deposition periods were measured to be in the ranges from 130.4 to 449.2 cm2 V-1 s-1 and 126.2 to 204.7 cm2 V-1 s-1 for nanorods and nanotowers, respectively. From XANES results, it was shown that the Zn K-edge spectrum is dominated by the transition of Zn 1s core electrons into the unoccupied Zn 4p states of the conduction band. Comparing the rod and tower nano-structured ZnO thin films, the excitation behavior of valence band electrons is different. Moreover, the density states of Zn 4p are higher for ZnO nanorods.

Functional studies of Drosophila zinc transporters reveal the mechanism for dietary zinc absorption and regulation

PubMed Central

2013-01-01

Background Zinc is key to the function of many proteins, but the process of dietary zinc absorption is not well clarified. Current knowledge about dietary zinc absorption is fragmented, and mostly derives from incomplete mammalian studies. To gain a comprehensive picture of this process, we systematically characterized all zinc transporters (that is, the Zip and ZnT family members) for their possible roles in dietary zinc absorption in a genetically amenable model organism, Drosophila melanogaster. Results A set of plasma membrane-resident zinc transporters was identified to be responsible for absorbing zinc from the lumen into the enterocyte and the subsequent exit of zinc to the circulation. dZip1 and dZip2, two functionally overlapping zinc importers, are responsible for absorbing zinc from the lumen into the enterocyte. Exit of zinc to the circulation is mediated through another two functionally overlapping zinc exporters, dZnT1, and its homolog CG5130 (dZnT77C). Somewhat surprisingly, it appears that the array of intracellular ZnT proteins, including the Golgi-resident dZnT7, is not directly involved in dietary zinc absorption. By modulating zinc status in different parts of the body, we found that regulation of dietary zinc absorption, in contrast to that of iron, is unresponsive to bodily needs or zinc status outside the gut. The zinc transporters that are involved in dietary zinc absorption, including the importers dZip1 and dZip2, and the exporter dZnT1, are respectively regulated at the RNA and protein levels by zinc in the enterocyte. Conclusions Our study using the model organism Drosophila thus starts to reveal a comprehensive sketch of dietary zinc absorption and its regulatory control, a process that is still incompletely understood in mammalian organisms. The knowledge gained will act as a reference for future mammalian studies, and also enable an appreciation of this important process from an evolutionary perspective. PMID:24063361

Transport of H(+), Na(+) and K(+) across the posterior midgut of blood-fed mosquitoes (Aedes aegypti).

PubMed

Pacey, Evan K; O'Donnell, Michael J

2014-02-01

Following ingestion of a blood meal, the adult female mosquito undergoes a massive diuresis during which Na(+), Cl(-) and water are secreted at high rates by the Malpighian tubules. In the hours following completion of diuresis, digestion of the K(+)-rich blood cells provides a source of energy as well as amino acids for proteins in the developing eggs. Although the transport of inorganic ions by the Malpighian tubules of blood-fed mosquitoes has been extensively characterized, relatively little is known of the epithelial transport mechanisms responsible for movement of Na(+), H(+), and K(+) across the posterior midgut. In this paper we have used the Scanning Ion-selective Electrode Technique (SIET) to measure the basal (unstimulated) rates of transport of K(+), Na(+) and H(+) across the isolated posterior midgut at intervals after the blood meal. We have also measured luminal concentrations of Na(+) and K(+) and the transepithelial electrical potential at the same time points and have calculated the electrochemical potentials for Na(+), K(+) and H(+) across the midgut. SIET measurements reveal absorption (lumen to bath) of Na(+) and H(+) and secretion of K(+) for the first 2h after blood-feeding. By 24h after the meal, absorption of Na(+) and H(+) remains active while there is an electrochemical gradient favouring absorption of K(+). Inhibition by ouabain and Ba(2+) suggest a role for the Na(+)/K(+)-ATPase and K(+) channels in absorption of Na(+) and K(+), respectively. Inhibition of H(+) absorption by acetazolamide implicates carbonic anhydrase in transepithelial H(+) transport. Copyright © 2014 Elsevier Ltd. All rights reserved.

Energetic particle signatures of satellites and rings in Neptune's magnetosphere

NASA Technical Reports Server (NTRS)

Selesnick, R. S.; Stone, E. C.

1992-01-01

The cosmic ray system on Voyager 2 found a trapped radiation environment in Neptune's inner magnetosphere which is controlled primarily by absorption at the rings and satellite surfaces. The intensity of electrons with kinetic energies approximately greater than 1 MeV shows particularly strong and narrow signatures associated with absorption by the satellite 1989N1 at an orbital radius of 4.75 Neptune radii. Closer to the planet are several signatures of the inner satellites and rings. Absorption limits the intensity of the inner radiation belt sufficiently for the maximum intensity to occur outside the orbit of 1989N1 at a magnetic L shell of about 7. Radial profiles of the electron phase space density show that electrons diffuse inward from a source in the outer magnetosphere. Many of the inward-diffusing electrons are absorbed upon reaching a satellite orbital radius, but the finite absorption efficiency allows some of the electrons to pass by unaffected. The locations of the satellite and ring signatures also provide constraints on the nondipolar components of the planetary magnetic field.

CFTR is required for maximal transepithelial liquid transport in pig alveolar epithelia.

PubMed

Li, Xiaopeng; Comellas, Alejandro P; Karp, Philip H; Ernst, Sarah E; Moninger, Thomas O; Gansemer, Nicholas D; Taft, Peter J; Pezzulo, Alejandro A; Rector, Michael V; Rossen, Nathan; Stoltz, David A; McCray, Paul B; Welsh, Michael J; Zabner, Joseph

2012-07-01

A balance between alveolar liquid absorption and secretion is critical for maintaining optimal alveolar subphase liquid height and facilitating gas exchange in the alveolar space. However, the role of cystic fibrosis transmembrane regulator protein (CFTR) in this homeostatic process has remained elusive. Using a newly developed porcine model of cystic fibrosis, in which CFTR is absent, we investigated ion transport properties and alveolar liquid transport in isolated type II alveolar epithelial cells (T2AECs) cultured at the air-liquid interface. CFTR was distributed exclusively to the apical surface of cultured T2AECs. Alveolar epithelia from CFTR(-/-) pigs failed to increase liquid absorption in response to agents that increase cAMP, whereas cAMP-stimulated liquid absorption in CFTR(+/-) epithelia was similar to that in CFTR(+/+) epithelia. Expression of recombinant CFTR restored stimulated liquid absorption in CFTR(-/-) T2AECs but had no effect on CFTR(+/+) epithelia. In ex vivo studies of nonperfused lungs, stimulated liquid absorption was defective in CFTR(-/-) alveolar epithelia but similar between CFTR(+/+) and CFTR(+/-) epithelia. When epithelia were studied at the air-liquid interface, elevating cAMP levels increased subphase liquid height in CFTR(+/+) but not in CFTR(-/-) T2AECs. Our findings demonstrate that CFTR is required for maximal liquid absorption under cAMP stimulation, but it is not the rate-limiting factor. Furthermore, our data define a role for CFTR in liquid secretion by T2AECs. These insights may help to develop new treatment strategies for pulmonary edema and respiratory distress syndrome, diseases in which lung liquid transport is disrupted.

L-Theanine Administration Modulates the Absorption of Dietary Nutrients and Expression of Transporters and Receptors in the Intestinal Mucosa of Rats.

PubMed

Yan, Qiongxian; Tong, Haiou; Tang, Shaoxun; Tan, Zhiliang; Han, Xuefeng; Zhou, Chuanshe

2017-01-01

L-theanine has various advantageous functions for human health; whether or not it could mediate the nutrients absorption is unknown yet. The effects of L-theanine on intestinal nutrients absorption were investigated using rats ingesting L-theanine solution (0, 50, 200, and 400 mg/kg body weight) per day for two weeks. The decline of insulin secretion and glucose concentration in the serum was observed by L-theanine. Urea and high-density lipoprotein were also reduced by 50 mg/kg L-theanine. Jejunal and ileac basic amino acids transporters SLC7a1 and SLC7a9 , neutral SLC1a5 and SLC16a10 , and acidic SLC1a1 expression were upregulated. The expression of intestinal SGLT3 and GLUT5 responsible for carbohydrates uptake and GPR120 and FABP2 associated with fatty acids transport were inhibited. These results indicated that L-theanine could inhibit the glucose uptake by downregulating the related gene expression in the small intestine of rats. Intestinal gene expression of transporters responding to amino acids absorption was stimulated by L-theanine administration.

Diabetes regulates fructose absorption through thioredoxin-interacting protein

PubMed Central

Dotimas, James R; Lee, Austin W; Schmider, Angela B; Carroll, Shannon H; Shah, Anu; Bilen, Julide; Elliott, Kayla R; Myers, Ronald B; Soberman, Roy J; Yoshioka, Jun; Lee, Richard T

2016-01-01

Metabolic studies suggest that the absorptive capacity of the small intestine for fructose is limited, though the molecular mechanisms controlling this process remain unknown. Here we demonstrate that thioredoxin-interacting protein (Txnip), which regulates glucose homeostasis in mammals, binds to fructose transporters and promotes fructose absorption by the small intestine. Deletion of Txnip in mice reduced fructose transport into the peripheral bloodstream and liver, as well as the severity of adverse metabolic outcomes resulting from long-term fructose consumption. We also demonstrate that fructose consumption induces expression of Txnip in the small intestine. Diabetic mice had increased expression of Txnip in the small intestine as well as enhanced fructose uptake and transport into the hepatic portal circulation. The deletion of Txnip in mice abolished the diabetes-induced increase in fructose absorption. Our results indicate that Txnip is a critical regulator of fructose metabolism and suggest that a diabetic state can promote fructose uptake. DOI: http://dx.doi.org/10.7554/eLife.18313.001 PMID:27725089

Topical methotrexate alters solute and water transport in the rat jejunum in vivo and rabbit ileum in vitro.

PubMed Central

Pinkerton, C R; Booth, I W; Milla, P J

1985-01-01

The topical effect of methotrexate (MTX) on small intestinal hexose and ion transport has been studied using an in vivo steady state jejunal perfusion technique in the rat, and short circuited rabbit terminal ileum in Ussing chambers in vitro. In rat jejunum, perfusion with MTX (1 mumol/l) caused significant reductions in water, sodium, and glucose absorption within 110 minutes of exposure. Fructose absorption was, however, unimpaired. The same concentration of MTX, when added to the mucosal side of distal rabbit ileum caused significant increases in transmucosal potential difference, short circuit current and the unidirectional flux of chloride from serosa to mucosa. In the presence of a subphysiological magnesium concentration (0.3 mmol/l), MTX resulted in the abolition of net sodium absorption and the conversion of net chloride absorption to secretion. We conclude that MTX has a topical effect on small intestinal transport which is independent of its effect on crypt cell kinetics. PMID:4018634

Potential benefits of triethylamine as n-electron donor in the estimation of forskolin by electronic absorption and emission spectroscopy.

PubMed

Raju, Gajula; Ram Reddy, A

2016-02-05

Diterpenoid forskolin was isolated from Coleus forskolii. The electronic absorption and emission studies of forskolin were investigated in various solvents with an aim to improve its detection limits. The two chromophores present in the diterpenoid are not conjugated leading to the poor absorption and emission of UV light. The absorption and fluorescence spectra were solvent specific. In the presence of a monodentate ligand, triethylamine the detection of forskolin is improved by 3.63 times in ethanol with the fluorescence method and 3.36 times in DMSO by the absorption spectral method. The longer wavelength absorption maximum is blue shifted while the lower energy fluorescence maximum is red shifted in the presence of triethylamine. From the wavelength of fluorescence maxima of the exciplex formed between excited forskolin and triethylamine it is concluded that the order of reactivity of hydroxyl groups in the excited state forskolin is in the reverse order to that of the order of the reactivity of hydroxyl groups in its ground state. Copyright © 2015. Published by Elsevier B.V.

Transport properties of puerarin and effect of Radix Angelicae Dahuricae extract on the transport of puerarin in Caco-2 cell model.

PubMed

Liang, Xin-Li; Zhao, Li-Jun; Liao, Zheng-Gen; Zhao, Guo-Wei; Zhang, Jing; Chao, Yun-Chao; Yang, Ming; Yin, Rong-Li

2012-12-18

Angelicae Dahurica (Hoffm.)Benth.& Hook.f.ex Franch.&Sav combined with Pueraria labota (Willd.)Ohwi has been widely used as herb-pairs in traditional Chinese medicine (TCM) for utilization of antipyretic analgesic and anti-inflammatory drugs, and modern pharmacological studies have shown that application compatibility of the two drugs has the effects of cardiovascular disease treatment. The previous study has proved that Radix Angelicae Dahuricae extract could enhance the intestinal absorption of puerarin in Pueraria. But the underlying compatibility mechanism of the two herbs remains unknown. In this study we tried to further evaluate the improvement of Radix Angelicae Dahuricae extract on the puerarin using the Caco-2 cell model and explore the transport properties of puerarin through the above research to discuss the possible effect mechanism of Radix Angelicae Dahuricae extract on the transport of puerarin and the underlying compatibility mechanism of the two herbs. The aim of this work was to study the transport properties of puerarin in Radix Pueraria across Caco-2 cell membrane and to explore how the Radix Angelicae Dahuricae extract affected the transport of puerarin using the well-characterized, human-based intestinal Caco-2 cell model as a platform. The bidirectional transport, and the effects of time, drug concentration, pH, P-gp inhibitors (Verapamil, Cyclosporin A), MRP inhibitor (MK-571) and EDTA-Na(2) (tight junction modulator) on the absorption of puerarin were observed. Then the influence of extract of Radix Angelicae Dahuricae on the transport of puerarin was studied. Drug concentration was measured by HPLC and the apparent permeability coefficients (Papp) and apparent permeability ratio (PDR) were calculated. The results showed that the transport (Papp) of puerarin in Caco-2 cell monolayer model had time and concentration dependence, and the transport showed saturation characteristics with the time and concentration of puerarin to a certain degree. The Papp of puerarin transported on Caco-2 cell monolayer model was significantly changed when the specified inhibitors of P-gp were added to the model and the PDR decreased from 1.74 to 0.43. The absorption of puerarin was improved when combined with Radix Angelicae Dahuricae. The intestinal absorption of puerarin is by passive diffusion as the dominating process and active transportation was mediated by P-gp and MRP transporter in Caco-2 cell monolayer model, and Radix Angelicae Dahuricae could enhance the intestinal absorption of puerarin. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

Effects of acoustic- and optical-phonon sidebands on the fundamental optical-absorption edge in crystals and disordered semiconductors

NASA Astrophysics Data System (ADS)

Grein, C. H.; John, Sajeev

1990-04-01

We present the results of a parameter-free first-principles theory for the fine structure of the Urbach optical-absorption edge in crystalline and disordered semiconductors. The dominant features are recaptured by means of a simple physical argument based on the most probable potential-well analogy. At finite temperatures, the overall linear exponential Urbach behavior of the subgap optical-absorption coefficient is a consequence of multiple LA-phonon emission and absorption sidebands that accompany the electronic transition. The fine structure of subgap absorption spectra observed in some materials is accounted for by multiple TO-, LO-, and TA-phonon absorption and emission sidebands. Good agreement is found with experimental data on crystalline silicon. The effects of nonadiabaticity in the electron-phonon interaction are calculated.

Materials for n-type organic electronics: synthesis and properties of fluoroarene-thiophene semiconductors

NASA Astrophysics Data System (ADS)

Facchetti, Antonio; Yoon, Myung-Han; Katz, Howard E.; Marks, Tobin J.

2003-11-01

Recent progress in the field of organic electronics is due to a fruitful combination of both innovative molecular design and promising low-cost material/device assembly. Targeting the first strategy, we present here the general synthesis of fluoroarene-containing thiophene-based semiconductors and the study of their properties with respect to the corresponding fluorine-free hole-transporting analogues. The new compounds have been characterized by elemental analysis, mass spectrometry, and 1H- and 19F NMR. The dramatic influence of fluorine substitution and molecular architecture has been investigated by solution/film optical absorption, fluorescence emission, and cyclic voltammetry. Single crystal data for all of the oligomers have been obtained and will be presented. Film microstructure and morphology of this new class of materials have been studied by XRD and SEM. Particular emphasis will be posed on the solution-processable oligomers and polymers.

Fully conjugated tri(perylene bisimides): an approach to the construction of n-type graphene nanoribbons.

PubMed

Qian, Hualei; Negri, Fabrizia; Wang, Chunru; Wang, Zhaohui

2008-12-31

We present an experimental study encompassing synthesis and characterization of fully conjugated tri(perylene bisimides) (triPBIs), having 19 six-membered carbon rings in the core and six imide groups at the edges. Two structural isomers of triPBIs resulting from the two probable coupling positions were successfully separated by HPLC. To assist the identification of the two structural isomers, quantum-chemical calculations of electronic structure, NMR, and optical spectra were carried out. Calculations predict stable helical and nonhelical configurations for both triPBIs isomers and allow the assignment of triPBIs 6 unequivocally to the most bathochromically shifted absorption spectrum. Increasing the number of PBI units in oligo-PBIs leads to an expansion of the pi system, in turn associated with a reduction of the transport and optical band gaps, and a remarkable increase in electron affinities, which make oligo-PBIs promising n-type functional components in optoelectronic devices.

Efficient Organic/Inorganic Hybrid Solar Cell Integrating Polymer Nanowires and Inorganic Nanotetrapods.

PubMed

Xu, Weizhe; Tan, Furui; Liu, Xiansheng; Zhang, Weifeng; Qu, Shengchun; Wang, Zhijie; Wang, Zhanguo

2017-12-01

Constructing a highly efficient bulk-heterojunction is of critical importance to the hybrid organic/inorganic solar cells. Here in this work, we introduce a novel hybrid architecture containing P3HT nanowire and CdSe nanotetrapod as bicontinuous charge channels for holes and electrons, respectively. Compared to the traditionally applied P3HT molecules, the well crystallized P3HT nanowires qualify an enhanced light absorption at the long wavelength as well as strengthened charge carrier transport in the hybrid active layer. Accordingly, based on efficient dissociation of photogenerated excitons, the interpercolation of these two nano-building blocks allows a photovoltaic conversion efficiency of 1.7% in the hybrid solar cell, up to 42% enhancement compared to the reference solar cell with traditional P3HT molecules as electron donor. Our work provides a promising hybrid structure for efficient organic/inorganic bulk-heterojunction solar cells.

Enhancing optical response of graphene through stochastic resonance

NASA Astrophysics Data System (ADS)

Ying, Lei; Huang, Liang; Lai, Ying-Cheng

2018-04-01

Enhancing the optical response of graphene is a topic of interest with applications in optoelectronics. Subject to light irradiation, graphene can exhibit nontrivial topologically insulating states, effectively turning itself into a Floquet topological insulator due to the time periodicity of the external driving. We find that, when random disorder is present, its interplay with the topologically insulating states can have a dramatic effect on electronic transport through graphene. In particular, we consider the prototypical setting where a graphene nanoribbon is irradiated by circularly polarized light, where the length of the nanoribbon is sufficiently long so that evanescent states have little effect on transport. We uncover a resonance phenomenon in which the conductance is enhanced as the disorder strength is increased from zero, reaches a maximum value for an optimal level of disorder, and decreases as the disorder is strengthened further. With respect to its value at the zero-disorder strength, the maximum conductance value can be as much as 50 % higher. Qualitatively, this can be understood as a result of the dynamical interplay between disorder and Floquet states (channels) generated by light irradiation. Quantitatively, the resonance phenomenon can be explained in the framework of Born theory, where the disorder reorganizes the Floquet Hamiltonian and enhances the effective coupling between the adjacent Floquet conducting channels. That is, disorder is capable of promoting both photon absorption and emission, leading to significant enhancement of nonequilibrium electronic transport. We demonstrate the robustness of the resonance phenomenon by investigating the effects of spatial symmetry breaking on transport and provide an understanding based on analyzing the behavior of the density of states of the Floquet channels.

Ultrafast X-Ray Absorption Spectroscopy of Isochorically Heated Warm Dense Matter

NASA Astrophysics Data System (ADS)

Engelhorn, Kyle Craig

This dissertation will present a series of new tools, together with new techniques, focused on the understanding of warm and dense matter. We report on the development of a high time resolution and high detection efficiency x-ray camera. The camera is integrated with a short pulse laser and an x-ray beamline at the Advanced Light Source synchrotron. This provides an instrument for single shot, broadband x-ray absorption spectroscopy of warm and dense matter with 2 picosecond time resolution. Warm and dense matter is created by isochorically heating samples of known density with an ultrafast optical laser pulse, and X-ray absorption spectroscopy probes the unoccupied electronic density of states before the onset of hydrodynamic expansion and electron-ion equilibrium is reached. Measured spectra from a variety of materials are compared with first principle molecular dynamics and density functional theory calculations. In heated silicon dioxide spectra, two novel pre-edge features are observed, a peak below the band gap and absorption within the band gap, while a reduction was observed in the features above the edge. From consideration of the calculated spectra, the peak below the gap is attributed to valence electrons that have been promoted to the conduction band, the absorption within the gap is attributed to broken Si-O bonds, and the reduction above the edge is attributed to an elevated ionic temperature. In heated copper spectra, a time-dependent shift and broadening of the absorption edge are observed, consistent with and elevated electron temperature. The temporal evolution of the electronic temperature is accurately determined by fitting the measured spectra with calculated spectra. The electron-ion equilibration is studied with a two-temperature model. In heated nickel spectra, a shift of the absorption edge is observed. This shift is found to be inconsistent with calculated spectra and independent of incident laser fluence. A shift of the chemical potential is applied to the calculated spectra to obtain satisfactory agreement with measured spectra.

Effective Charge Carrier Utilization in Photocatalytic Conversions.

PubMed

Zhang, Peng; Wang, Tuo; Chang, Xiaoxia; Gong, Jinlong

2016-05-17

Continuous efforts have been devoted to searching for sustainable energy resources to alleviate the upcoming energy crises. Among various types of new energy resources, solar energy has been considered as one of the most promising choices, since it is clean, sustainable, and safe. Moreover, solar energy is the most abundant renewable energy, with a total power of 173 000 terawatts striking Earth continuously. Conversion of solar energy into chemical energy, which could potentially provide continuous and flexible energy supplies, has been investigated extensively. However, the conversion efficiency is still relatively low since complicated physical, electrical, and chemical processes are involved. Therefore, carefully designed photocatalysts with a wide absorption range of solar illumination, a high conductivity for charge carriers, a small number of recombination centers, and fast surface reaction kinetics are required to achieve a high activity. This Account describes our recent efforts to enhance the utilization of charge carriers for semiconductor photocatalysts toward efficient solar-to-chemical energy conversion. During photocatalytic reactions, photogenerated electrons and holes are involved in complex processes to convert solar energy into chemical energy. The initial step is the generation of charge carriers in semiconductor photocatalysts, which could be enhanced by extending the light absorption range. Integration of plasmonic materials and introduction of self-dopants have been proved to be effective methods to improve the light absorption ability of photocatalysts to produce larger amounts of photogenerated charge carriers. Subsequently, the photogenerated electrons and holes migrate to the surface. Therefore, acceleration of the transport process can result in enhanced solar energy conversion efficiency. Different strategies such as morphology control and conductivity improvement have been demonstrated to achieve this goal. Fine-tuning of the morphology of nanostructured photocatalysts can reduce the migration distance of charge carriers. Improving the conductivity of photocatalysts by using graphitic materials can also improve the transport of charge carriers. Upon charge carrier migration, electrons and holes also tend to recombine. The suppression of recombination can be achieved by constructing heterojunctions that enhance charge separation in the photocatalysts. Surface states acting as recombination centers should also be removed to improve the photocatalytic efficiency. Moreover, surface reactions, which are the core chemical processes during the solar energy conversion, can be enhanced by applying cocatalysts as well as suppressing side reactions. All of these strategies have been proved to be essential for enhancing the activities of semiconductor photocatalysts. It is hoped that delicate manipulation of photogenerated charge carriers in semiconductor photocatalysts will hold the key to effective solar-to-chemical energy conversion.

Absorption enhancement in type-II coupled quantum rings due to existence of quasi-bound states

NASA Astrophysics Data System (ADS)

Hsieh, Chi-Ti; Lin, Shih-Yen; Chang, Shu-Wei

2018-02-01

The absorption of type-II nanostructures is often weaker than type-I counterpart due to spatially separated electrons and holes. We model the bound-to-continuum absorption of type-II quantum rings (QRs) using a multiband source-radiation approach using the retarded Green function in the cylindrical coordinate system. The selection rules due to the circular symmetry for allowed transitions of absorption are utilized. The bound-tocontinuum absorptions of type-II GaSb coupled and uncoupled QRs embedded in GaAs matrix are compared here. The GaSb QRs act as energy barriers for electrons but potential wells for holes. For the coupled QR structure, the region sandwiched between two QRs forms a potential reservoir of quasi-bound electrons. Electrons in these states, though look like bound ones, would ultimately tunnel out of the reservoir through barriers. Multiband perfectly-matched layers are introduced to model the tunneling of quasi-bound states into open space. Resonance peaks are observed on the absorption spectra of type-II coupled QRs due to the formation of quasi-bound states in conduction bands, but no resonance exist in the uncoupled QR. The tunneling time of these metastable states can be extracted from the resonance and is in the order of ten femtoseconds. Absorption of coupled QRs is significantly enhanced as compared to that of uncoupled ones in certain spectral windows of interest. These features may improve the performance of photon detectors and photovoltaic devices based on type-II semiconductor nanostructures.

Intra- and inter-atomic optical transitions of Fe, Co, and Ni ferrocyanides studied using first-principles many-electron calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Watanabe, Shinta, E-mail: s-watanabe@nucl.nagoya-u.ac.jp, E-mail: j-onoe@nucl.nagoya-u.ac.jp; Sawada, Yuki; Nakaya, Masato

We have investigated the electronic structures and optical properties of Fe, Co, and Ni ferrocyanide nanoparticles using first-principles relativistic many-electron calculations. The overall features of the theoretical absorption spectra for Fe, Ni, and Co ferrocyanides calculated using a first-principles many-electron method well reproduced the experimental one. The origins of the experimental absorption spectra were clarified by performing a configuration analysis based on the many-electron wave functions. For Fe ferrocyanide, the experimental absorption peaks originated from not only the charge-transfer transitions from Fe{sup 2+} to Fe{sup 3+} but also the 3d-3d intra-transitions of Fe{sup 3+} ions. In addition, the spin crossovermore » transition of Fe{sup 3+} predicted by the many-electron calculations was about 0.24 eV. For Co ferrocyanide, the experimental absorption peaks were mainly attributed to the 3d-3d intra-transitions of Fe{sup 2+} ions. In contrast to the Fe and Co ferrocyanides, Ni ferrocyanide showed that the absorption peaks originated from the 3d-3d intra-transitions of Ni{sup 3+} ions in a low-energy region, while from both the 3d-3d intra-transitions of Fe{sup 2+} ions and the charge-transfer transitions from Fe{sup 2+} to Ni{sup 3+} in a high-energy region. These results were quite different from those of density-functional theory (DFT) calculations. The discrepancy between the results of DFT calculations and those of many-electron calculations suggested that the intra- and inter-atomic transitions of transition metal ions are significantly affected by the many-body effects of strongly correlated 3d electrons.« less

[Pathways of lanthanum ion transport across the posterior epithelium of the cornea in rabbits].

PubMed

Virnik, V L

1985-11-01

Morphological estimation of the barrier-transport properties of the posterior epithelium in the donor cornea has been performed in the most early time of fanoxic lesions of the cells. Ionized lanthanum, as an effective inhibitor of oxidative phosphorylation and simultaneously--as a marker of transport pathways for particles similar in their size to water molecule, is used in the investigation. The concentration gradient of rare-earth ions is produced by vital injection of lanthanum trichloride into the proper substance (stroma) of the cornea. From the microinjection focus the electron opaque marker is transported through the substrate of the basal substance of the stroma to the posterior epithelium and further along its intercellular and transcellular pathways into the anterior chamber of the eye. The rare-earth ions freely penetrate through the gap and tight junctions. Transcellular transport of lanthanum in the contents of the plasmolemmal microvesicles, vital absorption of the marker on the lateral and luminal parts of the plasmolemma and on the intracellular membranes, lesions of mitochondria and canaliculi of the endoplasmic reticulum of the anoxic character are stated. A suggestion is made on structural preservation of the pathways of convective and dissipative transition of the substance through the posterior epithelium of the cornea during the earliest time of the experimental anoxia.

Unravelling the structural-electronic impact of arylamine electron-donating antennas on the performances of efficient ruthenium sensitizers for dye-sensitized solar cells

NASA Astrophysics Data System (ADS)

Chen, Wang-Chao; Kong, Fan-Tai; Ghadari, Rahim; Li, Zhao-Qian; Guo, Fu-Ling; Liu, Xue-Peng; Huang, Yang; Yu, Ting; Hayat, Tasawar; Dai, Song-Yuan

2017-04-01

We report a systematic research to understand the structural-electronic impact of the arylamine electron-donating antennas on the performances of the ruthenium complexes for dye-sensitized solar cells. Three ruthenium complexes functionalized with different arylamine electron-donating antennas (N,N-diethyl-aniline in RC-31, julolidine in RC-32 and N,N-dibenzyl-aniline in RC-36) are designed and synthesized. The photoelectric properties of RC dyes exhibit apparent discrepancy, which are ascribed to different structural nature and electronic delocalization ability of these arylamine electron-donating system. In conjunction with TiO2 microspheres photoanode and a typical coadsorbent DPA, the devices sensitized by RC-36 achieve the best conversion efficiency of 10.23%. The UV-Vis absorption, electrochemical measurement, incident photon-to-current conversion efficiency and transient absorption spectra confirm that the excellent performance of RC-36 is induced by synergistically structural-electronic impacts from enhanced absorption capacity and well-tuned electronic characteristics. These observations provide valuable insights into the molecular engineering methodology based on fine tuning structural-electronic impact of electron-donating antenna in efficient ruthenium sensitizers.

Intestinal fluid absorption in spontaneously hypertensive rats.

PubMed Central

Dorey, P G; King, J; Munday, K A; Parsons, B J; Poat, J A

1983-01-01

A comparison has been made of intestinal fluid absorption between male Okamoto spontaneously hypertensive rats (s.h.r.) and normotensive male Wistar controls. S.h.r. show enhanced fluid absorption both in hypertensive adults and in young s.h.r. before hypertension has developed. Several potential causes for increased fluid transport in s.h.r. were tested using pharmacological antagonists. It is unlikely that enhanced fluid absorption is due to high sympathetic nervous activity, the renin-angiotensin system or is secondary to hypertension. Intestine from s.h.r. have a high short-circuit current indicating a change in ion pump activity. These results are discussed in relation to the possible causes of increased fluid (ion) transport by the intestine of s.h.r. PMID:6361232

Observation of Electron Bernstein Wave Heating in the RFP

NASA Astrophysics Data System (ADS)

Seltzman, Andrew; Anderson, Jay; Goetz, John; Forest, Cary

2017-10-01

The first observation of RF heating in a reversed field pinch (RFP) using the electron Bernstein wave (EBW) has been demonstrated on MST. Efficient mode conversion of an outboard-launched X mode wave at 5.5 GHz leads to Doppler-shifted resonant absorption (ωrf = nωce-k||v||) for a broad range (n =1-7) of harmonics. The dynamics of EBW-heated electrons are measured using a spatial distribution of solid targets with diametrically opposed x-ray detectors. EBW heating produces a clear supra-thermal electron tail in MST. Radial deposition of the EBW is controlled with |B|and is measured using the HXR flux emitted from an insertable probe. In the thick-shelled MST RFP, the radial accessibility of EBW is limited to r/a >0.8 ( 10cm) by magnetic field error induced by the porthole necessary for the antenna. Experimental measurements show EBW propagation inward through a stochastic magnetic field. EBW-heated test electrons are used as a direct probe of edge (r/a >0.9) radial transport, showing a modest transition from `standard' to reduced-tearing RFP operation. Electron loss is too fast for collisional effects and implies a large non-collisional radial diffusivity. EBW heating has been demonstrated in reduced magnetic stochasticity plasmas with β = 15-20%. Work supported by USDOE.

Influence of Chronic Social Defeat Stress on Digestive System Functioning in Rats.

PubMed

Toyoda, Atsushi; Iio, Wataru; Matsukawa, Noriko; Tsukahara, Takamitsu

2015-01-01

Mental disorders are caused by chronic psychosocial stress, and can cause various symptoms related to the digestive system. We focused on the conjugation of intestinal absorptive and enzymatic mechanisms between chronic social defeat stress (CSDS) model rats and healthy controls to obtain general biochemical data about the intestine of the model in this study. The small intestine was divided into three regions: proximal (PI), middle (MI), and distal (DI); mRNA expression associated with a nutrient absorption, glucose absorption activity, and activities of the digestive enzymes such as maltase, sucrase and lactase was measured. Expression of both sodium-dependent glucose transporter 1 (Sglt1) and glucose transporter 2 gene tended to be higher in the stress group compared to the control group in PI. Glucose absorption was also higher in PI of the CSDS group. Sglt1 and peptide transporter 1 gene expressions in the CSDS group were significantly higher than those in the control group in DI. Furthermore, in PI, expression of the aquaporin 1 gene was significantly higher in the CSDS group compared to the control group. Thus, absorption of some nutrients might be higher in the small intestine of the CSDS rat.

Copper Deficiency Leads to Anemia, Duodenal Hypoxia, Upregulation of HIF-2α and Altered Expression of Iron Absorption Genes in Mice

PubMed Central

Matak, Pavle; Zumerle, Sara; Mastrogiannaki, Maria; El Balkhi, Souleiman; Delga, Stephanie; Mathieu, Jacques R. R.; Canonne-Hergaux, François; Poupon, Joel; Sharp, Paul A.; Vaulont, Sophie; Peyssonnaux, Carole

2013-01-01

Iron and copper are essential trace metals, actively absorbed from the proximal gut in a regulated fashion. Depletion of either metal can lead to anemia. In the gut, copper deficiency can affect iron absorption through modulating the activity of hephaestin - a multi-copper oxidase required for optimal iron export from enterocytes. How systemic copper status regulates iron absorption is unknown. Mice were subjected to a nutritional copper deficiency-induced anemia regime from birth and injected with copper sulphate intraperitoneally to correct the anemia. Copper deficiency resulted in anemia, increased duodenal hypoxia and Hypoxia inducible factor 2α (HIF-2α) levels, a regulator of iron absorption. HIF-2α upregulation in copper deficiency appeared to be independent of duodenal iron or copper levels and correlated with the expression of iron transporters (Ferroportin - Fpn, Divalent Metal transporter – Dmt1) and ferric reductase – Dcytb. Alleviation of copper-dependent anemia with intraperitoneal copper injection resulted in down regulation of HIF-2α-regulated iron absorption genes in the gut. Our work identifies HIF-2α as an important regulator of iron transport machinery in copper deficiency. PMID:23555700

Directional charge transfer mediated by mid-gap states: A transient absorption spectroscopy study of CdSe quantum dot/β-Pb 0.33V 2O 5 heterostructures

DOE PAGES

Milleville, Christopher C.; Pelcher, Kate E.; Sfeir, Matthew Y.; ...

2016-02-15

For solar energy conversion, not only must a semiconductor absorb incident solar radiation efficiently but also its photoexcited electron—hole pairs must further be separated and transported across interfaces. Charge transfer across interfaces requires consideration of both thermodynamic driving forces as well as the competing kinetics of multiple possible transfer, cooling, and recombination pathways. In this work, we demonstrate a novel strategy for extracting holes from photoexcited CdSe quantum dots (QDs) based on interfacing with β-Pb 0.33V 2O 5 nanowires that have strategically positioned midgap states derived from the intercalating Pb 2+ ions. Unlike midgap states derived from defects or dopants,more » the states utilized here are derived from the intrinsic crystal structure and are thus homogeneously distributed across the material. CdSe/β-Pb 0.33V 2O 5 heterostructures were assembled using two distinct methods: successive ionic layer adsorption and reaction (SILAR) and linker-assisted assembly (LAA). Transient absorption spectroscopy measurements indicate that, for both types of heterostructures, photoexcitation of CdSe QDs was followed by the transfer of electrons to the conduction band of β-Pb 0.33V 2O 5 nanowires and holes to the midgap states of β-Pb 0.33V 2O 5 nanowires. Holes were transferred on time scales less than 1 ps, whereas electrons were transferred more slowly on time scales of ~2 ps. In contrast, for analogous heterostructures consisting of CdSe QDs interfaced with V 2O 5 nanowires (wherein midgap states are absent), only electron transfer was observed. Interestingly, electron transfer was readily achieved for CdSe QDs interfaced with V 2O 5 nanowires by the SILAR method; however, for interfaces incorporating molecular linkers, electron transfer was observed only upon excitation at energies substantially greater than the bandgap absorption threshold of CdSe. Furthermore, transient absorbance decay traces reveal longer excited-state lifetimes (1–3 μs) for CdSe/β-Pb 0.33V 2O 5 heterostructures relative to bare β-Pb 0.33V 2O 5 nanowires (0.2 to 0.6 μs); the difference is attributed to surface passivation of intrinsic surface defects in β-Pb 0.33V 2O 5 upon interfacing with CdSe.« less

Absorption and scattering properties of organic carbon vs. sulfate dominant aerosols at Gosan climate observatory in Northeast Asia

NASA Astrophysics Data System (ADS)

Lim, S.; Lee, M.; Kim, S.-W.; Yoon, S.-C.; Lee, G.; Lee, Y.

2013-12-01

Carbonaceous and soluble ionic species of PM1.0 and PM10 were measured along with the absorption and scattering properties and aerosol number size distributions at Gosan climate observatory (GCO) from January to September 2008. The daily averaged equivalent black carbon (EBC) measured as aerosol absorption exhibited two types of spectral dependence with a distinct maximum (peak) at either 370 nm or 880 nm, by which two subsets were extracted and classified into the respective groups (370 nm and 880 nm). The 370 nm group was distinguished by high organic carbon (OC) concentrations relative to elemental carbon (EC) and sulfate, but sulfate was predominant for the 880 nm group. The PM1.0 OC of the 370 nm group was mainly composed of refractory and pyrolized components that correlated well with PM1.0 EC1, referred to as char EC, which suggests biofuel and biomass combustion as the source of these OC fractions, particularly during winter. The scanning electron microscope (SEM) images and the number size distributions implied that aerosols of the 370 nm group were externally mixed upon transport in fast-moving air masses that passed through the Beijing area in about one day. In contrast, the aerosols of the 880 nm group were characterized by high sulfate concentrations, and seemed to be internally mixed during slow transport over the Yellow Sea region over approximately two to four days. The absorption and scattering coefficients of the 880 nm group were noticeably higher compared to those of the 370 nm group. The average absorption ångström exponent (AAE) was estimated to be 1.29 and 1.0 for the 370 nm and 880 nm groups, respectively, in the range 370-950 nm. These results demonstrated that the optical properties of aerosols were intimately linked to chemical composition and mixing state, characteristics determined both by source and atmospheric aging processes. In OC dominant aerosols, absorption was enhanced in the UV region, which was possibly due to refractory and pyrolized OC compounds. Under sulfate dominant conditions, the sulfate coating on BC particles contributed to the absorption of the longer visible light. Consequently, single scattering albedo (SSA) was higher for the 880 nm group than for the 370 nm group, emphasizing that the relative abundances of absorbing and scattering constituents are also important in estimating the climate effect of aerosols.

Absorption and scattering properties of organic carbon versus sulfate dominant aerosols at Gosan climate observatory in Northeast Asia

NASA Astrophysics Data System (ADS)

Lim, S.; Lee, M.; Kim, S.-W.; Yoon, S.-C.; Lee, G.; Lee, Y. J.

2014-08-01

Carbonaceous and soluble ionic species of PM1.0 and PM10 were measured along with the absorption and scattering properties and aerosol number size distributions at Gosan Climate Observatory (GCO) from January to September 2008. The daily averaged equivalent black carbon (EBC) measured as aerosol absorption exhibited two types of spectral dependence with a distinct maximum (peak) at either 370 nm or 880 nm, by which two subsets were extracted and classified into the respective groups (370 and 880 nm). The 370 nm group was distinguished by high organic carbon (OC) concentrations relative to elemental carbon (EC) and sulfate, but sulfate was predominant for the 880 nm group. The PM1.0 OC of the 370 nm group was mainly composed of refractory and pyrolized components that correlated well with PM1.0 EC1, referred to as char EC, which suggests biofuel and biomass combustion as the source of these OC fractions, particularly during winter. The scanning electron microscope (SEM) images and the number size distributions implied that aerosols of the 370 nm group were externally mixed upon transport in fast-moving air masses that passed through the Beijing area in about one day. In contrast, the aerosols of the 880 nm group were characterized by high sulfate concentrations, and seemed to be internally mixed during slow transport over the Yellow Sea region over approximately 2 to 4 days. The absorption and scattering coefficients of the 880 nm group were noticeably higher compared to those of the 370 nm group. The average absorption ångström exponent (AAE) was estimated to be 1.29 and 1.0 for the 370 and 880 nm groups, respectively, in the range 370-950 nm. These results demonstrated that the optical properties of aerosols were intimately linked to chemical composition and mixing state, characteristics determined both by source and atmospheric aging processes. In OC dominant aerosols, absorption was enhanced in the UV region, which was possibly due to refractory and pyrolized OC compounds. Under sulfate dominant conditions, the sulfate coating on BC particles likely contributed to the absorption of the longer visible light. Consequently, single scattering albedo (SSA) was higher for the 880 nm group than for the 370 nm group, emphasizing that the relative abundances of absorbing and scattering constituents are also important in estimating the climate effect of aerosols.

Optical absorption in degenerately doped semiconductors: Mott transition or Mahan excitons?

NASA Astrophysics Data System (ADS)

Schleife, André.; Rödl, Claudia; Hannewald, Karsten; Bechstedt, Friedhelm

2012-02-01

In the exploration of material properties, parameter-free calculations are a modern, sophisticated complement to cutting-edge experimental techniques. Ab-initio calculations are now capable of providing a deep understanding of the interesting physics underlying the electronic structure and optical absorption, e.g., of the transparent conductive oxides. Due to electron doping, these materials are conductive even though they have wide fundamental band gaps. The degenerate electron gas in the lowest conduction-band states drastically modifies the Coulomb interaction between the electrons and, hence, the optical properties close to the absorption edge. We describe these effects by developing an ab-initio technique which captures also the Pauli blocking and the Fermi-edge singularity at the optical absorption onset, that occur in addition to quasiparticle and excitonic effects. We answer the question whether free carriers induce an excitonic Mott transition or trigger the evolution of Wannier-Mott excitons into Mahan excitons. The prototypical n-type zinc oxide is studied as an example.

The origin of absorptive features in the two-dimensional electronic spectra of rhodopsin.

PubMed

Farag, Marwa H; Jansen, Thomas L C; Knoester, Jasper

2018-05-09

In rhodopsin, the absorption of a photon causes the isomerization of the 11-cis isomer of the retinal chromophore to its all-trans isomer. This isomerization is known to occur through a conical intersection (CI) and the internal conversion through the CI is known to be vibrationally coherent. Recently measured two-dimensional electronic spectra (2DES) showed dramatic absorptive spectral features at early waiting times associated with the transition through the CI. The common two-state two-mode model Hamiltonian was unable to elucidate the origin of these features. To rationalize the source of these features, we employ a three-state three-mode model Hamiltonian where the hydrogen out-of plane (HOOP) mode and a higher-lying electronic state are included. The 2DES of the retinal chromophore in rhodopsin are calculated and compared with the experiment. Our analysis shows that the source of the observed features in the measured 2DES is the excited state absorption to a higher-lying electronic state and not the HOOP mode.

Evaluation of intestinal metabolism and absorption using the Ussing chamber system equipped with intestinal tissue from rats and dogs.

PubMed

Miyake, Masateru; Kondo, Satoshi; Koga, Toshihisa; Yoda, Noriaki; Nakazato, Satoru; Emoto, Chie; Mukai, Tadashi; Toguchi, Hajime

2018-01-01

The purpose of this study was to evaluate the intestinal metabolism and absorption in a mini-Ussing chamber equipped with animal intestinal tissues, based on the transport index (TI). TI value was defined as the sum of drug amounts transported to the basal-side component (X corr ) and drug amounts accumulated in the tissue (T corr ), which are normalized by AUC of a drug in the apical compartment, as an index for drug absorption. Midazolam was used as a test compound for the evaluation of intestinal metabolism and absorption. The metabolite formulation of midazolam was observed in both rats and dogs. Ketoconazole inhibited the intestinal metabolism of midazolam in rats and improved its intestinal absorption to a statistically significant extent. Therefore, the mini-Ussing chamber, equipped with animal intestinal tissues, showed potential to use the evaluation of the intestinal metabolism and absorption, including the assessment of species differences. Copyright © 2017. Published by Elsevier B.V.

Effect of interdiffusion and external magnetic field on electronic states and light absorption in Gaussian-shaped double quantum ring

NASA Astrophysics Data System (ADS)

Aziz-Aghchegala, V. L.; Mughnetsyan, V. N.; Kirakosyan, A. A.

2018-02-01

The effect of interdiffusion and magnetic field on confined states of electron and heavy hole as well as on interband absorption spectrum in a Ga1-xAlxAs/GaAs Gaussian-shaped double quantum ring are investigated. It is shown that both interdiffusion and magnetic field lead to the change of the charge carriers' quantum states arrangement by their energies. The oscillating behavior of the electron ground state energy as a function of magnetic field induction gradually disappears with the increase of diffusion parameter due to the enhanced tunneling of electron to the central region of the ring. For the heavy hole the ground state energy oscillations are not observable in the region of the values of magnetic field induction B = 0 - 10 T . For considered transitions both the magnetic field and the interdiffusion lead to a blue-shift of the absorption spectrum and to decreasing of the absorption intensity. The obtained results indicate on the opportunity of purposeful manipulation of energy states and absorption spectrum of a Gaussian-shaped double quantum ring by means of the post growth annealing and the external magnetic field.

Optical absorption, electron spin resonance, and electron spin echo studies of the photoionization of tetramethylbenzidine in cationic and anionic synthetic vesicles: comparison with analogous micellar systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, A.S.W.; Kevan, L.

1983-09-07

The photoionization of N,N,N',N'-tetramethylbenzidine (TMB) in dihexadecylphosphate anionic vesicles and in dioctadecyldimethylammonium chloride cationic vesicles has been studied by optical absorption and electron spin resonance in liquid and frozen solutions. The TMB cation has been observed to be stabilized in both types of vesicles. The photoionization efficiency is about twofold greater in the cationic vesicles compared to the anionic vesicles. Shifts in the optical absorption maximum between micellar and vesicle solutions indicate that TMB is in a less polar environment in the vesicle systems. Electron spin echo modulation spectrometry has been used to detect TMB cation-water interactions that are foundmore » to be weaker than in previously studied micellar solutions. This is consistent with the optical absorption results and with an asymmetric solubilization site for TMB and TMB/sup +/ within the vesicular structure. A new absorption in the photoionized vesicles is assigned to a nonparamagnetic diamine-diimine charge-transfer complex between two TMB cations in the same vesicle. This complex is not formed in micellar systems. 5 figures.« less

Microvillus-Specific Protein Tyrosine Phosphatase SAP-1 Plays a Role in Regulating the Intestinal Paracellular Transport of Macromolecules.

PubMed

Mori, Shingo; Kamei, Noriyasu; Murata, Yoji; Takayama, Kozo; Matozaki, Takashi; Takeda-Morishita, Mariko

2017-09-01

The stomach cancer-associated protein tyrosine phosphatase 1 (SAP-1) is a receptor-type protein tyrosine phosphatase that is specifically expressed on the apical membrane of the intestinal epithelium. SAP-1 is known to maintain the balance of phosphorylation of proteins together with protein kinases; however, its biological function and impact on pharmacokinetics in the intestine remain unclear. The present study, therefore, aimed at clarifying the relationship between SAP-1 and the intestinal absorption behaviors of typical transporter substrates and macromolecules. The endogenous levels of glucose and total cholesterol in the blood were similar between wild-type and SAP-1-deficient mice (Sap1 -/- ), suggesting no contribution of SAP-1 to biogenic influx. Moreover, in vitro transport study with everted ileal sacs demonstrated that there was no difference in the absorption of breast cancer resistance protein, P-glycoprotein, and peptide transporter substrates between both mice. However, absorptive clearance of macromolecular model dextrans (FD-4 and FD-10) in Sap1 -/- mice was significantly higher than that in wild-type mice, and this was confirmed by the trend of increased FD-4 absorption from colonic loops of Sap1 -/- mice. Therefore, the results of this study suggest the partial contribution of SAP-1 to the regulated transport of hydrophilic macromolecules through paracellular tight junctions. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Charge distribution and transport properties in reduced ceria phases: A review

NASA Astrophysics Data System (ADS)

Shoko, E.; Smith, M. F.; McKenzie, Ross H.

2011-12-01

The question of the charge distribution in reduced ceria phases (CeO2-x) is important for understanding the microscopic physics of oxygen storage capacity, and the electronic and ionic conductivities in these materials. All these are key properties in the application of these materials in catalysis and electrochemical devices. Several approaches have been applied to study this problem, including ab initio methods. Recently [1], we applied the bond valence model (BVM) to discuss the charge distribution in several different crystallographic phases of reduced ceria. Here, we compare the BVM results to those from atomistic simulations to determine if there is consistency in the predictions of the two approaches. Our analysis shows that the two methods give a consistent picture of the charge distribution around oxygen vacancies in bulk reduced ceria phases. We then review the transport theory applicable to reduced ceria phases, providing useful relationships which enable comparison of experimental results obtained by different techniques. In particular, we compare transport parameters obtained from the observed optical absorption spectrum, α(ω), dc electrical conductivity with those predicted by small polaron theory and the Harrison method. The small polaron energy is comparable to that estimated from α(ω). However, we found a discrepancy between the value of the electron hopping matrix element, t, estimated from the Marcus-Hush formula and that obtained by the Harrison method. Part of this discrepancy could be attributed to the system lying in the crossover region between adiabatic and nonadiabatic whereas our calculations assumed the system to be nonadiabatic. Finally, by considering the relationship between the charge distribution and electronic conductivity, we suggest the possibility of low temperature metallic conductivity for intermediate phases, i.e., x˜0.3. This has not yet been experimentally observed.

Transepithelial transport of flavanone in intestinal Caco-2 cell monolayers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kobayashi, Shoko; Konishi, Yutaka

2008-03-28

Our recent study [S. Kobayashi, S. Tanabe, M. Sugiyama, Y. Konishi, Transepithelial transport of hesperetin and hesperidin in intestinal Caco-2 cell monolayers, Biochim. Biophys. Acta, 1778 (2008) 33-41] shows that the mechanism of absorption of hesperetin involves both proton-coupled active transport and transcellular passive diffusion. Here, as well as analyzing the cell permeability of hesperetin, we also study the transport of other flavanones, naringenin and eriodictyol, using Caco-2 cell monolayers. Similar to hesperetin mentioned, naringenin and eriodictyol showed proton-coupled polarized transport in apical-to-basolateral direction in non-saturable manner, constant permeation in the apical-to-basolateral direction (J{sub ap{yields}}{sub bl}) irrespective of the transepithelialmore » electrical resistance (TER), and preferable distribution into the basolateral side after apical loading in the presence of a proton gradient. Furthermore, the proton-coupled J{sub ap{yields}}{sub bl} of hesperetin, naringenin and eriodictyol, were inhibited by substrates of the monocarboxylic acid transporter (MCT), such as benzoic acid, but not by ferulic acid. In contrast, both benzoic and ferulic acids have no stimulatory effect on J{sub ap{yields}}{sub bl} of each flavanone by trans-stimulation analysis. These results indicates that proton-driven active transport is commonly participated in the absorption of flavanone in general, and that its transport is presumed to be unique other than MCT-mediated transport for absorption of phenolic acids (PAs), sodium-dependent MCT (SMCT) nor anion exchanger-mediated transport.« less

Effects of dietary glucose and sodium chloride on intestinal glucose absorption of common carp (Cyprinus carpio L.).

PubMed

Qin, Chaobin; Yang, Liping; Zheng, Wenjia; Yan, Xiao; Lu, Ronghua; Xie, Dizhi; Nie, Guoxing

2018-01-08

The co-transport of sodium and glucose is the first step for intestinal glucose absorption. Dietary glucose and sodium chloride (NaCl) may facilitate this physiological process in common carp (Cyprinus carpio L.). To test this hypothesis, we first investigated the feeding rhythm of intestinal glucose absorption. Carps were fed to satiety once a day (09:00 a.m.) for 1 month. Intestinal samples were collected at 01:00, 05:00, 09:00, 13:00, 17:00 and 21:00. Result showed that food intake greatly enhanced sodium/glucose cotransporter 1 (SGLT1) and glucose transporter type 2 (GLUT2) expressions, and improved glucose absorption, with highest levels at 09:00 a.m.. Then we designed iso-nitrogenous and iso-energetic diets with graded levels of glucose (10%, 20%, 30%, 40% and 50%) and NaCl (0%, 1%, 3% and 5%), and submitted to feeding trial for 10 weeks. The expressions of SGLT1 and GLUT2, brush border membrane vesicles (BBMVs) glucose transport and intestinal villus height were determined after the feeding trial. Increasing levels of dietary glucose and NaCl up-regulated mRNA and protein levels of SGLT1 and GLUT2, enhanced BBMVs glucose transport in the proximal, mid and distal intestine. As for histological adaptive response, however, high-glucose diet prolonged while high-NaCl diet shrank intestinal villus height. Furthermore, we also found that higher mRNA levels of SGLT1 and GLUT2, higher glucose transport capacity of BBMVs, and higher intestinal villus were detected in the proximal and mid intestine, compared to the distal part. Taken together, our study indicated that intestinal glucose absorption in carp was primarily occurred in the proximal and mid intestine, and increasing levels of dietary glucose and NaCl enhanced intestinal glucose absorption in carp. Copyright © 2017 Elsevier Inc. All rights reserved.

Functional characterization of folic acid transport in the intestine of the laying hen using the everted intestinal sac model.

PubMed

Tactacan, G B; Rodriguez-Lecompte, J C; Karmin, O; House, J D

2011-01-01

Absorption at the level of the intestine is likely a primary regulatory mechanism for the deposition of dietary supplemented folic acid into the chicken egg. Therefore, factors affecting the intestinal transport of folic acid in the laying hen may influence the level of egg folate concentrations. To this end, a series of experiments using intestinal everted sacs were conducted to characterize intestinal folic acid absorption processes in laying hens. Effects of naturally occurring folate derivatives (5-methyl and 10-formyltetrahydrofolate) as well as heme on folic acid absorption were also investigated. Folic acid absorption was measured based on the rate of uptake of (3)H-labeled folic acid in the everted sac from various segments of the small and large intestines. Folic acid concentration, incubation length, and pH condition were optimized before the performance of uptake experiments. The distribution profile of folic acid transport along the intestine was highest in the upper half of the small intestine. Maximum uptake rate (nmol·100 g tissue(-1)·min(-1)) was observed in the duodenum (20.6 ± 1.9) and jejunum (22.3 ± 2.0) and decreased significantly in the ileum (15.3 ± 1.1) and cecum (9.3 ± 0.9). Transport increased proportionately (P < 0.05) between 0.0001 and 0.1 µM folic acid. Above 0.1 µM, the slope of the regression line was not significantly different from zero (P < 0.137). Folic acid uptake in the jejunum showed a maximum rate of transport at pH 6.0, but was lowest at pH 7.5. The presence of 5-methyl and 10-formyltetrahydrofolate as well as heme impeded folic acid uptake, reducing intestinal folic acid absorption when added at concentrations ranging from 0 to 100 µM. Overall, these data indicated the presence of a folic acid transport system in the entire intestine of the laying hen. Uptake of folic acid in the cecum raises the likelihood of absorption of bacterial-derived folate.

Absorption of mulberry root urease to the hemolymph of the silkworm, Bombyx mori.

PubMed

Kurahashi, Hitoshi; Atiwetin, Panida; Nagaoka, Sumiharu; Miyata, Seiji; Kitajima, Sakihito; Sugimura, Yukio

2005-09-01

Mulberry leaves are the sole diet of the silkworm, Bombyx mori. The host urease is incorporated into the larval hemolymph and involved in nitrogen metabolism in the insect. To investigate the selective absorption of the host urease to the larvae, crude urease was prepared from mulberry leaves and roots. Root urease was identical to leaf urease on the basis of electrophoretic analyses: (1) the urease activity appeared in the same migration position in a native gel; (2) There was no difference in molecular mass of the subunit. The root urease was orally injected to the fifth instar larvae of the silkworm. Just before spinning, the larvae absorbed intact urease from the midgut lumen to the hemolymph without the loss of activity. The capacity to absorb urease occurred only at the specific stage. Localization of host urease in midgut tissue was observed using confocal laser scanning microscopy and transmission electron microscopy. Based on spatial distribution of immunofluorescent signals and immunogold particles, host urease specifically attached to the surfaces of microvilli existing in the apical side of columnar cells and appeared in the cytoplasm of the cells for transport to the hemolymph. The incorporation efficiency of root urease into the hemolymph was significantly higher than for ureases from jack bean seeds and Bacillus pasteurii. The urease that was transported to the hemolymph was electrophoretically altered, compared with the host urease extracted.

Probing the dependence of electron transfer on size and coverage in carbon nanotube-quantum dot heterostructures

DOE PAGES

Wang, Lei; Wong, Stanislaus S.; Han, Jinkyu; ...

2015-11-16

As a model system for understanding charge transfer in novel architectural designs for solar cells, double-walled carbon nanotube (DWNT)–CdSe quantum dot (QD) (QDs with average diameters of 2.3, 3.0, and 4.1 nm) heterostructures have been fabricated. The individual nanoscale building blocks were successfully attached and combined using a hole-trapping thiol linker molecule, i.e., 4-mercaptophenol (MTH), through a facile, noncovalent π–π stacking attachment strategy. Transmission electron microscopy confirmed the attachment of QDs onto the external surfaces of the DWNTs. We herein demonstrate a meaningful and unique combination of near-edge X-ray absorption fine structure (NEXAFS) and Raman spectroscopies bolstered by complementary electricalmore » transport measurements in order to elucidate the synergistic interactions between CdSe QDs and DWNTs, which are facilitated by the bridging MTH molecules that can scavenge photoinduced holes and potentially mediate electron redistribution between the conduction bands in CdSe QDs and the C 2p-derived states of the DWNTs. Specifically, we correlated evidence of charge transfer as manifested by (i) changes in the NEXAFS intensities of π* resonance in the C K-edge and Cd M3-edge spectra, (ii) a perceptible outer tube G-band downshift in frequency in Raman spectra, as well as (iii) alterations in the threshold characteristics present in transport data as a function of CdSe QD deposition onto the DWNT surface. Furthermore, the separate effects of (i) varying QD sizes and (ii) QD coverage densities on the electron transfer were independently studied.« less

Gamma-ray emission and electron acceleration in solar flares

NASA Technical Reports Server (NTRS)

Petrosian, Vahe; Mctiernan, James M.; Marschhauser, Holger

1994-01-01

Recent observations have extended the spectra of the impulsive phase of flares to the GeV range. Such high-energy photons can be produced either by electron bremsstrahlung or by decay of pions produced by accelerated protons. In this paper we investigate the effects of processes which become important at high energies. We examine the effects of synchrotron losses during the transport of electrons as they travel from the acceleration region in the corona to the gamma-ray emission sites deep in the chromosphere and photosphere, and the effects of scattering and absorption of gamma rays on their way from the photosphere to space instruments. These results are compared with the spectra from so-called electron-dominated flares, observed by GRS on the Solar Maximum Mission, which show negligible or no detectable contribution from accelerated protons. The spectra of these flares show a distinct steepening at energies below 100 keV and a rapid falloff at energies above 50 MeV. Following our earlier results based on lower energy gamma-ray flare emission we have modeled these spectra. We show that neither the radiative transfer effects, which are expected to become important at higher energies, nor the transport effects (Coulomb collisions, synchrotron losses, or magnetic field convergence) can explain such sharp spectral deviations from a simple power law. These spectral deviations from a power law are therefore attributed to the acceleration process. In a stochastic acceleration model the low-energy steepening can be attributed to Coulomb collision and the rapid high-energy steepening can result from synchrotron losses during the acceleration process.

Temperature dependence of the Urbach optical absorption edge: A theory of multiple phonon absorption and emission sidebands

NASA Astrophysics Data System (ADS)

Grein, C. H.; John, Sajeev

1989-01-01

The optical absorption coefficient for subgap electronic transitions in crystalline and disordered semiconductors is calculated by first-principles means with use of a variational principle based on the Feynman path-integral representation of the transition amplitude. This incorporates the synergetic interplay of static disorder and the nonadiabatic quantum dynamics of the coupled electron-phonon system. Over photon-energy ranges of experimental interest, this method predicts accurate linear exponential Urbach behavior of the absorption coefficient. At finite temperatures the nonlinear electron-phonon interaction gives rise to multiple phonon emission and absorption sidebands which accompany the optically induced electronic transition. These sidebands dominate the absorption in the Urbach regime and account for the temperature dependence of the Urbach slope and energy gap. The physical picture which emerges is that the phonons absorbed from the heat bath are then reemitted into a dynamical polaronlike potential well which localizes the electron. At zero temperature we recover the usual polaron theory. At high temperatures the calculated tail is qualitatively similar to that of a static Gaussian random potential. This leads to a linear relationship between the Urbach slope and the downshift of the extrapolated continuum band edge as well as a temperature-independent Urbach focus. At very low temperatures, deviations from these rules are predicted arising from the true quantum dynamics of the lattice. Excellent agreement is found with experimental data on c-Si, a-Si:H, a-As2Se3, and a-As2S3. Results are compared with a simple physical argument based on the most-probable-potential-well method.

Compton scattering of self-absorbed synchrotron emission

NASA Astrophysics Data System (ADS)

Gao, He; Lei, Wei-Hua; Wu, Xue-Feng; Zhang, Bing

2013-11-01

Synchrotron self-Compton (SSC) scattering is an important emission mechanism in many astronomical sources, such as gamma-ray bursts (GRBs) and active galactic nuclei. We give a complete presentation of the analytical approximations for the Compton scattering of synchrotron emission with both weak and strong synchrotron self-absorption. All possible orders of the characteristic synchrotron spectral breaks (νa, νm and νc) are studied. In the weak self-absorption regime, i.e. νa < νc, the electron energy distribution is not modified by the self-absorption process. The shape of the SSC component broadly resembles that of synchrotron, but with the following features: The SSC flux increases linearly with frequency up to the SSC break frequency corresponding to the self-absorption frequency νa; and the presence of a logarithmic term in the high-frequency range of the SSC spectra makes it harder than the power-law approximation. In the strong absorption regime, i.e. νa > νc, heating of low-energy electrons due to synchrotron absorption leads to pile-up of electrons, and form a thermal component besides the broken power-law component. This leads to two-component (thermal + non-thermal) spectra for both the synchrotron and SSC spectral components. For νc < νa < νm, the spectrum is thermal (non-thermal) dominated if ν _a > √{ν _m ν _c} (ν _a < √{ν _m ν _c}). Similar to the weak-absorption regime, the SSC spectral component is broader than the simple broken power-law approximation. We derive the critical condition for strong absorption (electron pile-up), and discuss a case of GRB reverse shock emission in a wind medium, which invokes νa > max(νm, νc).

First-principles investigation on the mechanism of photocatalytic properties for cubic and orthorhombic KNbO3

NASA Astrophysics Data System (ADS)

Xu, Yong-Qiang; Wu, Shao-Yi; Ding, Chang-Chun; Wu, Li-Na; Zhang, Gao-Jun

2018-03-01

The geometric structures, band structures, density of states and optical absorption spectra are studied for cubic and orthorhombic KNbO3 (C- and O-KNO) crystals by using first-principles calculations. Based on the above calculation results, the mechanisms of photocatalytic properties for both crystals are further theoretically investigated to deepen the understandings of their photocatalytic activity from the electronic level. Calculations for the effective masses of electron and hole are carried out to make comparison in photocatalytic performance between cubic and orthorhombic phases. Optical absorption in cubic phase is found to be stronger than that in orthorhombic phase. C-KNO has smaller electron effective mass, higher mobility of photogenerated electrons, lower electron-hole recombination rate and better light absorption capacity than O-KNO. So, the photocatalytic activity of cubic phase can be higher than orthorhombic one. The present work may be beneficial to explore the series of perovskite photocatalysts.

Measurement of He neutral temperature in detached plasmas using laser absorption spectroscopy

NASA Astrophysics Data System (ADS)

Aramaki, M.; Tsujihara, T.; Kajita, S.; Tanaka, H.; Ohno, N.

2018-01-01

The reduction of the heat load onto plasma-facing components by plasma detachment is an inevitable scheme in future nuclear fusion reactors. Since the control of the plasma and neutral temperatures is a key issue to the detached plasma generation, we have developed a laser absorption spectroscopy system for the metastable helium temperature measurements and used together with a previously developed laser Thomson scattering system for the electron temperature and density measurements. The thermal relaxation process between the neutral and the electron in the detached plasma generated in the linear plasma device, NAGDIS-II was studied. It is shown that the electron temperature gets close to the neutral temperature by increasing the electron density. On the other hand, the pressure dependence of electron and neutral temperatures shows the cooling effect by the neutrals. The possibility of the plasma fluctuation measurement using the fluctuation in the absorption signal is also shown.

An organoboron compound with a wide absorption spectrum for solar cell applications.

PubMed

Liu, Fangbin; Ding, Zicheng; Liu, Jun; Wang, Lixiang

2017-11-09

Organoboron compounds offer new approaches to tune the electronic structures of π-conjugated molecules. In this work, an electron acceptor (M-BNBP4P-1) is developed by endcapping an organoboron core unit with two strong electron-withdrawing groups. M-BNBP4P-1 exhibits a unique wide absorption spectrum with two strong absorption bands in the long wavelength region (λ max = 771 nm) and the short wavelength region (λ max = 502 nm), which indicate superior sunlight harvesting capability. This is due to its special electronic structure, i.e. a delocalized LUMO and a localized HOMO. Prototype solution-processed organic solar cells based on M-BNBP4P-1 show a power conversion efficiency of 7.06% and a wide photoresponse from 350 nm to 880 nm.

Stereo and scanning electron microscopy of in-shell Brazil nut (Bertholletia excelsa H.B.K.): part two-surface sound nut fungi spoilage susceptibility.

PubMed

Scussel, Vildes M; Manfio, Daniel; Savi, Geovana D; Moecke, Elisa H S

2014-11-01

This work reports the in-shell Brazil nut spoilage susceptible morpho-histological characteristics and fungi infection (shell, edible part, and brown skin) through stereo and scanning electron microscopies (SEM). The following characteristics related to shell (a) morphology-that allow fungi and insects' entrance to inner nut, and (b) histology-that allow humidity absorption, improving environment conditions for living organisms development, were identified. (a.1) locule in testae-the nut navel, which is a cavity formed during nut detaching from pods (located at 1.0 to 2.0/4th of the shell B&C nut faces linkage). It allows the nut brown skin (between shell and edible part) first contact to the external environment, through the (a.2) nut channel-the locule prolongation path, which has the water/nutrients cambium function for their transport and distribution to the inner seed (while still on the tree/pod). Both, locule followed by the channel, are the main natural entrance of living organisms (fungi and insects), including moisture to the inner seed structures. In addition, the (a.3) nut shell surface-which has a crinkled and uneven surface morphology-allows water absorption, thus adding to the deterioration processes too. The main shell histological characteristic, which also allows water absorption (thus improving environment conditions for fungi proliferation), is the (b.1) cell wall porosity-the multilayered wall and porous rich cells that compose the shell faces double tissue layers and the (b.2) soft tissue-the mix of tissues 2 faces corner/linkage. This work also shows in details the SEM nut spoilage susceptible features highly fungi infected with hyphae and reproductive structures distribution. © 2014 Institute of Food Technologists®

Simulation of deleterious processes in a static-cell diode pumped alkali laser

NASA Astrophysics Data System (ADS)

Oliker, Benjamin Q.; Haiducek, John D.; Hostutler, David A.; Pitz, Greg A.; Rudolph, Wolfgang; Madden, Timothy J.

2014-02-01

The complex interactions in a diode pumped alkali laser (DPAL) gain cell provide opportunities for multiple deleterious processes to occur. Effects that may be attributable to deleterious processes have been observed experimentally in a cesium static-cell DPAL at the United States Air Force Academy [B.V. Zhdanov, J. Sell, R.J. Knize, "Multiple laser diode array pumped Cs laser with 48 W output power," Electronics Letters, 44, 9 (2008)]. The power output in the experiment was seen to go through a "roll-over"; the maximum power output was obtained with about 70 W of pump power, then power output decreased as the pump power was increased beyond this point. Research to determine the deleterious processes that caused this result has been done at the Air Force Research Laboratory utilizing physically detailed simulation. The simulations utilized coupled computational fluid dynamics (CFD) and optics solvers, which were three-dimensional and time-dependent. The CFD code used a cell-centered, conservative, finite-volume discretization of the integral form of the Navier-Stokes equations. It included thermal energy transport and mass conservation, which accounted for chemical reactions and state kinetics. Optical models included pumping, lasing, and fluorescence. The deleterious effects investigated were: alkali number density decrease in high temperature regions, convective flow, pressure broadening and shifting of the absorption lineshape including hyperfine structure, radiative decay, quenching, energy pooling, off-resonant absorption, Penning ionization, photoionization, radiative recombination, three-body recombination due to free electron and buffer gas collisions, ambipolar diffusion, thermal aberration, dissociative recombination, multi-photon ionization, alkali-hydrocarbon reactions, and electron impact ionization.

Spatial nonlinear absorption of Alfven waves by dissipative plasma taking account bremsstrahlung

NASA Astrophysics Data System (ADS)

Taiurskii, A. A.; Gavrikov, M. B.

2016-10-01

We study numerically the nonlinear absorption of a plane Alfven wave falling on the stationary boundary of dissipative plasma. This absorption is caused by such factors as the magnetic viscosity, hydrodynamic viscosity, and thermal conductivity of electrons and ions, bremsstrahlung and energy exchange between plasma components. The relevance of this investigation is due to some works, published in 2011, with regard to the heating mechanism of the solar corona and solar wind generation as a result of the absorption of plasma Alfven waves generated in the lower significantly colder layers of the Sun. Numerical analysis shows that the absorption of Alfven waves occurs at wavelengths of the order of skin depth, in which case the classical MHD equations are inapplicable. Therefore, our research is based on equations of two-fluid magnetohydrodynamics that take into account the inertia of the electrons. The implicit difference scheme proposed here for calculating plane-parallel flows of two-fluid plasma reveals a number of important patterns of absorption and thus allows us to study the dependence of the absorption on the Alfven wave frequency and the electron thermal conductivity and viscosity, as well as to evaluate the depth and the velocity of plasma heating during the penetration of Alfven waves interacting with dissipative plasma.

Measurement of Effective Drift Velocities of Electrons and Holes in Shallow Multiple Quantum Well P-I Modulators

NASA Astrophysics Data System (ADS)

Yang, Ching-Mei

1995-01-01

P-i-n diodes containing multiple quantum wells (MQWs) in the i-region are the building blocks for photonic devices. When we apply electric field across these devices and illuminate it with light, photo-carriers are created in the i-region. These carriers escape from the wells and drift toward the electrodes; thus photo-voltage is created. The rise- and decay-times of photo-voltages are related to the transport of carriers. In this dissertation, we present theoretical and experimental studies on carrier transport mechanisms of three shallow MQW GaAs/Al _{x}Ga_{1-x}As p-i-n diodes (x = 0.02, 0.04, 0.08) at various bias voltages. We start with the description of the sample structures and their package. We then present the characteristics of these samples including their transmission spectra and responsivity. We will demonstrate that the over-all high quality of these samples, including a strong exciton resonant absorption, ~100% internal quantum efficiencies and completely depleted i-region at bias between +0.75 V to -5 V bias. In our theoretical studies, we first discuss the possible carrier sweep-out mechanisms and estimate the response times associated with these mechanisms. Based on our theoretical model, we conclude that only the drift times of carriers and enhanced diffusion times are important for shallow MQW p-i-n diodes: at high bias, the fast drift times of electrons and holes control the rise-times; at low bias, the slow drift times of holes and the enhanced diffusion times control the decay-times. We have performed picosecond time-resolved pump/probe electro-absorption measurements on these samples. We then obtained the drift times, effective drift velocities and effective mobilities of electrons and holes for these devices. We find that the carrier effective drift velocities (especially for holes) seemed insensitive to the Al concentration in the barriers (in the range of x = 2% to 8%), even though the x = 2% sample does show an overall faster response time. We think the slight difference of the rise- and decay-times of these devices may also be affected by random differences between the samples.

Incipient 2D Mott insulators in extreme high electron density, ultra-thin GdTiO3/SrTiO3/GdTiO3 quantum wells

NASA Astrophysics Data System (ADS)

Allen, S. James; Ouellette, Daniel G.; Moetakef, Pouya; Cain, Tyler; Chen, Ru; Balents, Leon; Stemmer, Susanne

2013-03-01

By reducing the number of SrO planes in a GdTiO3 /SrTiO3/ GdTiO3 quantum well heterostructure, an electron gas with ~ fixed 2D electron density can be driven close to the Mott metal insulator transition - a quantum critical point at ~1 electron per unit cell. A single interface between the Mott insulator GdTiO3 and band insulator SrTiO3 has been shown to introduce ~ 1/2 electron per interface unit cell. Two interfaces produce a quantum well with ~ 7 1014 cm-2 electrons: at the limit of a single SrO layer it may produce a 2D magnetic Mott insulator. We use temperature and frequency dependent (DC - 3eV) conductivity and temperature dependent magneto-transport to understand the relative importance of electron-electron interactions, electron-phonon interactions, and surface roughness scattering as the electron gas is compressed toward the quantum critical point. Terahertz time-domain and FTIR spectroscopies, measure the frequency dependent carrier mass and scattering rate, and the mid-IR polaron absorption as a function of quantum well thickness. At the extreme limit of a single SrO plane, we observe insulating behavior with an optical gap substantially less than that of the surrounding GdTiO3, suggesting a novel 2D Mott insulator. MURI program of the Army Research Office - Grant No. W911-NF-09-1-0398

Improvement of intestinal transport, absorption and anti-diabetic efficacy of berberine by using Gelucire44/14: In vitro, in situ and in vivo studies.

PubMed

Sun, Jianmei; Bao, He; Peng, Yajie; Zhang, Haimin; Sun, Ya; Qi, Jiajun; Zhang, Hailong; Gao, Yang

2018-06-10

This study aims to evaluate the effects of Gelucire44/14 on the in vitro transport, in situ intestinal absorption, as well as in vivo antidiabetic efficacy of berberine (BBR). In the in vitro study, Gelucire44/14 (0.1%, v/v) increased the absorptive transport of BBR across the intestinal membrane of a rat and reduced the relative transport in the secretory direction, thus demonstrating its potential inhibitory effect on intestinal P-glycoprotein (P-gp). In the in situ absorption study, Gelucire44/14 (0.1%, v/v) increased BBR absorption, and this enhancing effect was more significant in the ileum than in the colon of a rat. Oral delivery of BBR with Gelucire44/14 (0.1%, v/v) to diabetic mice, compared with the BBR group, induced a significant hypoglycemic effect on day 7 and day 12 after administration. This result was well correlated with the results of the in vitro study, indicating the important contribution of the P-gp inhibitory effect of Gelucire44/14 to the improvement of the antidiabetic efficacy in vivo. In addition, Gelucire44/14 (0.1%, v/v) neither increased the levels of protein and lactate dehydrogenase in intestinal perfusion nor changed the morphology of the rat intestinal epithelium relative to those of the negative control. This finding suggested that 0.1% (v/v) Gelucire44/14 caused no apparent membrane damage to rat intestine. In conclusion, Gelucire44/14 exhibited potential for enhancing the oral absorption of BBR, thereby improving the antidiabetic efficacy of BBR. Copyright © 2018 Elsevier B.V. All rights reserved.

Density functional theory studies on the structures and electronic communication of meso-ferrocenylporphyrins: long range orbital coupling via porphyrin core.

PubMed

Zhang, Lijuan; Qi, Dongdong; Zhang, Yuexing; Bian, Yongzhong; Jiang, Jianzhuang

2011-02-01

The molecular and electronic structures together with the electronic absorption spectra of a series of metal free meso-ferrocenylporphyrins, namely 5-ferrocenylporphyrin (1), 5,10-diferrocenylporphyrin (2), 5,15-diferrocenylporphyrin (3), 5,10,15-triferrocenylporphyrin (4), and 5,10,15,20-tetraferrocenylporphyrin (5) have been studied with the density functional theory (DFT) and time-dependent density functional theory (TD-DFT) methods. For the purpose of comparative studies, metal free porphyrin without any ferrocenyl group (0) and isolated ferrocene (6) were also calculated. The effects of the number and position of meso-attached ferrocenyl substituents on their molecular and electronic structures, atomic charges, molecular orbitals, and electronic absorption spectra of 1-5 were systematically investigated. The orbital coupling is investigated in detail, explaining well the long range coupling of ferrocenyl substituents connected via porphyrin core and the systematic change in the electronic absorption spectra of porphyrin compounds. Copyright © 2010 Elsevier Inc. All rights reserved.

Fast wave direct electron heating in advanced inductive and ITER baseline scenario discharges in DIII-D

DOE PAGES

Pinsker, R. I.; Austin, M. E.; Diem, S. J.; ...

2014-02-12

Fast Wave (FW) heating and electron cyclotron heating (ECH) are used in the DIII-D tokamak to study plasmas with low applied torque and dominant electron heating characteristic of burning plasmas. FW heating via direct electron damping has reached the 2.5 MW level in high performance ELMy H-mode plasmas. In Advanced Inductive (AI) plasmas, core FW heating was found to be comparable to that of ECH, consistent with the excellent first-pass absorption of FWs predicted by ray-tracing models at high electron beta. FW heating at the ~2 MW level to ELMy H-mode discharges in the ITER Baseline Scenario (IBS) showed unexpectedlymore » strong absorption of FW power by injected neutral beam (NB) ions, indicated by significant enhancement of the D-D neutron rate, while the intended absorption on core electrons appeared rather weak. As a result, the AI and IBS discharges are compared in an effort to identify the causes of the different response to FWs.« less

Fast wave direct electron heating in advanced inductive and ITER baseline scenario discharges in DIII-D

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pinsker, R. I.; Jackson, G. L.; Luce, T. C.

Fast Wave (FW) heating and electron cyclotron heating (ECH) are used in the DIII-D tokamak to study plasmas with low applied torque and dominant electron heating characteristic of burning plasmas. FW heating via direct electron damping has reached the 2.5 MW level in high performance ELMy H-mode plasmas. In Advanced Inductive (AI) plasmas, core FW heating was found to be comparable to that of ECH, consistent with the excellent first-pass absorption of FWs predicted by ray-tracing models at high electron beta. FW heating at the ∼2 MW level to ELMy H-mode discharges in the ITER Baseline Scenario (IBS) showed unexpectedlymore » strong absorption of FW power by injected neutral beam (NB) ions, indicated by significant enhancement of the D-D neutron rate, while the intended absorption on core electrons appeared rather weak. The AI and IBS discharges are compared in an effort to identify the causes of the different response to FWs.« less

Fast wave direct electron heating in advanced inductive and ITER baseline scenario discharges in DIII-D

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pinsker, R. I.; Austin, M. E.; Diem, S. J.

Fast Wave (FW) heating and electron cyclotron heating (ECH) are used in the DIII-D tokamak to study plasmas with low applied torque and dominant electron heating characteristic of burning plasmas. FW heating via direct electron damping has reached the 2.5 MW level in high performance ELMy H-mode plasmas. In Advanced Inductive (AI) plasmas, core FW heating was found to be comparable to that of ECH, consistent with the excellent first-pass absorption of FWs predicted by ray-tracing models at high electron beta. FW heating at the ~2 MW level to ELMy H-mode discharges in the ITER Baseline Scenario (IBS) showed unexpectedlymore » strong absorption of FW power by injected neutral beam (NB) ions, indicated by significant enhancement of the D-D neutron rate, while the intended absorption on core electrons appeared rather weak. As a result, the AI and IBS discharges are compared in an effort to identify the causes of the different response to FWs.« less

The Colour of the Noble Metals.

ERIC Educational Resources Information Center

Poole, R. T.

1983-01-01

Examines the physical basis for colors of noble metals (copper, silver, gold) developed from energy conservation/quantum mechanical view of free electron photoabsorption. Describes production of absorption edges produced by change in density of occupied valence electron states in the d-band, which allows stronger absorption in the visible photon…

DOE Office of Scientific and Technical Information (OSTI.GOV)

Friedrich, M.; Baker, K.D.; Brekke, A.

Electron density profiles from ground-based and rocket-borne measurements conducted at three sites in northern Scandinavia under various degrees of geophysical disturbances are presented. These data are checked against an instantaneous picture of the ionospheric absorption obtained via the dense riometer network. A map of the riometer absorption and measured electron densities over Scandinavia is given.

UV-Assisted Photochemical Synthesis of Reduced Graphene Oxide/ZnO Nanowires Composite for Photoresponse Enhancement in UV Photodetectors

PubMed Central

Zhou, Peng; Wang, Na; Ma, Yang

2018-01-01

The weak photon absorption and high recombination rate of electron-hole pairs in disordered zinc oxide nanowires (ZNWs) limit its application in UV photodetection. This limitation can be overcome by introducing graphene sheets to the ZNWs. Herein we report a high-performance photodetector based on one-dimensional (1D) wide band-gap semiconductor disordered ZNWs composited with reduced graphene oxide (RGO) for ultraviolet (UV) photoresponse enhancement. The RGO/ZNWs composites have been successfully synthetized through UV-assisted photochemical reduction of GO in ZNWs suspension. The material characterizations in morphology, Raman scattering, and Ultraviolet-visible light absorption verified the formation of graphene sheets attached in ZNWs network and the enhancement of UV absorption due to the introduction of graphene. In comparison with photodetectors based on pure ZNWs, the photodetectors based on RGO/ZNWs composite exhibit enhanced photoresponse with photocurrent density of 5.87 mA·cm−2, on/off current ratio of 3.01 × 104, and responsivity of 1.83 A·W−1 when a UV irradiation of 3.26 mW·cm−2 and 1.0 V bias were used. Theory analysis is also presented to get insight into the inherent mechanisms of separation and transportation of photo-excited carriers in RGO/ZNWs composite. PMID:29303994

UV-Assisted Photochemical Synthesis of Reduced Graphene Oxide/ZnO Nanowires Composite for Photoresponse Enhancement in UV Photodetectors.

PubMed

Chen, Changsong; Zhou, Peng; Wang, Na; Ma, Yang; San, Haisheng

2018-01-05

The weak photon absorption and high recombination rate of electron-hole pairs in disordered zinc oxide nanowires (ZNWs) limit its application in UV photodetection. This limitation can be overcome by introducing graphene sheets to the ZNWs. Herein we report a high-performance photodetector based on one-dimensional (1D) wide band-gap semiconductor disordered ZNWs composited with reduced graphene oxide (RGO) for ultraviolet (UV) photoresponse enhancement. The RGO/ZNWs composites have been successfully synthetized through UV-assisted photochemical reduction of GO in ZNWs suspension. The material characterizations in morphology, Raman scattering, and Ultraviolet-visible light absorption verified the formation of graphene sheets attached in ZNWs network and the enhancement of UV absorption due to the introduction of graphene. In comparison with photodetectors based on pure ZNWs, the photodetectors based on RGO/ZNWs composite exhibit enhanced photoresponse with photocurrent density of 5.87 mA·cm -2 , on/off current ratio of 3.01 × 10⁴, and responsivity of 1.83 A·W -1 when a UV irradiation of 3.26 mW·cm -2 and 1.0 V bias were used. Theory analysis is also presented to get insight into the inherent mechanisms of separation and transportation of photo-excited carriers in RGO/ZNWs composite.

Growth of Well-Aligned ZnO Nanorod Arrays and Their Application for Photovoltaic Devices

NASA Astrophysics Data System (ADS)

Yuan, Zhaolin; Yao, Juncai

2017-11-01

We have fabricated well-aligned ZnO nanorod arrays (ZNRAs) on indium tin oxide-coated glass substrates by a facile chemical bath deposition method. We used field-emission scanning electron microscope, x-ray diffraction and UV-Vis absorption spectroscopy to study the morphology, crystalline structure and optical absorption of the fabricated ZNRAs, respectively. The results showed that ZnO nanorods stood almost perpendicularly on the substrate, were about 30-50 nm in diameter and 800-900 nm in length, and were wurtzite-structured (hexagonal) ZnO. In addition, well-aligned ZNRAs exhibited a weak absorption in the visible region and had an optical band gap value of 3.28 eV. Furthermore, a hybrid ZNRAs/polymer photovoltaic device was made, under 1 sun AM 1.5 illumination (light intensity, ˜100 mW/cm2), and the device showed an open circuit voltage ( V oc) of 0.32 V, a short circuit current density ( J sc) of 7.67 mA/cm2, and a fill factor ( FF) of 0.37, yielding an overall power conversion efficiency of 0.91%. Also, the exciton dissociation and transportation processes of charge carriers in the device under illumination were explained according to its current density-voltage ( J- V) curve and the energy level diagram.

Spectroscopic views of high-Tc superconductors

NASA Astrophysics Data System (ADS)

Wendin, Göran

1989-01-01

Recent progress in the fields of photoelectron spectroscopy, electron energy loss spectroscopy, inverse photoemission, and infrared- and optical reflectivity applied to high-Tc superconductors is analyzed in terms of correlation effects, transport properties and Fermi liquid behaviour. For the CuO2 based materials, a picture emerges of localized holes in copper 3d levels and itinerant holes in oxygen 2p-like bands. A Fermi liquid picture and a superconducting gap is indicated by angle-resolved photo-emission, infrared absorption, and NMR. A Fermi surface is indicated by positron annihilation. Infrared absorption reveals strongly frequency and temperature dependent scattering and polaronic behaviour for frequencies below 0.1 eV. Infrared absorption indicates a maximum superconducting gap of 2Δ/kBTc = 8 and suggests that ordinary samples may show a range of gaps 2 < 2Δ/kBTc < 8 resulting in commonly measured average values of 2Δ/kBTc = 5. An interesting possibility in YBaCuO, suggested by infrared reflectivity and photoconductivity measurements, is that polarons in the CuO2 planes with 0.13 eV excitation energy mediate an attractive interaction between quasi-holes in O 2p-derived conduction bands. The polarons will involve important lattice distortions even if, as is frequently assumed, magnetic polaron effects may be the essential thing.

Effect of secondary electron generation on dose enhancement in Lipiodol with and without a flattening filter.

PubMed

Kawahara, Daisuke; Ozawa, Shuichi; Saito, Akito; Kimura, Tomoki; Suzuki, Tatsuhiko; Tsuneda, Masato; Tanaka, Sodai; Nakashima, Takeo; Ohno, Yoshimi; Murakami, Yuji; Nagata, Yasushi

2018-03-01

Lipiodol, which was used in transcatheter arterial chemoembolization before liver stereotactic body radiation therapy (SBRT), remains in SBRT. Previous we reported the dose enhancement in Lipiodol using 10 MV (10×) FFF beam. In this study, we compared the dose enhancement in Lipiodol and evaluated the probability of electron generation (PEG) for the dose enhancement using flattening filter (FF) and flattening filter free (FFF) beams. FF and FFF for 6 MV (6×) and 10× beams were delivered by TrueBeam. The dose enhancement factor (DEF), energy spectrum, and PEG was calculated using Monte Carlo (MC) code BEAMnrc and heavy ion transport code system (PHITS). DEFs for FF and FFF 6× beams were 7.0% and 17.0% at the center of Lipiodol (depth, 6.5 cm). DEFs for FF and FFF 10× beams were 8.2% and 10.5% at the center of Lipiodol. Spectral analysis revealed that the FFF beams contained more low-energy (0-0.3 MeV) electrons than the FF beams, and the FF beams contained more high-energy (>0.3 MeV) electrons than the FFF beams in Lipiodol. The difference between FFF and FF beam DEFs was larger for 6× than for 10×. This occurred because the 10× beams contained more high-energy electrons. The PEGs for photoelectric absorption and Compton scattering for the FFF beams were higher than those for the FF beams. The PEG for the photoelectric absorption was higher than that for Compton scattering. FFF beam contained more low-energy photons and it contributed to the dose enhancement. Energy spectra and PEGs are useful for analyzing the mechanisms of dose enhancement. © 2018 The Authors. Journal of Applied Clinical Medical Physics published by Wiley Periodicals, Inc. on behalf of American Association of Physicists in Medicine.

Does apical membrane GLUT2 have a role in intestinal glucose uptake?

PubMed

Naftalin, Richard J

2014-01-01

It has been proposed that the non-saturable component of intestinal glucose absorption, apparent following prolonged exposure to high intraluminal glucose concentrations, is mediated via the low affinity glucose and fructose transporter, GLUT2, upregulated within the small intestinal apical border. The evidence that the non-saturable transport component is mediated via an apical membrane sugar transporter is that it is inhibited by phloretin, after exposure to phloridzin. Since the other apical membrane sugar transporter, GLUT5, is insensitive to inhibition by either cytochalasin B, or phloretin, GLUT2 was deduced to be the low affinity sugar transport route. As in its uninhibited state, polarized intestinal glucose absorption depends both on coupled entry of glucose and sodium across the brush border membrane and on the enterocyte cytosolic glucose concentration exceeding that in both luminal and submucosal interstitial fluids, upregulation of GLUT2 within the intestinal brush border will usually stimulate downhill glucose reflux to the intestinal lumen from the enterocytes; thereby reducing, rather than enhancing net glucose absorption across the luminal surface. These states are simulated with a computer model generating solutions to the differential equations for glucose, Na and water flows between luminal, cell, interstitial and capillary compartments. The model demonstrates that uphill glucose transport via SGLT1 into enterocytes, when short-circuited by any passive glucose carrier in the apical membrane, such as GLUT2, will reduce transcellular glucose absorption and thereby lead to increased paracellular flow. The model also illustrates that apical GLUT2 may usefully act as an osmoregulator to prevent excessive enterocyte volume change with altered luminal glucose concentrations.

Does apical membrane GLUT2 have a role in intestinal glucose uptake?

PubMed Central

Naftalin, Richard J

2014-01-01

It has been proposed that the non-saturable component of intestinal glucose absorption, apparent following prolonged exposure to high intraluminal glucose concentrations, is mediated via the low affinity glucose and fructose transporter, GLUT2, upregulated within the small intestinal apical border. The evidence that the non-saturable transport component is mediated via an apical membrane sugar transporter is that it is inhibited by phloretin, after exposure to phloridzin. Since the other apical membrane sugar transporter, GLUT5, is insensitive to inhibition by either cytochalasin B, or phloretin, GLUT2 was deduced to be the low affinity sugar transport route. As in its uninhibited state, polarized intestinal glucose absorption depends both on coupled entry of glucose and sodium across the brush border membrane and on the enterocyte cytosolic glucose concentration exceeding that in both luminal and submucosal interstitial fluids, upregulation of GLUT2 within the intestinal brush border will usually stimulate downhill glucose reflux to the intestinal lumen from the enterocytes; thereby reducing, rather than enhancing net glucose absorption across the luminal surface. These states are simulated with a computer model generating solutions to the differential equations for glucose, Na and water flows between luminal, cell, interstitial and capillary compartments. The model demonstrates that uphill glucose transport via SGLT1 into enterocytes, when short-circuited by any passive glucose carrier in the apical membrane, such as GLUT2, will reduce transcellular glucose absorption and thereby lead to increased paracellular flow. The model also illustrates that apical GLUT2 may usefully act as an osmoregulator to prevent excessive enterocyte volume change with altered luminal glucose concentrations. PMID:25671087

p-Aminohippurate transport in airways: competitive inhibition.

PubMed

Cloutier, M M; Guernsey, L

1992-05-01

p-Aminohippurate (PAH) transport in canine tracheal epithelium occurs by a HCO3- -PAH exchange process that is located on the luminal membrane and is inhibited by stilbene derivatives. The effects of increasing concentrations of other organic anions, including probenecid (10-250 microM), dibutyryl adenosine 3',5'-cyclic monophosphate (cAMP; 10-1,000 microM), phenol red (10-250 microM), and urate (25-500 microM), and the organic cation tetraethylammonium bromide (TEA; 250 microM) on PAH transport were examined in canine tracheal epithelium mounted in Ussing chambers. Neither phenol red, urate, nor TEA had any effect on electrophysiological properties or unidirectional or net PAH fluxes. In contrast, beginning at 10 microM, both probenecid and cAMP produced significant decreases in unidirectional and net PAH absorption without change in unidirectional PAH secretion. The initial change in net PAH absorption occurred in the absence of any change in electrophysiological properties. Higher concentrations of both probenecid and cAMP produced further decreases in net PAH absorption and significant changes in electrophysiological properties. Probenecid and cAMP increased the apparent Michaelis constant for PAH absorption without affecting maximum transport rate. The inhibitory constant for probenecid was 1.01 +/- 0.06 x 10(-4) M (mean +/- SE) and for cAMP was 5.18 +/- 0.20 x 10(-4) M. We conclude that PAH transport in canine tracheal epithelium demonstrates competitive inhibition by other organic anions and substrate specificity. We also conclude that the affinity of the exchange transport system is higher for probenecid than for PAH and cAMP.

Chemical Ni-C Bonding in Ni-Carbon Nanotube Composite by a Microwave Welding Method and Its Induced High-Frequency Radar Frequency Electromagnetic Wave Absorption.

PubMed

Sha, Linna; Gao, Peng; Wu, Tingting; Chen, Yujin

2017-11-22

In this work, a microwave welding method has been used for the construction of chemical Ni-C bonding at the interface between carbon nanotubes (CNTs) and metal Ni to provide a different surface electron distribution, which determined the electromagnetic (EM) wave absorption properties based on a surface plasmon resonance mechanism. Through a serial of detailed examinations, such as X-ray diffraction, scanning electron microscopy, transmission electron microscopy, high-resolution transmission electron microscopy, X-ray photoelectron spectroscopy, and Raman spectrum, the as-expected chemical Ni-C bonding between CNTs and metal Ni has been confirmed. And the Brunauer-Emmett-Teller and surface zeta potential measurements uncovered the great evolution of structure and electronic density compared with CNTs, metal Ni, and Ni-CNT composite without Ni-C bonding. Correspondingly, except the EM absorption due to CNTs and metal Ni in the composite, another wide and strong EM absorption band ranging from 10 to 18 GHz was found, which was induced by the Ni-C bonded interface. With a thinner thickness and more exposed Ni-C interfaces, the Ni-CNT composite displayed less reflection loss.

Intestinal Transport of Aminopterin Enantiomers in Dogs and Humans with Psoriasis Is Stereoselective: Evidence for a Mechanism Involving the Proton-Coupled Folate Transporter

PubMed Central

Menter, Alan; Thrash, Breck; Cherian, Christina; Matherly, Larry H.; Wang, Lei; Gangjee, Aleem; Morgan, Joel R.; Maeda, Dean Y.; Schuler, Aaron D.; Zebala, John A.

2012-01-01

N-[4-[[(2,4-diamino-6-pterdinyl)methyl]amino]benzoyl]-l/d-glutamic acid (l/d-AMT) is an investigational drug in phase 1 clinical development that consists of the l-and d-enantiomers of aminopterin (AMT). l/d-AMT is obtained from a novel process for making the l-enantiomer (l-AMT), a potent oral anti-inflammatory agent. The purpose of these studies was to characterize oral uptake and safety in the dog and human of each enantiomer alone and in combination and provide in vitro evidence for a mechanism of intestinal absorption. This is the first report of l /d-AMT in humans. In dogs (n = 40) orally dosed with l-AMT or d-AMT absorption was stereoselective for the l-enantiomer (6- to 12-fold larger peak plasma concentration after oral administration and area under the plasma concentration-time curve at 0–4 h; p < 0.001). d-AMT was not toxic at the maximal dose tested (82.5 mg/kg), which was 100-fold larger than the maximal nonlethal l-AMT dose (0.8 mg/kg). Dogs (n = 10) and humans with psoriasis (n = 21) orally administered l-AMT and l /d-AMT at the same l-enantiomer dose resulted in stereoselective absorption (absent d-enantiomer in plasma), bioequivalent l-enantiomer pharmacokinetics, and equivalent safety. Thus, the d-enantiomer in l/d-AMT did not perturb l-enantiomer absorption or alter the safety of l-AMT. In vitro uptake by the human proton-coupled folate transporter (PCFT) demonstrated minimal transport of d-AMT compared with l-AMT, mirroring the in vivo findings. Enantiomer selectivity by PCFT was attributable almost entirely to decreased binding affinity rather than changes in transport rate. Collectively, our results demonstrate a strong in vitro-in vivo correlation implicating stereoselective transport by PCFT as the mechanism underlying stereoselective absorption observed in vivo. PMID:22653877

Active intestinal absorption of fluoroquinolone antibacterial agent ciprofloxacin by organic anion transporting polypeptide, Oatp1a5.

PubMed

Arakawa, Hiroshi; Shirasaka, Yoshiyuki; Haga, Makoto; Nakanishi, Takeo; Tamai, Ikumi

2012-09-01

Fluoroquinolone antimicrobial drugs are absorbed efficiently after oral administration despite of their hydrophilic nature, implying an involvement of carrier-mediated transport in their membrane transport process. It has been that several fluoroquinolones are substrates of organic anion transporter polypeptides OATP1A2 expressed in human intestine derived Caco-2 cells. In the present study, to clarify the involvement of OATP in intestinal absorption of ciprofloxacin, the contribution of Oatp1a5, which is expressed at the apical membranes of rat enterocytes, to intestinal absorption of ciprofloxacin was investigated in rats. The intestinal membrane permeability of ciprofloxacin was measured by in situ and the vascular perfused closed loop methods. The disappeared and absorbed amount of ciprofloxacin from the intestinal lumen were increased markedly in the presence of 7,8-benzoflavone, a breast cancer resistance protein inhibitor, and ivermectin, a P-glycoprotein inhibitor, while it was decreased significantly in the presence of these inhibitors in combination with naringin, an Oatp1a5 inhibitor. Furthermore, the Oatp1a5-mediated uptake of ciprofloxacin was saturable with a K(m) value of 140 µm, and naringin inhibited the uptake with an IC(50) value of 18 µm by Xenopus oocytes expressing Oatp1a5. Naringin reduced the permeation of ciprofloxacin from the mucosal-to-serosal side, with an IC(50) value of 7.5 µm by the Ussing-type chamber method. The estimated IC(50) values were comparable to that of Oatp1a5. These data suggest that Oatp1a5 is partially responsible for the intestinal absorption of ciprofloxacin. In conclusion, the intestinal absorption of ciprofloxacin could be affected by influx transporters such as Oatp1a5 as well as the efflux transporters such as P-gp and Bcrp. Copyright © 2012 John Wiley & Sons, Ltd.

Protein Restriction with Amino Acid-Balanced Diets Shrinks Circulating Pool Size of Amino Acid by Decreasing Expression of Specific Transporters in the Small Intestine

PubMed Central

Luo, Min; Zhang, Xin; Sun, Wen Juan; Jiao, Ning; Li, De Fa; Yin, Jing Dong

2016-01-01

Dietary protein restriction is not only beneficial to health and longevity in humans, but also protects against air pollution and minimizes feeding cost in livestock production. However, its impact on amino acid (AA) absorption and metabolism is not quite understood. Therefore, the study aimed to explore the effect of protein restriction on nitrogen balance, circulating AA pool size, and AA absorption using a pig model. In Exp.1, 72 gilts weighting 29.9 ± 1.5 kg were allocated to 1 of the 3 diets containing 14, 16, or 18% CP for a 28-d trial. Growth (n = 24), nitrogen balance (n = 6), and the expression of small intestinal AA and peptide transporters (n = 6) were evaluated. In Exp.2, 12 barrows weighting 22.7 ± 1.3 kg were surgically fitted with catheters in the portal and jejunal veins as well as the carotid artery and assigned to a diet containing 14 or 18% CP. A series of blood samples were collected before and after feeding for determining the pool size of circulating AA and AA absorption in the portal vein, respectively. Protein restriction did not sacrifice body weight gain and protein retention, since nitrogen digestibility was increased as dietary protein content reduced. However, the pool size of circulating AA except for lysine and threonine, and most AA flux through the portal vein were reduced in pigs fed the low protein diet. Meanwhile, the expression of peptide transporter 1 (PepT-1) was stimulated, but the expression of the neutral and cationic AA transporter systems was depressed. These results evidenced that protein restriction with essential AA-balanced diets, decreased AA absorption and reduced circulating AA pool size. Increased expression of small intestinal peptide transporter PepT-1 could not compensate for the depressed expression of jejunal AA transporters for AA absorption. PMID:27611307

Intestinal transport of aminopterin enantiomers in dogs and humans with psoriasis is stereoselective: evidence for a mechanism involving the proton-coupled folate transporter.

PubMed

Menter, Alan; Thrash, Breck; Cherian, Christina; Matherly, Larry H; Wang, Lei; Gangjee, Aleem; Morgan, Joel R; Maeda, Dean Y; Schuler, Aaron D; Kahn, Stuart J; Zebala, John A

2012-09-01

N-[4-[[(2,4-diamino-6-pterdinyl)methyl]amino]benzoyl]-L/D-glutamic acid (L/D-AMT) is an investigational drug in phase 1 clinical development that consists of the L-and D-enantiomers of aminopterin (AMT). L/D-AMT is obtained from a novel process for making the L-enantiomer (L-AMT), a potent oral antiinflammatory agent. The purpose of these studies was to characterize oral uptake and safety in the dog and human of each enantiomer alone and in combination and provide in vitro evidence for a mechanism of intestinal absorption. This is the first report of L /D-AMT in humans. In dogs (n = 40) orally dosed with L-AMT or D-AMT absorption was stereoselective for the L-enantiomer (6- to 12-fold larger peak plasma concentration after oral administration and area under the plasma concentration-time curve at 0-4 h; p < 0.001). D-AMT was not toxic at the maximal dose tested (82.5 mg/kg), which was 100-fold larger than the maximal nonlethal L-AMT dose (0.8 mg/kg). Dogs (n = 10) and humans with psoriasis (n = 21) orally administered L-AMT and L /D-AMT at the same L-enantiomer dose resulted in stereoselective absorption (absent D-enantiomer in plasma), bioequivalent L-enantiomer pharmacokinetics, and equivalent safety. Thus, the D-enantiomer in L/D-AMT did not perturb L-enantiomer absorption or alter the safety of L-AMT. In vitro uptake by the human proton-coupled folate transporter (PCFT) demonstrated minimal transport of D-AMT compared with L-AMT, mirroring the in vivo findings. Enantiomer selectivity by PCFT was attributable almost entirely to decreased binding affinity rather than changes in transport rate. Collectively, our results demonstrate a strong in vitro-in vivo correlation implicating stereoselective transport by PCFT as the mechanism underlying stereoselective absorption observed in vivo.

Transepithelial transport of rosuvastatin and effect of ursolic acid on its transport in Caco-2 monolayers.

PubMed

Hua, Wen Jin; Fang, Hu Jin; Hua, Wei Xiao

2012-09-01

The aim of this study was to determine transepithelial transport characteristics of rosuvastatin and effect of ursolic acid (P-gp potential inhibitor) and ko143 (ABC transporters selective inhibitor) on its transport in Caco-2 monolayers. A reliable Caco-2 cell monolayers model was established. The TEER value was used to inspect integrity of cell model. Apparent permeability coefficients (Papp(BL-AP) and Papp(AP-BL)) were used to analyze transepithelial transport of rosuvastatin. Uptake of rosuvastatin was time- and concentration-dependent in Caco-2 cell. The ko143 but not ursolic acid had effect on the uptake of rosuvastatin in Caco-2 cell monolayer model and affected apparent permeability coefficient and apparent permeability of rosuvastatin. Active transport and passive diffusion absorption existed in transepithelial transport of rosuvastatin in Caco-2 cell model. Ursolic acid had no effect on transport of rosuvastatin in Caco-2 cell monolayer. The result indicated that ursolic acid may not cause effect on intestinal absorption of rosuvastatin.

Theoretical study on the spectroscopic and third-order nonlinear optical properties of two-dimensional charge-transfer pyrazine derivatives

NASA Astrophysics Data System (ADS)

Li, Haipeng; Zhang, Yi; Bi, Zetong; Xu, Runfeng; Li, Mingxue; Shen, Xiaopeng; Tang, Gang; Han, Kui

2017-12-01

In this paper, density functional theory method was employed to study the electronic absorption spectrum and electronic static second hyperpolarisability of X-shaped pyrazine derivatives with two-dimensional charge-transfer structures. Computational results show that the push-pull electron abilities of the substituent groups and the length of the conjugated chains affect the electronic spectrum and static second hyperpolarisability of the pyrazine derivatives. As the push-pull electron abilities of the substituent groups or the length of the conjugated chains increases, the frontier molecular orbital energy gap decreases, resulting in increased second hyperpolarisability and redshift of the electronic absorption bands. The electronic absorption spectra of the pyrazine derivatives maintain good transparency in the blue light band. The electronic static second hyperpolarisability exhibits a linear relationship to the frontier molecular orbital energy gap. Particularly, increasing/decreasing the push-pull electron abilities of the substituent groups considerably affect the static second hyperpolarisability in long conjugated systems, which is important to the modulation of molecular organic nonlinear optical (NLO) properties. The studied pyrazine derivatives show large third-order NLO response and good transparency in the blue light band and are thus promising candidates as NLO materials for photonics applications.

Absorption of a laser light pulse in a dense plasma.

NASA Technical Reports Server (NTRS)

Mehlman-Balloffet, G.

1973-01-01

An experimental study of the absorption of a laser light pulse in a transient, high-density, high-temperature plasma is presented. The plasma is generated around a metallic anode tip by a fast capacitive discharge occurring in vacuum. The amount of transmitted light is measured for plasmas made of different metallic ions in the regions of the discharge of high electronic density. Variation of the transmission during the laser pulse is also recorded. Plasma electrons are considered responsible for the very high absorption observed.

Titanium dioxide nanotube membranes for solar energy conversion: effect of deep and shallow dopants.

PubMed

Ding, Yuchen; Nagpal, Prashant

2017-04-12

Nanostructured titanium dioxide (TiO 2 ) has been intensively investigated as a material of choice for solar energy conversion in photocatalytic, photoelectrochemical, photovoltaic, and other photosensitized devices for converting light into chemical feedstocks or electricity. Towards management of light absorption in TiO 2 , while the nanotubular structure improves light absorption and simultaneous charge transfer to mitigate problems due to the indirect bandgap of the semiconductor, typically dopants are used to improve light absorption of incident solar irradiation in the wide bandgap of TiO 2 . While these dopants can be critical to the success of these solar energy conversion devices, their effect on photophysical and photoelectrochemical properties and detailed photokinetics are relatively under-studied. Here, we show the effect of deep and shallow metal dopants on the kinetics of photogenerated charged carriers in TiO 2 and the resulting effect on photocatalytic and photoelectrochemical processes using these nanotube membranes. We performed a detailed optical, electronic, voltammetry and electrochemical impedance study to understand the effect of shallow and deep metal dopants (using undoped and niobium- and copper-doped TiO 2 nanotubes) on light absorption, charge transport and charge transfer processes. Using wireless photocatalytic methylene blue degradation and carbon dioxide reduction, and wired photoelectrochemical device measurements, we elucidate the effect of different dopants on solar-to-fuel conversion efficiency and simultaneously describe the photokinetics using a model, to help design better energy conversion devices.

Partial spin absorption induced magnetization switching and its voltage-assisted improvement in an asymmetrical all spin logic device at the mesoscopic scale

NASA Astrophysics Data System (ADS)

Zhang, Yue; Zhang, Zhizhong; Wang, Lezhi; Nan, Jiang; Zheng, Zhenyi; Li, Xiang; Wong, Kin; Wang, Yu; Klein, Jacques-Olivier; Khalili Amiri, Pedram; Zhang, Youguang; Wang, Kang L.; Zhao, Weisheng

2017-07-01

Beyond memory and storage, future logic applications put forward higher requirements for electronic devices. All spin logic devices (ASLDs) have drawn exceptional interest as they utilize pure spin current instead of charge current, which could promise ultra-low power consumption. However, relatively low efficiencies of spin injection, transport, and detection actually impede high-speed magnetization switching and challenge perspectives of ASLD. In this work, we study partial spin absorption induced magnetization switching in asymmetrical ASLD at the mesoscopic scale, in which the injector and detector have the nano-fabrication compatible device size (>100 nm) and their contact areas are different. The enlarged contact area of the detector is conducive to the spin current absorption, and the contact resistance difference between the injector and the detector can decrease the spin current backflow. Rigorous spin circuit modeling and micromagnetic simulations have been carried out to analyze the electrical and magnetic features. The results show that, at the fabrication-oriented technology scale, the ferromagnetic layer can hardly be switched by geometrically partial spin current absorption. The voltage-controlled magnetic anisotropy (VCMA) effect has been applied on the detector to accelerate the magnetization switching by modulating magnetic anisotropy of the ferromagnetic layer. With a relatively high VCMA coefficient measured experimentally, a voltage of 1.68 V can assist the whole magnetization switching within 2.8 ns. This analysis and improving approach will be of significance for future low-power, high-speed logic applications.

Improvement of pentathiophene/fullerene planar heterojunction photovoltaic cells by improving the organic films morphology through the anode buffer bilayer

NASA Astrophysics Data System (ADS)

El Jouad, Zouhair; Cattin, Linda; Martinez, Francisco; Neculqueo, Gloria; Louarn, Guy; Addou, Mohammed; Predeep, Padmanabhan; Manuvel, Jayan; Bernède, Jean-Christian

2016-05-01

Organic photovoltaic cells (OPVCs) are based on a heterojunction electron donor (ED)/electron acceptor (EA). In the present work, the electron donor which is also the absorber of light is pentathiophene. The typical cells were ITO/HTL/pentathiophene/fullerene/Alq3/Al with HTL (hole transport layer) = MoO3, CuI, MoO3/CuI. After optimisation of the pentathiophene thickness, 70 nm, the highest efficiency, 0.81%, is obtained with the bilayer MoO3/CuI as HTL. In order to understand these results the pentathiophene films deposited onto the different HTLs were characterized by scanning electron microscopy, atomic force microscopy, X-rays diffraction, optical absorption and electrical characterization. It is shown that CuI improves the conductivity of the pentathiophene layer through the modification of the film structure, while MoO3 decreases the leakage current. Using the bilayer MoO3/CuI allows cumulating the advantages of each layer. Contribution to the topical issue "Materials for Energy Harvesting, Conversion and Storage (ICOME 2015) - Elected submissions", edited by Jean-Michel Nunzi, Rachid Bennacer and Mohammed El Ganaoui

Charge Transport in Hybrid Halide Perovskite Field-Effect Transistors

NASA Astrophysics Data System (ADS)

Jurchescu, Oana

Hybrid organic-inorganic trihalide perovskite (HTP) materials exhibit a strong optical absorption, tunable band gap, long carrier lifetimes and fast charge carrier transport. These remarkable properties, coupled with their reduced complexity processing, make the HTPs promising contenders for large scale, low-cost thin film optoelectronic applications. But in spite of the remarkable demonstrations of high performance solar cells, light-emitting diodes and field-effect transistor devices, all of which took place in a very short time period, numerous questions related to the nature and dynamics of the charge carriers and their relation to device performance, stability and reliability still remain. This presentation describes the electrical properties of HTPs evaluated from field-effect transistor measurements. The electrostatic gating of provides an unique platform for the study of intrinsic charge transport in these materials, and, at the same time, expand the use of HTPs towards switching electronic devices, which have not been explored previously. We fabricated FETs on SiO2 and polymer dielectrics from spin coating, thermal evaporation and spray deposition and compare their properties. CH3NH3PbI3-xClx can reach balanced electron and hole mobilities of 10 cm2/Vs upon tuning the thin-film microstructure, injection and the defect density at the semiconductor/dielectric interface. The work was performed in collaboration with Yaochuan Mei (Wake Forest University), Chuang Zhang, and Z. Valy Vardeny (University of Utah). The work is supported by ONR Grant N00014-15-1-2943.

Predicting phenolic acid absorption in Caco-2 cells: a theoretical permeability model and mechanistic study.

PubMed

Farrell, Tracy L; Poquet, Laure; Dew, Tristan P; Barber, Stuart; Williamson, Gary

2012-02-01

There is a considerable need to rationalize the membrane permeability and mechanism of transport for potential nutraceuticals. The aim of this investigation was to develop a theoretical permeability equation, based on a reported descriptive absorption model, enabling calculation of the transcellular component of absorption across Caco-2 monolayers. Published data for Caco-2 permeability of 30 drugs transported by the transcellular route were correlated with the descriptors 1-octanol/water distribution coefficient (log D, pH 7.4) and size, based on molecular mass. Nonlinear regression analysis was used to derive a set of model parameters a', β', and b' with an integrated molecular mass function. The new theoretical transcellular permeability (TTP) model obtained a good fit of the published data (R² = 0.93) and predicted reasonably well (R² = 0.86) the experimental apparent permeability coefficient (P(app)) for nine non-training set compounds reportedly transported by the transcellular route. For the first time, the TTP model was used to predict the absorption characteristics of six phenolic acids, and this original investigation was supported by in vitro Caco-2 cell mechanistic studies, which suggested that deviation of the P(app) value from the predicted transcellular permeability (P(app)(trans)) may be attributed to involvement of active uptake, efflux transporters, or paracellular flux.

Parametric Study of Solder Flux Hygroscopicity: Impact of Weak Organic Acids on Water Layer Formation and Corrosion of Electronics

NASA Astrophysics Data System (ADS)

Piotrowska, Kamila; Ud Din, Rameez; Grumsen, Flemming Bjerg; Jellesen, Morten Stendahl; Ambat, Rajan

2018-07-01

The presence of solder flux residues on the printed circuit board assembly surface is an important factor contributing to humidity-related reliability issues that affect device lifetime. This investigation focuses on understanding the hygroscopic nature of typical wave solder flux activators—weak organic acids—under varied temperature conditions. In situ x-ray diffraction measurements assessed the effect of high temperature on the crystal structure of organic activators. The hygroscopicity studies were carried out under relative humidity (RH) levels varying from 30% to ˜ 99% and at temperatures 25°C, 40°C, and 60°C. Water absorption levels were determined using the gravimetric method, and the influence on reliability was assessed using electrochemical impedance and leak current measurements performed on the surface insulation resistance comb patterns. The corrosion studies were correlated with the hygroscopicity results and solubility data. Corrosion morphology was analysed using the optical microscopy and scanning electron microscopy. The results show that the hygroscopic nature of typical solder flux residue depends on its chemical structure and temperature. An increase of temperature shifts the critical RH level for water vapour absorption towards lower RH range, accelerating the formation of a conductive electrolyte and the occurrence of ion transport-induced electrochemical migration. The overall ranking of flux activators with the increasing order of aggressivity is: palmitic < suberic < adipic < succinic < glutaric < dl-malic acid.

The emergence and evolution of life in a "fatty acid world" based on quantum mechanics.

PubMed

Tamulis, Arvydas; Grigalavicius, Mantas

2011-02-01

Quantum mechanical based electron correlation interactions among molecules are the source of the weak hydrogen and Van der Waals bonds that are critical to the self-assembly of artificial fatty acid micelles. Life on Earth or elsewhere could have emerged in the form of self-reproducing photoactive fatty acid micelles, which gradually evolved into nucleotide-containing micelles due to the enhanced ability of nucleotide-coupled sensitizer molecules to absorb visible light. Comparison of the calculated absorption spectra of micelles with and without nucleotides confirmed this idea and supports the idea of the emergence and evolution of nucleotides in minimal cells of a so-called Fatty Acid World. Furthermore, the nucleotide-caused wavelength shift and broadening of the absorption pattern potentially gives these molecules an additional valuable role, other than a purely genetic one in the early stages of the development of life. From the information theory point of view, the nucleotide sequences in such micelles carry positional information providing better electron transport along the nucleotide-sensitizer chain and, in addition, providing complimentary copies of that information for the next generation. Nucleotide sequences, which in the first period of evolution of fatty acid molecules were useful just for better absorbance of the light in the longer wavelength region, later in the PNA or RNA World, took on the role of genetic information storage.

Magnetic Photocatalyst BiVO₄/Mn-Zn ferrite/Reduced Graphene Oxide: Synthesis Strategy and Its Highly Photocatalytic Activity.

PubMed

Xie, Taiping; Li, Hui; Liu, Chenglun; Yang, Jun; Xiao, Tiancun; Xu, Longjun

2018-05-29

Magnetic photocatalyst BiVO₄/Mn-Zn ferrite (Mn 1- x Zn x Fe₂O₄)/reduced graphene oxide (RGO) was synthesized by a simple calcination and reduction method. The magnetic photocatalyst held high visible light-absorption ability with low band gap energy and wide absorption wavelength range. Electrochemical impedance spectroscopies illustrated good electrical conductivity which indicated low charge-transfer resistance due to incorporation of Mn 1- x Zn x Fe₂O₄ and RGO. The test of photocatalytic activity showed that the degradation ratio of rhodamine B (RhB) reached 96.0% under visible light irradiation after only 1.5 h reaction. The photocatalytic mechanism for the prepared photocatalyst was explained in detail. Here, the incorporation of RGO enhanced the specific surface area compared with BiVO4/Mn 1- x Zn x Fe₂O₄.The larger specific surface area provided more active surface sites, more free space to improve the mobility of photo-induced electrons, and further facilitated the effective migration of charge carriers, leading to the remarkable improvement of photocatalytic performance. Meanwhile, RGO was the effective acceptor as well as transporter of photo-generated electron hole pairs. •O₂ - was the most active species in the photocatalytic reaction. BiVO₄/Mn 1- x Zn x Fe₂O₄/RGO had quite a wide application in organic contaminants removal or environmental pollution control.

Parametric Study of Solder Flux Hygroscopicity: Impact of Weak Organic Acids on Water Layer Formation and Corrosion of Electronics

NASA Astrophysics Data System (ADS)

Piotrowska, Kamila; Ud Din, Rameez; Grumsen, Flemming Bjerg; Jellesen, Morten Stendahl; Ambat, Rajan

2018-04-01

The presence of solder flux residues on the printed circuit board assembly surface is an important factor contributing to humidity-related reliability issues that affect device lifetime. This investigation focuses on understanding the hygroscopic nature of typical wave solder flux activators—weak organic acids—under varied temperature conditions. In situ x-ray diffraction measurements assessed the effect of high temperature on the crystal structure of organic activators. The hygroscopicity studies were carried out under relative humidity (RH) levels varying from 30% to ˜ 99% and at temperatures 25°C, 40°C, and 60°C. Water absorption levels were determined using the gravimetric method, and the influence on reliability was assessed using electrochemical impedance and leak current measurements performed on the surface insulation resistance comb patterns. The corrosion studies were correlated with the hygroscopicity results and solubility data. Corrosion morphology was analysed using the optical microscopy and scanning electron microscopy. The results show that the hygroscopic nature of typical solder flux residue depends on its chemical structure and temperature. An increase of temperature shifts the critical RH level for water vapour absorption towards lower RH range, accelerating the formation of a conductive electrolyte and the occurrence of ion transport-induced electrochemical migration. The overall ranking of flux activators with the increasing order of aggressivity is: palmitic < suberic < adipic < succinic < glutaric < uc(dl)-malic acid.

Optical activity and electronic absorption spectra of some simple nucleosides related to cytidine and uridine: all-valence-shell molecular orbital calculations.

PubMed Central

Miles, D W; Redington, P K; Miles, D L; Eyring, H

1981-01-01

The circular dichroism and electronic absorption of three simple model systems for cytidine and uridine have been measured to 190 nm. The molecular spectral properties (excitation wavelengths, oscillator strengths, rotational strengths, and polarization directions) and electronic transitional patterns were investigated by using wave functions of the entire nucleoside with the goal of establishing the reliability of the theoretical method. The computed electronic absorption quantities were shown to be in satisfactory agreement with experimental data. It was found that the computed optical rotatory strengths of the B2u and E1u electronic transitions and lowest observed n-pi transition are in good agreement with experimental values. Electronic transitions were characterized by their electronic transitional patterns derived from population analysis of the transition density matrix. The theoretical rotational strengths associated with the B2u and E1u transitions stabilize after the use of just a few singly excited configurations in the configuration interaction basis and, hypothetically, are more reliable as indicators of conformation in pyrimidine nucleosides related to cytidine. PMID:6950393

Terahertz pulse induced intervalley scattering in photoexcited GaAs.

PubMed

Su, F H; Blanchard, F; Sharma, G; Razzari, L; Ayesheshim, A; Cocker, T L; Titova, L V; Ozaki, T; Kieffer, J-C; Morandotti, R; Reid, M; Hegmann, F A

2009-06-08

Nonlinear transient absorption bleaching of intense few-cycle terahertz (THz) pulses is observed in photoexcited GaAs using opticalpump--THz-probe techniques. A simple model of the electron transport dynamics shows that the observed nonlinear response is due to THz-electric- field-induced intervalley scattering over sub-picosecond time scales as well as an increase in the intravalley scattering rate attributed to carrier heating. Furthermore, the nonlinear nature of the THz pulse transmission at high peak fields leads to a measured terahertz conductivity in the photoexcited GaAs that deviates significantly from the Drude behavior observed at low THz fields, emphasizing the need to explore nonlinear THz pulse interactions with materials in the time domain.

Composition and Properties of Deposits Formed on the Internal Surface of Oil Pipelines

NASA Astrophysics Data System (ADS)

Gulieva, N. K.; Mustafaev, I. I.; Sabzaliev, A. A.; Garibov, R. G.

2018-03-01

The composition and physicochemical properties of oil deposits formed in pipelines during the transport of oil from Azerbaijani fields were studied by atomic absorption, chromatography-mass spectrometry, gamma spectrometry, and scanning electron microscopy methods. Up to 20% of the deposits were shown to be composed of paraffins, tars, and other heavy oil fractions, while asphaltenes and mechanical impurities (iron, sulfur, manganese, calcium, and silicon compounds) comprise about 80%. The contents of polycyclic aromatic hydrocarbons and radionuclides are within permissible levels, while the content of some heavy metals exceeds the permissible level by a factor of 1000. These data should be used in the management of waste products in petroleum pipelines.

Fabrication and electrochemical properties of insoluble fullerene-diamine adduct thin-films as buffer layer by alternate immersion process

NASA Astrophysics Data System (ADS)

Saito, Jo; Akiyama, Tsuyoshi; Suzuki, Atsushi; Oku, Takeo

2017-01-01

Insoluble fullerene-diamine adduct thin-films consisting of C60 and 1,2-diaminoethane were easily fabricated on an electrode by an alternate immersion process. Formation of the C60-diamine adduct films were confirmed using transmission absorption spectroscopy and atomic force microscopy. An inverted-type organic solar cells were fabricated by using the C60-diamine adduct film as the electron transport layer. The resultant photoelectric conversation performance of the solar cells suggested that photocurrent is generated via the photoexcitation of polythiophene. The result suggests that the present insoluble fullerene-diamine adduct films worked as buffer layer for organic thin-film solar cells.

Towards simultaneous measurements of electronic and structural properties in ultra-fast x-ray free electron laser absorption spectroscopy experiments

NASA Astrophysics Data System (ADS)

Gaudin, J.; Fourment, C.; Cho, B. I.; Engelhorn, K.; Galtier, E.; Harmand, M.; Leguay, P. M.; Lee, H. J.; Nagler, B.; Nakatsutsumi, M.; Ozkan, C.; Störmer, M.; Toleikis, S.; Tschentscher, Th; Heimann, P. A.; Dorchies, F.

2014-04-01

The rapidly growing ultrafast science with X-ray lasers unveils atomic scale processes with unprecedented time resolution bringing the so called ``molecular movie'' within reach. X-ray absorption spectroscopy is one of the most powerful x-ray techniques providing both local atomic order and electronic structure when coupled with ad-hoc theory. Collecting absorption spectra within few x-ray pulses is possible only in a dispersive setup. We demonstrate ultrafast time-resolved measurements of the LIII-edge x-ray absorption near-edge spectra of irreversibly laser excited Molybdenum using an average of only few x-ray pulses with a signal to noise ratio limited only by the saturation level of the detector. The simplicity of the experimental set-up makes this technique versatile and applicable for a wide range of pump-probe experiments, particularly in the case of non-reversible processes.

Towards simultaneous measurements of electronic and structural properties in ultra-fast x-ray free electron laser absorption spectroscopy experiments

PubMed Central

Gaudin, J.; Fourment, C.; Cho, B. I.; Engelhorn, K.; Galtier, E.; Harmand, M.; Leguay, P. M.; Lee, H. J.; Nagler, B.; Nakatsutsumi, M.; Ozkan, C.; Störmer, M.; Toleikis, S.; Tschentscher, Th; Heimann, P. A.; Dorchies, F.

2014-01-01

The rapidly growing ultrafast science with X-ray lasers unveils atomic scale processes with unprecedented time resolution bringing the so called “molecular movie” within reach. X-ray absorption spectroscopy is one of the most powerful x-ray techniques providing both local atomic order and electronic structure when coupled with ad-hoc theory. Collecting absorption spectra within few x-ray pulses is possible only in a dispersive setup. We demonstrate ultrafast time-resolved measurements of the LIII-edge x-ray absorption near-edge spectra of irreversibly laser excited Molybdenum using an average of only few x-ray pulses with a signal to noise ratio limited only by the saturation level of the detector. The simplicity of the experimental set-up makes this technique versatile and applicable for a wide range of pump-probe experiments, particularly in the case of non-reversible processes. PMID:24740172

Electronic structure and optical properties of CdSxSe1-x solid solution nanostructures from X-ray absorption near edge structure, X-ray excited optical luminescence, and density functional theory investigations

NASA Astrophysics Data System (ADS)

Murphy, M. W.; Yiu, Y. M.; Ward, M. J.; Liu, L.; Hu, Y.; Zapien, J. A.; Liu, Yingkai; Sham, T. K.

2014-11-01

The electronic structure and optical properties of a series of iso-electronic and iso-structural CdSxSe1-x solid solution nanostructures have been investigated using X-ray absorption near edge structure, extended X-ray absorption fine structure, and X-ray excited optical luminescence at various absorption edges of Cd, S, and Se. It is found that the system exhibits compositions, with variable local structure in-between that of CdS and CdSe accompanied by tunable optical band gap between that of CdS and CdSe. Theoretical calculation using density functional theory has been carried out to elucidate the observations. It is also found that luminescence induced by X-ray excitation shows new optical channels not observed previously with laser excitation. The implications of these observations are discussed.

Towards simultaneous measurements of electronic and structural properties in ultra-fast x-ray free electron laser absorption spectroscopy experiments

DOE PAGES

Gaudin, J.; Fourment, C.; Cho, B. I.; ...

2014-04-17

The rapidly growing ultrafast science with X-ray lasers unveils atomic scale processes with unprecedented time resolution bringing the so called “molecular movie” within reach. X-ray absorption spectroscopy is one of the most powerful x-ray techniques providing both local atomic order and electronic structure when coupled with ad-hoc theory. Collecting absorption spectra within few x-ray pulses is possible only in a dispersive setup. We demonstrate ultrafast time-resolved measurements of the LIII-edge x-ray absorption near-edge spectra of irreversibly laser excited Molybdenum using an average of only few x-ray pulses with a signal to noise ratio limited only by the saturation level ofmore » the detector. The simplicity of the experimental set-up makes this technique versatile and applicable for a wide range of pump-probe experiments, particularly in the case of non-reversible processes.« less

Size and shape dependent optical properties of InAs quantum dots

NASA Astrophysics Data System (ADS)

Imran, Ali; Jiang, Jianliang; Eric, Deborah; Yousaf, Muhammad

2018-01-01

In this study Electronic states and optical properties of self assembled InAs quantum dots embedded in GaAs matrix have been investigated. Their carrier confinement energies for single quantum dot are calculated by time-independent Schrödinger equation in which hamiltonianian of the system is based on effective mass approximation and position dependent electron momentum. Transition energy, absorption coefficient, refractive index and high frequency dielectric constant for spherical, cylindrical and conical quantum dots with different sizes in different dimensions are calculated. Comparative studies have revealed that size and shape greatly affect the electronic transition energies and absorption coefficient. Peaks of absorption coefficients have been found to be highly shape dependent.

Hydrodynamic Impacts on Dissolution, Transport and Absorption from Thousands of Drug Particles Moving within the Intestines

NASA Astrophysics Data System (ADS)

Behafarid, Farhad; Brasseur, James G.

2017-11-01

Following tablet disintegration, clouds of drug particles 5-200 μm in diameter pass through the intestines where drug molecules are absorbed into the blood. Release rate depends on particle size, drug solubility, local drug concentration and the hydrodynamic environment driven by patterned gut contractions. To analyze the dynamics underlying drug release and absorption, we use a 3D lattice Boltzmann model of the velocity and concentration fields driven by peristaltic contractions in vivo, combined with a mathematical model of dissolution-rate from each drug particle transported through the grid. The model is empirically extended for hydrodynamic enhancements to release rate by local convection and shear-rate, and incorporates heterogeneity in bulk concentration. Drug dosage and solubility are systematically varied along with peristaltic wave speed and volume. We predict large hydrodynamic enhancements (35-65%) from local shear-rate with minimal enhancement from convection. With high permeability boundary conditions, a quasi-equilibrium balance between release and absorption is established with volume and wave-speed dependent transport time scale, after an initial transient and before a final period of dissolution/absorption. Supported by FDA.

Design optimization of beta- and photovoltaic conversion devices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wichner, R.; Blum, A.; Fischer-Colbrie, E.

1976-01-08

This report presents the theoretical and experimental results of an LLL Electronics Engineering research program aimed at optimizing the design and electronic-material parameters of beta- and photovoltaic p-n junction conversion devices. To meet this objective, a comprehensive computer code has been developed that can handle a broad range of practical conditions. The physical model upon which the code is based is described first. Then, an example is given of a set of optimization calculations along with the resulting optimized efficiencies for silicon (Si) and gallium-arsenide (GaAs) devices. The model we have developed, however, is not limited to these materials. Itmore » can handle any appropriate material--single or polycrystalline-- provided energy absorption and electron-transport data are available. To check code validity, the performance of experimental silicon p-n junction devices (produced in-house) were measured under various light intensities and spectra as well as under tritium beta irradiation. The results of these tests were then compared with predicted results based on the known or best estimated device parameters. The comparison showed very good agreement between the calculated and the measured results.« less

Bi-continuous Multi-component Nanocrystal Superlattices for Solar Energy Conversion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kagan, Cherie; Murray, Christopher; Kikkawa, James

2017-06-14

Our SISGR program studied an emerging class of nanomaterials wherein different combinations of semiconductor or semiconductor and plasmonic nanocrystals (NCs) are self-assembled into three-dimensional multi-component superlattices. The NC assemblies were designed to form bicontinuous semiconductor NC sublattices with type-II energy offsets to drive charge separation onto electron and hole transporting sublattices for collection and introduce plasmonic NCs to increase solar absorption and charge separation. Our group is expert in synthesizing and assembling an extraordinary variety of artificial systems by tailoring the NC building blocks and the superlattice unit cell geometry. Under this DOE BES Materials Chemistry program, we introduced chemicalmore » methods to control inter-particle distance and to dope NC assemblies, which enabled our demonstration of strong electronic communication between NCs and the use of NC thin films as electronic materials. We synthesized, assembled and structurally, spectroscopically, and electrically probed NC superlattices to understand and manipulate the flow of energy and charge toward discovering the design rules and optimizing these complex architectures to create materials that efficiently convert solar radiation into electricity.« less

Atomic Scale Studies of Magnetic Multilayers

NASA Astrophysics Data System (ADS)

Plisch, M. J.; Muller, D. A.; Katine, J. A.; Silcox, J.; Buhrman, R. A.

1998-03-01

The structure of interfaces in magnetic multilayers plays a crucial role in determining their transport properties(S.S.P. Parkin, Phys. Rev. Lett. 71), 1641 (1993).. A scanning transmission electron microscope (STEM) which can focus a 100 kV electron beam down to 2Åis used to make spatially resolved measurements across magnetic multilayers. Previous x-ray absorption measurements suggest that the Cu d electrons play a large role in coupling the Co layers(M.G. Samant, et. al., Phys. Rev. Lett. 72), 1112 (1994).. With electon energy loss spectroscopy (EELS), information on the spatial variation of Cu d states can be obtained. Interfacial structure and bonding have been examined in multilayers with 80 ÅCu/50 ÅCo periods (with no GMR) and 9 ÅCu/13 ÅCo periods (with greater than 50% GMR). A heteroepitaxial grain structure persisting across many multilayer periods has been seen in the short period structure, but not in the long period structure. There is mixing at the Cu/Co interface and the Cu d states near the interface are significantly modified by the Co. Fe/Cr multilayers have also been examined.

Important drug-nutrient interactions in the elderly.

PubMed

Thomas, J A; Burns, R A

1998-09-01

Several drug-nutrient interactions can occur, but their prevalence may be accentuated in the elderly. Geriatric patients may experience age-related changes in the pharmacokinetics of a drug-absorption, distribution, metabolism and excretion. When drug-nutrient interactions occur, they usually affect absorptive processes more frequently. Specific transporter systems facilitate the absorption of many drugs. Little is known about how these transporter systems are affected by aging. Co-existing disease states in the elderly may exaggerate the action of a drug and represent a confounding factor in drug-nutrient interactions. While several different drug-nutrient interactions are important in the elderly, those affecting the cardiovascular system warrant special attention.

The metabolism of structured triacylglycerols.

PubMed

Mu, Huiling; Porsgaard, Trine

2005-11-01

The triacylglycerol (TAG) structure in addition to the overall fatty acid profile is of importance when considering the nutritional effect of a dietary fat. This review aims at summarizing our current knowledge of the digestion, absorption, uptake, and transport of structured TAGs, with particular emphasis on the following aspects: gastric emptying, specificity of pancreatic lipase, lymphatic transport and clearance of chylomicrons, effects of lipid structure on tissue lipid compositions and the fecal loss of fats. So an overview will be provided for how the structure and fatty acid composition of TAGs affect their absorption and the distribution of the fatty acids in the body following digestion and absorption.

Pharmacokinetic profile of bilberry anthocyanins in rats and the role of glucose transporters: LC-MS/MS and computational studies.

PubMed

Baron, G; Altomare, A; Regazzoni, L; Redaelli, V; Grandi, S; Riva, A; Morazzoni, P; Mazzolari, A; Carini, M; Vistoli, G; Aldini, G

2017-09-10

The aim of the present investigation was to better understand the pharmacokinetic profile of bilberry (Vaccinium Myrtillus) anthocyanins and the role of glucose transporters (sGLT1 and GLUT2) on their absorption. In particular, the absorption of 15 different anthocyanins contained in a standardized bilberry extract (Mirtoselect ® ) was measured in rats by a validated LC-ESI-MS/MS approach. The plasma concentration peak (Cmax) of 11.1ng/mL was reached after 30min and fasting condition significantly increased the bioavailability of anthocyanins by more than 7 fold in respect to fed rats. Glucose co-administration did not interfere with the overall anthocyanin uptake. Bioavailability of each anthocyanin was then estimated by comparing the relative content in plasma vs extract. The 15 anthocyanins behaved differently in term of bioavailability and both the aglycone and the sugar moiety were found to affect the absorption. For instance, arabinoside moiety was detrimental while cyanidin enhanced bioavailability. Computational studies permitted to rationalize such results, highlighting the role of glucose transporters (sGLT1 and GLUT2) in anthocyanins absorption. In particular a significant correlation was found for the 15 anthocyanins between sGLT1 and GLUT2 recognition and absorption. Copyright © 2017 Elsevier B.V. All rights reserved.

Dependence of the electronic absorption spectra of aqueous solutions of iodine monochloride on the conditions of dilution and storage time

NASA Astrophysics Data System (ADS)

Klyubin, V. V.; Klyubina, K. A.; Makovetskaya, K. N.

2017-04-01

The electronic absorption spectra of aqueous solutions of iodine monochloride ICl are studied. The spectra of as-prepared solutions display the absorption band associated with hydrated ICl molecules. An additional band indicating that molecular iodine was formed in the solution emerges in the spectrum as dissolution takes place. Only the band belonging to iodine monochloride remains in the absorption spectra, and no additional bands appear after chloride anions Cl- are added to the solution. The absorption spectrum becomes more complex when ICl is dissolved in an alkaline medium. The band belonging to molecular iodine emerges in the spectra at low alkali concentrations, while being transformed to other shorter-wavelength bands at high alkali concentrations (pH ≥ 12).

Transition-metal-substituted indium thiospinels as novel intermediate-band materials: prediction and understanding of their electronic properties.

PubMed

Palacios, P; Aguilera, I; Sánchez, K; Conesa, J C; Wahnón, P

2008-07-25

Results of density-functional calculations for indium thiospinel semiconductors substituted at octahedral sites with isolated transition metals (M=Ti,V) show an isolated partially filled narrow band containing three t2g-type states per M atom inside the usual semiconductor band gap. Thanks to this electronic structure feature, these materials will allow the absorption of photons with energy below the band gap, in addition to the normal light absorption of a semiconductor. To our knowledge, we demonstrate for the first time the formation of an isolated intermediate electronic band structure through M substitution at octahedral sites in a semiconductor, leading to an enhancement of the absorption coefficient in both infrared and visible ranges of the solar spectrum. This electronic structure feature could be applied for developing a new third-generation photovoltaic cell.

Enhancement of the Optoelectronic Properties of PEDOT: PSS-PbS Nanoparticles Composite Thin Films Through Nanoparticles' Capping Ligand Exchange

NASA Astrophysics Data System (ADS)

García-Gutiérrez, Diana F.; Hernández-Casillas, Laura P.; Sepúlveda-Guzmán, Selene; Vazquez-Rodriguez, Sofia; García-Gutiérrez, Domingo I.

2018-02-01

The influence of the capping ligand on nanoparticles' optical and electronic properties is a topic of great interest currently being investigated by several research groups in different countries. In the present study, PbS nanoparticles originally synthesized with oleic acid, myristic acid and hexanoic acid underwent a ligand exchange process to replace the original carboxylic acid for uc(l)-cysteine as the capping layer, and were thoroughly characterized by means of transmission electron microscopy and its related techniques, such as energy dispersive x-ray spectroscopy and scanning-transmission electron microscopy, and Fourier transform infrared, Raman and x-ray photoelectron spectroscopy. Afterwards, these PbS nanoparticles were dispersed into a poly(3,4-ethylenedioxythiophene):poly(styrenesulfonic acid) (PEDOT:PSS) matrix to fabricate a composite thin film which displayed the optical absorption properties of the PbS nanoparticles and the electrical transport properties of the PEDOT:PSS matrix, in order to evaluate the impact of the nanoparticles' capping ligand on the optoelectronic properties of the fabricated composite thin films. Composite thin films with PbS nanoparticles showing uc(l)-cysteine as the capping layer displayed clear photoresponse and a threefold increment in their conductivities compared to pristine PEDOT:PSS. The properties of PEDOT:PSS, known as a hole transport layer in most organic photovoltaic devices, were enhanced by adding PbS nanoparticles with different capping ligands, producing a promising composite material for optoelectronic applications by proper selection of the nanoparticles' capping layer.

Na+/H+ exchanger 3 inhibitor diminishes the amino-acid-enhanced transepithelial calcium transport across the rat duodenum.

PubMed

Thammayon, Nithipak; Wongdee, Kannikar; Lertsuwan, Kornkamon; Suntornsaratoon, Panan; Thongbunchoo, Jirawan; Krishnamra, Nateetip; Charoenphandhu, Narattaphol

2017-04-01

Na + /H + exchanger (NHE)-3 is important for intestinal absorption of nutrients and minerals, including calcium. The previous investigations have shown that the intestinal calcium absorption is also dependent on luminal nutrients, but whether aliphatic amino acids and glucose, which are abundant in the luminal fluid during a meal, similarly enhance calcium transport remains elusive. Herein, we used the in vitro Ussing chamber technique to determine epithelial electrical parameters, i.e., potential difference (PD), short-circuit current (Isc), and transepithelial resistance, as well as 45 Ca flux in the rat duodenum directly exposed on the mucosal side to glucose or various amino acids. We found that mucosal glucose exposure led to the enhanced calcium transport, PD, and Isc, all of which were insensitive to NHE3 inhibitor (100 nM tenapanor). In the absence of mucosal glucose, several amino acids (12 mM in the mucosal side), i.e., alanine, isoleucine, leucine, proline, and hydroxyproline, markedly increased the duodenal calcium transport. An inhibitor for NHE3 exposure on the mucosal side completely abolished proline- and leucine-enhanced calcium transport, but not transepithelial transport of both amino acids themselves. In conclusion, glucose and certain amino acids in the mucosal side were potent stimulators of the duodenal calcium absorption, but only amino-acid-enhanced calcium transport was NHE3-dependent.

Synthesis, photophysical, structural and electronic properties of novel regioisomerically pure 1,7-disubstituted perylene-3,4,9,10-tetracarboxylic monoimide dibutylester derivatives

NASA Astrophysics Data System (ADS)

Ozser, Mustafa E.; Mohiuddin, Obaidullah

2018-04-01

Three new isomerically pure 1,7-disubstituted perylene-3,4,9,10-tetracarboxylic monoimide dibutylester derivatives namely; N-[2-(diethylamino)ethyl]-1,7-dibromoperylene-3,4,9,10-tetracarboxy monoimide dibutylester (PMD-1), N-[2-(diethylamino)ethyl]-1,7-di(4-tert-butylphenoxy)perylene-3,4,9,10-tetracarboxy monoimide dibutylester (PMD-2) and N-[2-(diethylamino)ethyl]-1,7-di(pyrrolidinyl)perylene-3,4,9,10-tetracarboxy monoimide dibutylester (PMD-3), have been synthesized and their electronic absorption spectra, and steady-state fluorescence were investigated experimentally as well as by using density functional theory (DFT) calculations. All three compounds show good solubility in toluene and chloroform. Attachment of two tert-butylphenoxy groups at the 1,7-positions in PMD-2 resulted in a red shifted absorption band with an absorption maximum at 518 nm. UV/Vis absorption spectrum of PMD-3 bearing electron donating pyrrolidinyl groups at the 1,7-positions shows a broad absorption band within the visible region, extending to red region. Absorption maximum of lowest energy transition now shifts to 653 nm. In addition to the S0 → S1 absorption bands, bands belonging to S0 → S2 electronic transitions were observed at 378, 386, and 411 nm for PMD-1, PMD-2, and PMD-3 respectively. Compounds PMD-1, PMD-2 and PMD-3 display low fluorescence quantum yields of 0.027, 0.040 and 0.001, respectively in chloroform. DFT calculations revealed that the attachment of electron donating groups at 1,7-positions of perylene core, results in an increase in frontier orbitals energy levels. Observed energy increase in HOMO level is larger in each case, compared to the energy increase in LUMO levels, due to the higher contribution of side groups to HOMO. DFT calculated band gaps for PMD-1, PMD-2 and PMD-3 are 2.68, 2.63 and 2.29 eV respectively.

Cation-induced band-gap tuning in organohalide perovskites: interplay of spin-orbit coupling and octahedra tilting.

PubMed

Amat, Anna; Mosconi, Edoardo; Ronca, Enrico; Quarti, Claudio; Umari, Paolo; Nazeeruddin, Md K; Grätzel, Michael; De Angelis, Filippo

2014-06-11

Organohalide lead perovskites have revolutionized the scenario of emerging photovoltaic technologies. The prototype MAPbI3 perovskite (MA = CH3NH3(+)) has dominated the field, despite only harvesting photons above 750 nm (∼1.6 eV). Intensive research efforts are being devoted to find new perovskites with red-shifted absorption onset, along with good charge transport properties. Recently, a new perovskite based on the formamidinium cation ((NH2)2CH(+) = FA) has shown potentially superior properties in terms of band gap and charge transport compared to MAPbI3. The results have been interpreted in terms of the cation size, with the larger FA cation expectedly delivering reduced band-gaps in Pb-based perovskites. To provide a full understanding of the interplay among size, structure, and organic/inorganic interactions in determining the properties of APbI3 perovskites, in view of designing new materials and fully exploiting them for solar cells applications, we report a fully first-principles investigation on APbI3 perovskites with A = Cs(+), MA, and FA. Our results evidence that the tetragonal-to-quasi cubic structural evolution observed when moving from MA to FA is due to the interplay of size effects and enhanced hydrogen bonding between the FA cations and the inorganic matrix altering the covalent/ionic character of Pb-I bonds. Most notably, the observed cation-induced structural variability promotes markedly different electronic and optical properties in the MAPbI3 and FAPbI3 perovskites, mediated by the different spin-orbit coupling, leading to improved charge transport and red-shifted absorption in FAPbI3 and in general in pseudocubic structures. Our theoretical model constitutes the basis for the rationale design of new and more efficient organohalide perovskites for solar cells applications.

π-π Interaction among violanthrone molecules: observation, enhancement, and resulting charge transport properties.

PubMed

Shi, Min-Min; Chen, Yi; Nan, Ya-Xiong; Ling, Jun; Zuo, Li-Jian; Qiu, Wei-Ming; Wang, Mang; Chen, Hong-Zheng

2011-02-03

To investigate the relationship between π-π stacking and charge transport property of organic semiconductors, a highly soluble violanthrone derivative, 16,17-bis(2-ethylhexyloxy)anthra[9,1,2-cde-]benzo[rst]pentaphene-5,10-dione (3), is designed and synthesized. The π-π stacking behavior and the aggregation of compound 3 in both solution and thin film were studied in detail by (1)H nuclear magnetic resonance (NMR) spectroscopy, ultraviolet-visible (UV-vis) absorption, X-ray diffraction (XRD), and atomic force microscopy (AFM). When (1)H NMR spectroscopy and theoretical modeling results were combined, the arrangements of compound 3 molecules in the aggregates are demonstrated, where the dipole moments of the two adjacent molecules are nearly reversed to achieve efficient intermolecular π-π overlapping. Furthermore, it is interesting to find that the π-π stacking of compound 3, in both solution and thin films, can be enhanced by introducing a poor solvent n-hexane into the dilute chloroform solution. The resulting film exhibits more red-shifted absorption and higher crystallinity than the film made from pure chloroform solvent, suggesting that π-π interactions in the solid state are intensified by the poor solvent. Organic field-effect transistors (OFETs) with compound 3 film as the transportation layer were fabricated. It is disclosed that the compound 3 film obtained from the chloroform/n-hexane mixed solvents exhibits 1 order of magnitude higher hole mobility than that from the pure chloroform solvent because of the enhanced π-π interactions and the higher crystallinity in the former film. This work provided us valuable information in the improvement of electronic and optoelectronic performances of organic semiconductors by tuning their aggregate structures.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei

A new polymorph of the RE 2Ru 3Ge 5 (RE = Pr, Sm, Dy) compounds has been grown as single crystals via an indium flux. These compounds crystallize in tetragonal space group P4/mnc with the Sc 2Fe 3Si 5-type structure, having lattice parameters a = 11.020(2) Å and c = 5.853(1) Å for RE = Pr, a = 10.982(2) Å and c = 5.777(1) Å for RE = Sm, and a = 10.927(2) Å and c = 5.697(1) Å for RE = Dy. These materials exhibit a structural transition at low temperature, which is attributed to an apparent charge densitymore » wave (CDW). Both the high-temperature average crystal structure and the low-temperature incommensurately modulated crystal structure (for Sm 2Ru 3Ge 5 as a representative) have been solved. The charge density wave order is manifested by periodic distortions of the onedimensional zigzag Ge chains. From X-ray diffraction, charge transport (electrical resistivity, Hall effect, magnetoresistance), magnetic measurements, and heat capacity, the ordering temperatures (T CDW) observed in the Pr and Sm analogues are ~200 and ~175 K, respectively. The charge transport measurement results indicate an electronic state transition happening simultaneously with the CDW transition. X-ray absorption near-edge spectroscopy (XANES) and electronic band structure results are also reported.« less

Photosynthetic Electron Transport Chain of Chlamydomonas reinhardi. IV. Purification and Properties of Plastocyanin.

PubMed

Gorman, D S; Levine, R P

1966-12-01

The copper protein plastocyanin has been found to be an essential component of the photosynthetic electron transport chain of Chlamydomonas reinhardi, and in this paper we describe a method for its isolation and purification from the wild-type strain. In addition, we describe some of its properties and compare them with those reported for spinach plastocyanin.The plastocyanin was extracted from acetone powders prepared from intact cells, and it was purified by ion exchange chromatography on DEAE cellulose and gel filtration on Sephadex G-75. The yield of the purified protein ranged from plastocyanin equivalent to 2.0 to 2.5 mug atoms copper per 1000 mumoles chlorophyll. In general the absorption spectrum of plastocyanin from C. reinhardi resembled that of the plastocyanin from spinach. Some spectral differences were found in the ultraviolet region where, in contrast to spinach plastocyanin, that of C. reinhardi had a greater absorbance (relative to peaks in the visible) and less evidence for phenylalanine fine structure. The normal oxidation-reduction potential of C. reinhardi plastocyanin was found to be + 0.37 volts, the same as reported for spinach plastocyanin. The molecular weight of C. reinhardi plastocyanin has been estimated to be 13,000 +/- 2000. In contrast, the value for spinach plastocyanin has been found to be 21,000.

Identifying the molecular functions of electron transport proteins using radial basis function networks and biochemical properties.

PubMed

Le, Nguyen-Quoc-Khanh; Nguyen, Trinh-Trung-Duong; Ou, Yu-Yen

2017-05-01

The electron transport proteins have an important role in storing and transferring electrons in cellular respiration, which is the most proficient process through which cells gather energy from consumed food. According to the molecular functions, the electron transport chain components could be formed with five complexes with several different electron carriers and functions. Therefore, identifying the molecular functions in the electron transport chain is vital for helping biologists understand the electron transport chain process and energy production in cells. This work includes two phases for discriminating electron transport proteins from transport proteins and classifying categories of five complexes in electron transport proteins. In the first phase, the performances from PSSM with AAIndex feature set were successful in identifying electron transport proteins in transport proteins with achieved sensitivity of 73.2%, specificity of 94.1%, and accuracy of 91.3%, with MCC of 0.64 for independent data set. With the second phase, our method can approach a precise model for identifying of five complexes with different molecular functions in electron transport proteins. The PSSM with AAIndex properties in five complexes achieved MCC of 0.51, 0.47, 0.42, 0.74, and 1.00 for independent data set, respectively. We suggest that our study could be a power model for determining new proteins that belongs into which molecular function of electron transport proteins. Copyright © 2017 Elsevier Inc. All rights reserved.

Orally active-targeted drug delivery systems for proteins and peptides.

PubMed

Li, Xiuying; Yu, Miaorong; Fan, Weiwei; Gan, Yong; Hovgaard, Lars; Yang, Mingshi

2014-09-01

In the past decade, extensive efforts have been devoted to designing 'active targeted' drug delivery systems (ATDDS) to improve oral absorption of proteins and peptides. Such ATDDS enhance cellular internalization and permeability of proteins and peptides via molecular recognition processes such as ligand-receptor or antigen-antibody interaction, and thus enhance drug absorption. This review focuses on recent advances with orally ATDDS, including ligand-protein conjugates, recombinant ligand-protein fusion proteins and ligand-modified carriers. In addition to traditional intestinal active transport systems of substrates and their corresponding receptors, transporters and carriers, new targets such as intercellular adhesion molecule-1 and β-integrin are also discussed. ATDDS can improve oral absorption of proteins and peptides. However, currently, no clinical studies on ATDDS for proteins and peptides are underway, perhaps due to the complexity and limited knowledge of transport mechanisms. Therefore, more research is warranted to optimize ATDDS efficiency.

Microscopic studies of the fate of charges in organic semiconductors: Scanning Kelvin probe measurements of charge trapping, transport, and electric fields in p- and n-type devices

NASA Astrophysics Data System (ADS)

Smieska, Louisa Marion

Organic semiconductors could have wide-ranging applications in lightweight, efficient electronic circuits. However, several fundamental questions regarding organic electronic device behavior have not yet been fully addressed, including the nature of chemical charge traps, and robust models for injection and transport. Many studies focus on engineering devices through bulk transport measurements, but it is not always possible to infer the microscopic behavior leading to the observed measurements. In this thesis, we present scanning-probe microscope studies of organic semiconductor devices in an effort to connect local properties with local device behavior. First, we study the chemistry of charge trapping in pentacene transistors. Working devices are doped with known pentacene impurities and the extent of charge trap formation is mapped across the transistor channel. Trap-clearing spectroscopy is employed to measure an excitation of the pentacene charge trap species, enabling identification of the degradationrelated chemical trap in pentacene. Second, we examine transport and trapping in peryelene diimide (PDI) transistors. Local mobilities are extracted from surface potential profiles across a transistor channel, and charge injection kinetics are found to be highly sensitive to electrode cleanliness. Trap-clearing spectra generally resemble PDI absorption spectra, but one derivative yields evidence indicating variation in trap-clearing mechanisms for different surface chemistries. Trap formation rates are measured and found to be independent of surface chemistry, contradicting a proposed silanol trapping mechanism. Finally, we develop a variation of scanning Kelvin probe microscopy that enables measurement of electric fields through a position modulation. This method avoids taking a numeric derivative of potential, which can introduce high-frequency noise into the electric field signal. Preliminary data is presented, and the theoretical basis for electric field noise in both methods is examined.

Contorted Organic Semiconductors for Molecular Electronics

NASA Astrophysics Data System (ADS)

Zhong, Yu

This thesis focuses on the synthesis, properties and applications of two types of contorted organic molecules: contorted molecular ribbons and conjugated corrals. We utilized the power of reaction chemistry to writing information into conjugated molecules with contorted structures and studied "structure-property" relationships. The unique properties of the molecules were expressed in electronic and optoelectronic devices such as field-effect transistors, solar cells, photodetectors, etc. In Chapter 2, I describe the design and synthesis of a new graphene ribbon architecture that consists of perylenediimide (PDI) subunits fused together by ethylene bridges. We created a prototype series of oligomers consisting of the dimer, trimer, and tetramer. The steric congestion at the fusion point between the PDI units creates helical junctions, and longer oligomers form helical ribbons. Thin films of these oligomers form the active layer in n-type field effect transistors. UV-vis spectroscopy reveals the emergence of an intense long-wavelength transition in the tetramer. From DFT calculations, we find that the HOMO-2 to LUMO transition is isoenergetic with the HOMO to LUMO transition in the tetramer. We probe these transitions directly using femtosecond transient absorption spectroscopy. The HOMO-2 to LUMO transition electronically connects the PDI subunits with the ethylene bridges, and its energy depends on the length of the oligomer. In Chapter 3, I describe an efficiency of 6.1% for a solution processed non-fullerene solar cell using a helical PDI dimer as the electron acceptor. Femtosecond transient absorption spectroscopy revealed both electron and hole transfer processes at the donor-acceptor interfaces, indicating that charge carriers are created from photogenerated excitons in both the electron donor and acceptor phases. Light-intensity-dependent current?voltage measurements suggested different recombination rates under short-circuit and open-circuit conditions. In Chapter 4, I discuss helical molecular semiconductors as electron acceptors that are on par with fullerene derivatives in efficient solar cells. We achieved an 8.3% power conversion efficiency in a solar cell, which is a record high for non-fullerene bulk heterojunctions. Femtosecond transient absorption spectroscopy revealed both electron and hole transfer processes at the donor-acceptor interfaces. Atomic force microscopy reveals a mesh-like network of acceptors with pores that are tens of nanometers in diameter for efficient exciton separation and charge transport. This study describes a new motif for designing highly efficient acceptors for organic solar cells. In Chapter 5, I compare analogous cyclic and acyclic pi-conjugated molecules as n-type electronic materials and find that the cyclic molecules have numerous benefits in organic photovoltaics. We designed two conjugated cycles for this study. Each comprises four subunits; one combines four electron-accepting, redox-active, diphenyl-perylenediimide subunits, and the other alternates two electron-donating bithiophene units with two diphenyl-perylenediimide units. We compare the macrocycles to acyclic versions of these molecules and find that, relative to the acyclic analogs, the conjugated macrocycles have bathochromically shifted UV-vis absorbances and are more easily reduced. In blended films, macrocycle-based devices show higher electron mobility and good morphology. All of these factors contribute to the more than doubling of the power conversion efficiency observed in organic photovoltaic devices with these macrocycles as the n-type, electron transporting material. This study highlights the importance of geometric design in creating new molecular semiconductors. In Chapter 6, I describe a new molecular design that enables high performance organic photodetectors. We use a rigid, conjugated macrocycle as the electron acceptor in devices to obtain high photocurrent and low dark current. We directly compare the macrocyclic acceptor devices to an acyclic control device; we find that the superior performance of the macrocycle originates from its rigid, conjugated, and cyclic structure. The macrocycle's rigid structure reduces the number of charged defects originating from deformed sp 2 carbons and covalent defects from photo/thermo-activation. With this molecular design we are able to suppress dark current density while retaining high responsivity in an ultra-sensitive non-fullerene organic photodetector. Importantly, we achieve a detectivity of 1014 Jones at near zero bias voltage. This is without the need for extra carrier blocking layers commonly employed in fullerene-based devices. Our devices are comparable to the best fullerene-based photodetectors, and the sensitivity at low working voltages (< 0.1 V) is a record for non-fullerene OPDs.

Operando Soft X-ray Absorption Spectroscopic Study on a Solid Oxide Fuel Cell Cathode during Electrochemical Oxygen Reduction.

PubMed

Nakamura, Takashi; Oike, Ryo; Kimura, Yuta; Tamenori, Yusuke; Kawada, Tatsuya; Amezawa, Koji

2017-05-09

An operando soft X-ray absorption spectroscopic technique, which enabled the analysis of the electronic structures of the electrode materials at elevated temperature in a controlled atmosphere and electrochemical polarization, was established and its availability was demonstrated by investigating the electronic structural changes of an La 2 NiO 4+δ dense-film electrode during an electrochemical oxygen reduction reaction. Clear O K-edge and Ni L-edge X-ray absorption spectra could be obtained below 773 K under an atmospheric pressure of 100 ppm O 2 /He, 0.1 % O 2 /He, and 1 % O 2 /He gas mixtures. Considerable spectral changes were observed in the O K-edge X-ray absorption spectra upon changing the PO2 and application of electrical potential, whereas only small spectral changes were observed in Ni L-edge X-ray absorption spectra. A pre-edge peak of the O K-edge X-ray absorption spectra, which reflects the unoccupied partial density of states of Ni 3d-O 2p hybridization, increased or decreased with cathodic or anodic polarization, respectively. The electronic structural changes of the outermost orbital of the electrode material due to electrochemical polarization were successfully confirmed by the operando X-ray absorption spectroscopic technique developed in this study. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Transport of a Novel Angiotensin-I-Converting Enzyme Inhibitory Peptide Ala-His-Leu-Leu Across Human Intestinal Epithelial Caco-2 Cells.

PubMed

Li, Ying; Zhao, Jiangtao; Liu, Xiaoli; Xia, Xiudong; Wang, Ying; Zhou, Jianzhong

2017-03-01

The transport behavior and absorption mechanism of Ala-His-Leu-Leu (AHLL) intestinal absorption in Caco-2 cell monolayers were clarified systemically. The safe absorptive concentration of AHLL was 200 μg/mL, which was determined by the 3-(4,5-dimethyl-2-thiazolyl)-2,5-diphenyl-2H-tetrazolium bromide assay. The permeation of AHLL was concentration dependent in a bidirectional transfer and reached a plateau at 90 min. The efflux ratio was above 0.5, suggesting that AHLL was absorbed by both active transport and passive diffusion. The apparent permeability coefficients (P app ) of AHLL both from the apical (AP) to basolateral (BL) side (P app AB) and from the BL to AP side (P app BA) decreased when the temperature was lowered from 37°C to 4°C.The uptake of AHLL was more at pH 7.4 than at other pHs. Both verapamil and (E)-3-[[[3-[2-(7-chloro-2- quinolinyl) ethenyl] phenyl]-[[(3-dimethyl amino)-3-oxopropyl]thio] methyl] thio]-propanoic acid (MK571) inhibited the absorption of AHLL, indicating that P-glycoprotein and multi-drug resistant proteins (MRPs) were all involved in AHLL secretion, especially multi-drug resistant protein 2 (MRP2). AHLL was transported through both trans- and paracellular pathways across the Caco-2 cell monolayer. This work first elucidates the AHLL absorption mechanism in Caco-2 cells and provides the basis for future studies on the improvement of bioavailability.

BASIC STUDIES IN PERCUTANEOUS ABSORPTION.

DTIC Science & Technology

FATTY ACIDS, *SKIN(ANATOMY), ABSORPTION, ALKYL RADICALS, AMIDES, DIFFUSION, ELECTRON MICROSCOPY, HUMIDITY, LABORATORY ANIMALS, LIPIDS, ORGANIC SOLVENTS, PENETRATION, PRIVATION, PROTEINS, RATS, TEMPERATURE, WATER

Tunable electromagnetically induced absorption based on graphene

NASA Astrophysics Data System (ADS)

Cao, Maoyong; Wang, Tongling; Zhang, Huiyun; Zhang, Yuping

2018-04-01

In this paper, an electronically induced absorption (EIA) structure based on graphene at the infrared frequency is proposed. A pair of nanorods is coupled to a ring resonator, resulting in electronically induced transparency (EIT), and then, Babinet's principle is applied to transform the EIT structure into an EIA structure. Based on the bright and dark modes of the coupling schemes, the adjustment of the coupling strength between the dark and bright modes can be achieved by changing the asymmetry degree. In addition, the transparency window and the absorption peak can be tuned by changing the Fermi energy of graphene. This graphene-based EIA structure can develop the path in narrow-band filtering and, absorptive switching in the future.

Icy Moon Absorption Signatures: Probes of Saturnian Magnetospheric Dynamics and Moon Activity

NASA Astrophysics Data System (ADS)

Roussos, E.; Krupp, N.; Jones, G. H.; Paranicas, C.; Mitchell, D. G.; Krimigis, S. M.; Motschmann, U.; Dougherty, M. K.; Lagg, A.; Woch, J.

2006-12-01

After the first flybys at the outer planets by the Pioneer and Voyager probes, it became evident that energetic charged particle absorption features in the radiation belts are important tracers of magnetospheric dynamical features and parameters. Absorption signatures are especially important for characterizing the Saturnian magnetosphere. Due to the spin and magnetic axes' near-alignment, losses of particles to the icy moon surfaces and rings are higher compared to the losses at other planetary magnetospheres. The refilling rate of these absorption features (termed "micorsignatures") can be associated with particle diffusion. In addition, as these microsignatures drift with the properties of the pre-depletion electrons, they provide us direct information on the drift shell structure in the radiation belts and the factors that influence their shape. The multiple icy moon L-shell crossings by the Cassini spacecraft during the first 2 years of the mission provided us with almost 100 electron absorption events by eight different moons, at various longitudinal separations from each one and at various electron energies. Their analysis seems to give a consistent picture of the electron diffusion source and puts aside a lot of inconsistencies that resulted from relevant Pioneer and Voyager studies. The presence of non-axisymmetric particle drift shells even down to the orbit of Enceladus (3.98 Rs), also revealed through this analysis, suggests either large ring current disturbances or the action of global or localized electric fields. Finally, despite these absorption signatures being observed far from the originating moons, they can give us hints on the nature of the local interaction between each moon and the magnetospheric plasma. It is, nevertheless, beyond any doubt that energetic charged particle absorption signatures are a very powerful tool that can be used to effectively probe a series of dynamical processes in the Saturnian magnetosphere.

Enhanced uptake and transport of (+)-catechin and (−)-epigallocatechin gallate in niosomal formulation by human intestinal Caco-2 cells

PubMed Central

Song, Qinxin; Li, Danhui; Zhou, Yongzhi; Yang, Jie; Yang, Wanqi; Zhou, Guohua; Wen, Jingyuan

2014-01-01

The aim of this study was to evaluate (+)-catechin and (−)-epigallocatechin gallate (EGCG) cellular uptake and transport across human intestinal Caco-2 cell monolayer in both the absence and presence of niosomal carrier in variable conditions. The effect of free drugs and drug-loaded niosomes on the growth of Caco-2 cells was studied. The effects of time, temperature, and concentration on drug cellular uptake in the absence or presence of its niosomal delivery systems were investigated. The intestinal epithelial membrane transport of the drug-loaded niosomes was examined using the monolayer of the human Caco-2 cells. The kinetics of transport, and the effect of temperature, adenosine triphosphate inhibitor, permeability glycoprotein inhibitor, multidrug resistance-associated protein 2 inhibitor, and the absorption enhancer on transport mechanism were investigated. It was found that the uptake of catechin, EGCG, and their niosomes by Caco-2 cells was 1.22±0.16, 0.90±0.14, 3.25±0.37, and 1.92±0.22 μg/mg protein, respectively (n=3). The apparent permeability coefficient values of catechin, EGCG, and their niosomes were 1.68±0.16, 0.88±0.09, 2.39±0.31, and 1.42±0.24 cm/second (n=3) at 37°C, respectively. The transport was temperature- and energy-dependent. The inhibitors of permeability glycoprotein and multidrug resistance-associated protein 2 and the absorption enhancer significantly enhanced the uptake amount. Compared with the free drugs, niosomal formulation significantly enhanced drug absorption. Additionally, drug-loaded niosomes exhibited stronger stability and lower toxicity. These findings showed that the oral absorption of tea flavonoids could be improved by using the novel drug delivery systems. PMID:24855353

An experimental study of the electronic absorption and fluorescence spectral properties of new p-substituted-N-phenylpyrroles and their electrosynthesized polymers.

PubMed

Diaw, A K D; Gningue-Sall, D; Yassar, A; Brochon, J-C; Henry, E; Aaron, J-J

2015-01-25

Electronic absorption and fluorescence spectral properties of new p-substituted-N-phenylpyrroles (N-PhPys), including HOPhPy, MeOPhPy, ThPhPy, PhDPy, DPhDPy, PyPhThThPhPy, and their available, electrosynthesized polymers were investigated. Electronic absorption spectra, fluorescence excitation and emission spectra, fluorescence quantum yields (ΦF) and lifetimes (τF), and other photophysical parameters of these N-PhPy derivatives and their polymers were measured in DMF, DMSO diluted solutions and/or solid state at room temperature. The electronic absorption spectra of N-PhPy derivatives and their polymers included one to several bands, located in the 270-395 nm region, according to the p-phenyl substituent electron-donating effect and conjugated heteroaromatic system length. The fluorescence excitation spectra were characterized by one broad main peak, with, in most cases, one (or more) poorly resolved shoulder (s), appearing in the 270-405 nm region, and their emission spectra were generally constituted of several bands located in the 330-480 nm region. No significant shift of the absorption, fluorescence excitation and emission spectra wavelengths was found upon going from the monomers to the corresponding polymers. ΦF values were high, varying between 0.11 and 0.63, according to the nature of substituents(s) and to the conjugated system extension. Fluorescence decays were mono-exponential for the monomers and poly-exponential for PyPhThThPhPy and for polymers. τF values were relatively short (0.35-5.17 ns), and markedly decreased with the electron-donor character of the phenyl group p-substituent and the conjugated system extension. Copyright © 2014 Elsevier B.V. All rights reserved.

Synthesis and energy applications of mesoporous titania thin films

NASA Astrophysics Data System (ADS)

Islam, Syed Z.

The optical and electronic properties of TiO2 thin films provide tremendous opportunities in several applications including photocatalysis, photovoltaics and photoconductors for energy production. Despite many attractive features of TiO2, critical challenges include the innate inability of TiO2 to absorb visible light and the fast recombination of photoexcited charge carriers. In this study, mesoporous TiO2 thin films are modified by doping using hydrogen and nitrogen, and sensitization using graphene quantum dot sensitization. For all of these modifiers, well-ordered mesoporous titania films were synthesized by surfactant templated sol-gel process. Two methods: hydrazine and plasma treatments have been developed for nitrogen and hydrogen doping in the mesoporous titania films for band gap reduction, visible light absorption and enhancement of photocatalytic activity. The hydrazine treatment in mesoporous titania thin films suggests that hydrazine induced doping is a promising approach to enable synergistic incorporation of N and Ti3+ into the lattice of surfactant-templated TiO2 films and enhanced visible light photoactivity, but that the benefits are limited by gradual mesostructure deterioration. The plasma treated nitrogen doped mesoporous titania showed about 240 times higher photoactivity compared to undoped film in hydrogen production from photoelectrochemical water splitting under visible light illumination. Plasma treated hydrogen doped mesoporous titania thin films has also been developed for enhancement of visible light absorption. Hydrogen treatment has been shown to turn titania (normally bright white) black, indicating vastly improved visible light absorption. The cause of the color change and its effectiveness for photocatalysis remain open questions. For the first time, we showed that a significant amount of hydrogen is incorporated in hydrogen plasma treated mesoporous titania films by neutron reflectometry measurements. In addition to the intrinsic modification of titania by doping, graphene quantum dot sensitization in mesoporous titania film was also investigated for visible light photocatalysis. Graphene quantum dot sensitization and nitrogen doping of ordered mesoporous titania films showed synergistic effect in water splitting due to high surface area, band gap reduction, enhanced visible light absorption, and efficient charge separation and transport. This study suggests that plasma based doping and graphene quantum dot sensitization are promising strategies to reduce band gap and enhance visible light absorption of high surface area surfactant templated mesoporous titania films, leading to superior visible-light driven photoelectrochemical hydrogen production. The results demonstrate the importance of designing and manipulating the energy band alignment in composite nanomaterials for fundamentally improving visible light absorption, charge separation and transport, and thereby photoelectrochemical properties.

Optical Absorption in Degenerately Doped Semiconductors: Mott Transition or Mahan Excitons?

NASA Astrophysics Data System (ADS)

Schleife, André; Rödl, Claudia; Fuchs, Frank; Hannewald, Karsten; Bechstedt, Friedhelm

2011-12-01

Electron doping turns semiconductors conductive even when they have wide fundamental band gaps. The degenerate electron gas in the lowest conduction-band states, e.g., of a transparent conducting oxide, drastically modifies the Coulomb interaction between the electrons and, hence, the optical properties close to the absorption edge. We describe these effects by developing an ab initio technique which captures also the Pauli blocking and the Fermi-edge singularity at the optical-absorption onset, that occur in addition to quasiparticle and excitonic effects. We answer the question whether free carriers induce an excitonic Mott transition or trigger the evolution of Wannier-Mott excitons into Mahan excitons. The prototypical n-type zinc oxide is studied as an example.

Electron-cyclotron absorption in high-temperature plasmas: quasi-exact analytical evaluation and comparative numerical analysis

NASA Astrophysics Data System (ADS)

Albajar, F.; Bertelli, N.; Bornatici, M.; Engelmann, F.

2007-01-01

On the basis of the electromagnetic energy balance equation, a quasi-exact analytical evaluation of the electron-cyclotron (EC) absorption coefficient is performed for arbitrary propagation (with respect to the magnetic field) in a (Maxwellian) magneto-plasma for the temperature range of interest for fusion reactors (in which EC radiation losses tend to be important in the plasma power balance). The calculation makes use of Bateman's expansion for the product of two Bessel functions, retaining the lowest-order contribution. The integration over electron momentum can then be carried out analytically, fully accounting for finite Larmor radius effects in this approximation. On the basis of the analytical expressions for the EC absorption coefficients of both the extraordinary and ordinary modes thus obtained, (i) for the case of perpendicular propagation simple formulae are derived for both modes and (ii) a numerical analysis of the angular distribution of EC absorption is carried out. An assessment of the accuracy of asymptotic expressions that have been given earlier is also performed, showing that these approximations can be usefully applied for calculating EC power losses from reactor-grade plasmas. Presented in part at the 14th Joint Workshop on Electron Cyclotron Emission and Electron Cyclotron Resonance Heating, Santorini, Greece, 9-12 May 2006.

Molecular modification of coumarin dyes for more efficient dye sensitized solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sanchez-de-Armas, Rocio; San-Miguel, Miguel A.; Oviedo, Jaime

2012-05-21

In this work, new coumarin based dyes for dye sensitized solar cells (DSSC) have been designed by introducing several substituent groups in different positions of the NKX-2311 structure. Two types of substitutions have been considered: the introduction of three electron-donating groups (-OH, -NH{sub 2}, and -OCH{sub 3}) and two different substituents with steric effect: -CH{sub 2}-CH{sub 2}-CH{sub 2}- and -CH{sub 2}-HC=CH-. The electronic absorption spectra (position and width of the first band and absorption threshold) and the position of the LUMO level related to the conduction band have been used as theoretical criteria to evaluate the efficiency of the newmore » dyes. The introduction of a -NH{sub 2} group produces a redshift of the absorption maximum position and the absorption threshold, which could improve the cell efficiency. In contrast, the introduction of -CH{sub 2}-CH{sub 2}-CH{sub 2}- does not modify significantly the electronic structure of NKX-2311, but it might prevent aggregation. Finally, -CH{sub 2}-HC=CH- produces important changes both in the electronic spectrum and in the electronic structure of the dye, and it would be expected as an improvement of cell efficiency for these dyes.« less

Review on iron and its importance for human health

PubMed Central

Abbaspour, Nazanin; Hurrell, Richard; Kelishadi, Roya

2014-01-01

It is well-known that deficiency or over exposure to various elements has noticeable effects on human health. The effect of an element is determined by several characteristics, including absorption, metabolism, and degree of interaction with physiological processes. Iron is an essential element for almost all living organisms as it participates in a wide variety of metabolic processes, including oxygen transport, deoxyribonucleic acid (DNA) synthesis, and electron transport. However, as iron can form free radicals, its concentration in body tissues must be tightly regulated because in excessive amounts, it can lead to tissue damage. Disorders of iron metabolism are among the most common diseases of humans and encompass a broad spectrum of diseases with diverse clinical manifestations, ranging from anemia to iron overload, and possibly to neurodegenerative diseases. In this review, we discuss the latest progress in studies of iron metabolism and bioavailability, and our current understanding of human iron requirement and consequences and causes of iron deficiency. Finally, we discuss strategies for prevention of iron deficiency. PMID:24778671

Field-emission from quantum-dot-in-perovskite solids

PubMed Central

García de Arquer, F. Pelayo; Gong, Xiwen; Sabatini, Randy P.; Liu, Min; Kim, Gi-Hwan; Sutherland, Brandon R.; Voznyy, Oleksandr; Xu, Jixian; Pang, Yuangjie; Hoogland, Sjoerd; Sinton, David; Sargent, Edward

2017-01-01

Quantum dot and well architectures are attractive for infrared optoelectronics, and have led to the realization of compelling light sensors. However, they require well-defined passivated interfaces and rapid charge transport, and this has restricted their efficient implementation to costly vacuum-epitaxially grown semiconductors. Here we report solution-processed, sensitive infrared field-emission photodetectors. Using quantum-dots-in-perovskite, we demonstrate the extraction of photocarriers via field emission, followed by the recirculation of photogenerated carriers. We use in operando ultrafast transient spectroscopy to sense bias-dependent photoemission and recapture in field-emission devices. The resultant photodiodes exploit the superior electronic transport properties of organometal halide perovskites, the quantum-size-tuned absorption of the colloidal quantum dots and their matched interface. These field-emission quantum-dot-in-perovskite photodiodes extend the perovskite response into the short-wavelength infrared and achieve measured specific detectivities that exceed 1012 Jones. The results pave the way towards novel functional photonic devices with applications in photovoltaics and light emission. PMID:28337981

Phytotoxic Mechanism of Nanoparticles: Destruction of Chloroplasts and Vascular Bundles and Alteration of Nutrient Absorption

NASA Astrophysics Data System (ADS)

Nhan, Le Van; Ma, Chuanxin; Rui, Yukui; Liu, Shutong; Li, Xuguang; Xing, Baoshan; Liu, Liming

2015-06-01

This study focused on determining the phytotoxic mechanism of CeO2 nanoparticles (NPs): destroying chloroplasts and vascular bundles and altering absorption of nutrients on conventional and Bt-transgenic cottons. Experiments were designed with three concentrations of CeO2 NPs including: 0, 100 and 500 mg·L-1, and each treatment was three replications. Results indicate that absorbed CeO2 nanoparticles significantly reduced the Zn, Mg, Fe, and P levels in xylem sap compared with the control group and decreased indole-3-acetic acid (IAA) and abscisic acid (ABA) concentrations in the roots of conventional cotton. Transmission electron microscopy (TEM) images revealed that CeO2 NPs were absorbed into the roots and subsequently transported to the stems and leaves of both conventional and Bt-transgenic cotton plants via xylem sap. In addition, the majority of aggregated CeO2 NPs were attached to the external surface of chloroplasts, which were swollen and ruptured, especially in Bt-transgenic cotton. The vascular bundles were destroyed by CeO2 nanoparticles, and more damage was observed in transgenic cotton than conventional cotton.

Enhanced Light Absorption in Fluorinated Ternary Small-Molecule Photovoltaics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eastham, Nicholas D.; Dudnik, Alexander S.; Harutyunyan, Boris

2017-06-14

Using small-molecule donor (SMD) semiconductors in organic photovoltaics (OPVs) has historically afforded lower power conversion efficiencies (PCEs) than their polymeric counterparts. The PCE difference is attributed to shorter conjugated backbones, resulting in reduced intermolecular interactions. Here, a new pair of SMDs is synthesized based on the diketopyrrolopyrrole-benzodithiophene-diketopyrrolopyrrole (BDT-DPP2) skeleton but having fluorinated and fluorinefree aromatic side-chain substituents. Ternary OPVs having varied ratios of the two SMDs with PC61BM as the acceptor exhibit tunable open-circuit voltages (Vocs) between 0.833 and 0.944 V due to a fluorination-induced shift in energy levels and the electronic “alloy” formed from the miscibility of the twomore » SMDs. A 15% increase in PCE is observed at the optimal ternary SMD ratio, with the short-circuit current density (Jsc) significantly increased to 9.18 mA/cm2. The origin of Jsc enhancement is analyzed via charge generation, transport, and diffuse reflectance measurements, and is attributed to increased optical absorption arising from a maximum in film crystallinity at this SMD ratio, observed by grazing incidence wide-angle X-ray scattering.« less

Fabrication of TiO2 Nanosheet Aarrays/Graphene/Cu2O Composite Structure for Enhanced Photocatalytic Activities

NASA Astrophysics Data System (ADS)

Huang, Jinzhao; Fu, Ke; Deng, Xiaolong; Yao, Nannan; Wei, Mingzhi

2017-04-01

TiO2 NSAs/graphene/Cu2O was fabricated on the carbon fiber to use as photocastalysts by coating Cu2O on the graphene (G) decorated TiO2 nanosheet arrays (NSAs). The research focus on constructing the composite structure and investigating the reason to enhance the photocatalytic ability. The morphological, structural, and photocatalytic properties of the as-synthesized products were characterized. The experimental results indicate that the better photocatalytic performance is ascribed to the following reasons. First, the TiO2 NSAs/graphene/Cu2O composite structure fabricated on the carbon cloth can form a 3D structure which can provide a higher specific surface area and enhance the light absorption. Second, the graphene as an electron sink can accept the photoelectrons from the photoexcited Cu2O which will reduce the recombination. Third, the TiO2 nanosheet can provide more favorable carrier transportation channel which can reduce the recombination of carriers. Finally, the Cu2O can extend the light absorption range.

Enhancing energy transport in conjugated polymers

NASA Astrophysics Data System (ADS)

Holmes, Russell J.

2018-05-01

The conversion of light into usable chemical energy by plants is enabled by the precise spatial arrangement of light-absorbing photosynthetic systems and associated molecular complexes (1). In organic solar cells, there is also the need to control intermolecular spacing and molecular orientation, as well as thin-film crystallinity and morphology, so as to enable efficient energy migration and photoconversion (2). In an organic solar cell, light absorption creates excitons, tightly bound electron-hole pairs that must be efficiently dissociated into their component charge carriers in order to create an electrical current. Thus, long-range exciton migration must occur from the point of photogeneration to a dissociating site. On page 897 of this issue, Jin et al. (3) report on a conjugated polymer nanofiber system that yields exciton diffusion lengths greater than 200 nm. In comparison, organic solar cells are typically constructed with materials having exciton diffusion lengths one order of magnitude smaller than this value, which limits device thickness and optical absorption. Their approach exploits a sequential synthesis method that enables measurement of this long exciton diffusion length (see the figure).

Morphology-dependent optical absorption and conduction properties of photoelectrochemical photocatalysts for H2 production: A case study

NASA Astrophysics Data System (ADS)

Huda, Muhammad N.; Turner, John A.

2010-06-01

Efficient photoelectrochemical H2 production by solar irradiation depends not only on the photocatalyst's band gap and its band-edge positions but also on the detailed electronic nature of the bands, such as the localization or delocalization of the band edges and their orbital characteristics. These determine the carrier transport properties, reactivity, light absorption strength, etc. and significantly impact the material's efficiency as a photoconverter. The localization or delocalization of the band edges may arise either due to the orbital nature of the bands or the structural morphology of the material. A recent experimental report on a photocatalyst based on s /p orbitals showed very poor performance for H2 production despite the delocalized nature of the s /p bands as compared to the d-bands of transition metal oxides. It is then important to examine whether this poor performance is inherent to these materials or rather arises from some experimental limitations. A theoretical analysis by first-principle methods is well suited to shed light on this question.

Polarization effects associated with thermal processing of HY-80 structural steel using high-power laser diode array

NASA Astrophysics Data System (ADS)

Wu, Sheldon S. Q.; Baker, Bradford W.; Rotter, Mark D.; Rubenchik, Alexander M.; Wiechec, Maxwell E.; Brown, Zachary M.; Beach, Raymond J.; Matthews, Manyalibo J.

2017-12-01

Localized heating of roughened steel surfaces using highly divergent laser light emitted from high-power laser diode arrays was experimentally demonstrated and compared with theoretical predictions. Polarization dependence was analyzed using Fresnel coefficients to understand the laser-induced temperature rise of HY-80 steel plates under 383- to 612-W laser irradiation. Laser-induced, transient temperature distributions were directly measured using bulk thermocouple probes and thermal imaging. Finite-element analysis yielded quantitative assessment of energy deposition and heat transport in HY-80 steel using absorptivity as a tuning parameter. The extracted absorptivity values ranged from 0.62 to 0.75 for S-polarized and 0.63 to 0.85 for P-polarized light, in agreement with partially oxidized iron surfaces. Microstructural analysis using electron backscatter diffraction revealed a heat affected zone for the highest temperature conditions (612 W, P-polarized) as evidence of rapid quenching and an austenite to martensite transformation. The efficient use of diode arrays for laser-assisted advanced manufacturing technologies, such as hybrid friction stir welding, is discussed.

Imaging Plasmon Hybridization of Fano Resonances via Hot-Electron-Mediated Absorption Mapping.

PubMed

Simoncelli, Sabrina; Li, Yi; Cortés, Emiliano; Maier, Stefan A

2018-06-13

The inhibition of radiative losses in dark plasmon modes allows storing electromagnetic energy more efficiently than in far-field excitable bright-plasmon modes. As such, processes benefiting from the enhanced absorption of light in plasmonic materials could also take profit of dark plasmon modes to boost and control nanoscale energy collection, storage, and transfer. We experimentally probe this process by imaging with nanoscale precision the hot-electron driven desorption of thiolated molecules from the surface of gold Fano nanostructures, investigating the effect of wavelength and polarization of the incident light. Spatially resolved absorption maps allow us to show the contribution of each element of the nanoantenna in the hot-electron driven process and their interplay in exciting a dark plasmon mode. Plasmon-mode engineering allows control of nanoscale reactivity and offers a route to further enhance and manipulate hot-electron driven chemical reactions and energy-conversion and transfer at the nanoscale.

NARROW LINE ABSORPTION IN CACO3.

DTIC Science & Technology

CARBONATES), (*CALCIUM COMPOUNDS, (*ABSORPTION SPECTRA, CALCITE), (*CALCITE, RADIATION EFFECTS), ELECTRON PARAMAGNETIC RESONANCE, SINGLE CRYSTALS , NEUTRONS, X RAYS, GAMMA RAYS, IONS, CRYSTAL DEFECTS, PARAMAGNETIC RESONANCE.

In vitro investigation of intestinal transport mechanism of silicon, supplied as orthosilicic acid-vanillin complex.

PubMed

Sergent, Thérèse; Croizet, Karine; Schneider, Yves-Jacques

2017-02-01

Silicon (Si) is one of the most abundant trace elements in the body. Although pharmacokinetics data described its absorption from the diet and its body excretion, the mechanisms involved in the uptake and transport of Si across the gut wall have not been established. Caco-2 cells were used as a well-accepted in vitro model of the human intestinal epithelium to investigate the transport, across the intestinal barrier in both the absorption and excretion directions, of Si supplied as orthosilicic acid stabilized by vanillin complex (OSA-VC). The transport of this species was found proportional to the initial concentration and to the duration of incubation, with absorption and excretion mean rates similar to those of Lucifer yellow, a marker of paracellular diffusion, and increasing in the presence of EGTA, a chelator of divalents cations including calcium. A cellular accumulation of Si, polarized from the apical side of cells, was furthermore detected. These results provide evidence that Si, ingested as a food supplement containing OSA-VC, crosses the intestinal mucosa by passive diffusion via the paracellular pathway through the intercellular tight junctions and accumulates intracellularly, probably by an uptake mechanism of facilitated diffusion. This study can help to further understand the kinetic of absorption of Si. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of proinflammatory cytokine IL-6 on efflux transport of rebamipide in Caco-2 cells.

PubMed

Miyake, Masateru; Nakai, Daisuke

2017-09-01

1. Effect of IL-6, a pro-inflammatory cytokine, on efflux transport of rebamipide, an antiulcer drug, was investigated in Caco-2 cells. 2. Rebamipide had a greater basal-to-apical than apical-to-basal transport rate. Efflux transport of rebamipide was inhibited by cyclosporine A, a P-gp inhibitor, and probenecid, which is a general MRP inhibitor, but not by Ko143, a BCRP inhibitor. 3. By the addition of IL-6, mannitol transport was slightly increased in a concentration-dependent manner in both directions of absorption and efflux. The addition of IL-6 did not change efflux transport of rebamipide even though efflux transport of digoxin, a typical substrate of P-gp, was significantly decreased by the addition of IL-6, indicating decrease of the function of P-gp. 4. Therefore, it was suggested that increase of MRP(s)-mediated transport compensates for the decrease of P-gp mediated transport of rebamipide. These findings suggested that rebamipide absorption is unlikely to be changed in IBD patients.

Membrane transporters in drug development

PubMed Central

2011-01-01

Membrane transporters can be major determinants of the pharmacokinetic, safety and efficacy profiles of drugs. This presents several key questions for drug development, including which transporters are clinically important in drug absorption and disposition, and which in vitro methods are suitable for studying drug interactions with these transporters. In addition, what criteria should trigger follow-up clinical studies, and which clinical studies should be conducted if needed. In this article, we provide the recommendations of the International Transporter Consortium on these issues, and present decision trees that are intended to help guide clinical studies on the currently recognized most important drug transporter interactions. The recommendations are generally intended to support clinical development and filing of a new drug application. Overall, it is advised that the timing of transporter investigations should be driven by efficacy, safety and clinical trial enrolment questions (for example, exclusion and inclusion criteria), as well as a need for further understanding of the absorption, distribution, metabolism and excretion properties of the drug molecule, and information required for drug labeling. PMID:20190787

Fermi-Edge Singularity of Spin-Polarized Electrons

NASA Astrophysics Data System (ADS)

Plochocka-Polack, P.; Groshaus, J. G.; Rappaport, M.; Umansky, V.; Gallais, Y.; Pinczuk, A.; Bar-Joseph, I.

2007-05-01

We study the absorption spectrum of a two-dimensional electron gas (2DEG) in a magnetic field. We find that at low temperatures, when the 2DEG is spin polarized, the absorption spectra, which correspond to the creation of spin up or spin down electrons, differ in magnitude, linewidth, and filling factor dependence. We show that these differences can be explained as resulting from the creation of a Mahan exciton in one case, and of a power law Fermi-edge singularity in the other.

Room-temperature synthesis and photoluminescence of hexagonal CePO4 nanorods

NASA Astrophysics Data System (ADS)

Zhu, J.; Zhang, K.; Zhao, H. Y.

2018-01-01

Hexagonal CePO4 nanorods were synthesized via a simple chemical precipitation route at room-temperature without the presence of surfactants and then characterized by powder X-ray diffraction (XRD), energy-dispersive X-ray (EDX) spectrometry, scanning electron microscopy (SEM), transmission electron microscopy (TEM), ultraviolet-visible (UV-vis) absorption and photoluminescence (PL) spectroscopy. Hexagonal CePO4 nanorods exhibit strong ultraviolet absorption and ultraviolet luminescence, which correspond to the electronic transitions between 4f and 5d state of Ce3+ ions.