Electronically conducting hybrid material as high performance catalyst support for electrocatalytic application

NASA Astrophysics Data System (ADS)

Rajesh, B.; Ravindranathan Thampi, K.; Bonard, J.-M.; Mathieu, H. J.; Xanthopoulos, N.; Viswanathan, B.

The electronically conducting hybrid material based on transition metal oxide and conducting polymer has been used as the catalyst support for Pt nanoparticles. The Pt nanoparticles loaded hybrid organic (polyaniline)-inorganic (vanadium pentoxide) composite has been used as the electrode material for methanol oxidation, a reaction of importance for the development of direct methanol fuel cells (DMFC). The hybrid material exhibited excellent electrochemical and thermal stability in comparison to the physical mixture of conducting polymer and transition metal oxide. The Pt nanoparticles loaded hybrid material exhibited high electrocatalytic activity and stability for methanol oxidation in comparison to the Pt supported on the Vulcan XC 72R carbon support. The higher activity and stability is attributed to the better CO tolerance of the composite material.

Electronic sideband locking of a broadly tunable 318.6 nm ultraviolet laser to an ultra-stable optical cavity

NASA Astrophysics Data System (ADS)

Bai, Jiandong; Wang, Jieying; He, Jun; Wang, Junmin

2017-04-01

We demonstrate frequency stabilization of a tunable 318.6 nm ultraviolet (UV) laser system using electronic sideband locking. By indirectly changing the frequency of a broadband electro-optic phase modulator, the laser can be continuously tuned over 4 GHz, while a 637.2 nm laser is directly stabilized to a high-finesse ultra-stable optical cavity. The doubling cavity also remains locked to the 637.2 nm light. We show that the tuning range depends mainly on the gain-flattening region of the modulator and the piezo-tunable range of the seed laser. The frequency-stabilized tunable UV laser system is able to compensate for the offset between reference and target frequencies, and has potential applications in precision spectroscopy of cold atoms.

Balancing the Hydrogen Evolution Reaction, Surface Energetics, and Stability of Metallic MoS 2 Nanosheets via Covalent Functionalization

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

Benson, Eric E.; Zhang, Hanyu; Schuman, Samuel A.

We modify the fundamental electronic properties of metallic (1T phase) nanosheets of molybdenum disulfide (MoS 2) through covalent chemical functionalization, and thereby directly influence the kinetics of the hydrogen evolution reaction (HER), surface energetics, and stability. Chemically exfoliated, metallic MoS 2 nanosheets are functionalized with organic phenyl rings containing electron donating or withdrawing groups. We find that MoS 2 functionalized with the most electron donating functional group (p-(CH 3CH 2) 2NPh-MoS 2) is the most efficient catalyst for HER in this series, with initial activity that is slightly worse compared to the pristine metallic phase of MoS 2. The p-(CHmore » 3CH 2) 2NPh-MoS 2 is more stable than unfunctionalized metallic MoS 2 and outperforms unfunctionalized metallic MoS 2 for continuous H 2 evolution within 10 min under the same conditions. With regards to the entire studied series, the overpotential and Tafel slope for catalytic HER are both directly correlated with the electron donating strength of the functional group. The results are consistent with a mechanism involving ground-state electron donation or withdrawal to/from the MoS 2 nanosheets, which modifies the electron transfer kinetics and catalytic activity of the MoS 2 nanosheet. The functional groups preserve the metallic nature of the MoS 2 nanosheets, inhibiting conversion to the thermodynamically stable semiconducting state (2H) when mildly annealed in a nitrogen atmosphere. We propose that the electron density and, therefore, reactivity of the MoS 2 nanosheets are controlled by the attached functional groups. Functionalizing nanosheets of MoS 2 and other transition metal dichalcogenides provides a synthetic chemical route for controlling the electronic properties and stability within the traditionally thermally unstable metallic state.« less

Balancing the Hydrogen Evolution Reaction, Surface Energetics, and Stability of Metallic MoS 2 Nanosheets via Covalent Functionalization

DOE PAGES

Benson, Eric E.; Zhang, Hanyu; Schuman, Samuel A.; ...

2017-12-27

We modify the fundamental electronic properties of metallic (1T phase) nanosheets of molybdenum disulfide (MoS 2) through covalent chemical functionalization, and thereby directly influence the kinetics of the hydrogen evolution reaction (HER), surface energetics, and stability. Chemically exfoliated, metallic MoS 2 nanosheets are functionalized with organic phenyl rings containing electron donating or withdrawing groups. We find that MoS 2 functionalized with the most electron donating functional group (p-(CH 3CH 2) 2NPh-MoS 2) is the most efficient catalyst for HER in this series, with initial activity that is slightly worse compared to the pristine metallic phase of MoS 2. The p-(CHmore » 3CH 2) 2NPh-MoS 2 is more stable than unfunctionalized metallic MoS 2 and outperforms unfunctionalized metallic MoS 2 for continuous H 2 evolution within 10 min under the same conditions. With regards to the entire studied series, the overpotential and Tafel slope for catalytic HER are both directly correlated with the electron donating strength of the functional group. The results are consistent with a mechanism involving ground-state electron donation or withdrawal to/from the MoS 2 nanosheets, which modifies the electron transfer kinetics and catalytic activity of the MoS 2 nanosheet. The functional groups preserve the metallic nature of the MoS 2 nanosheets, inhibiting conversion to the thermodynamically stable semiconducting state (2H) when mildly annealed in a nitrogen atmosphere. We propose that the electron density and, therefore, reactivity of the MoS 2 nanosheets are controlled by the attached functional groups. Functionalizing nanosheets of MoS 2 and other transition metal dichalcogenides provides a synthetic chemical route for controlling the electronic properties and stability within the traditionally thermally unstable metallic state.« less

Laboratory Astrophysics Using a Microcalorimeter and Bragg Crystal Spectrometer on an Electron Beam Ion Trap

NASA Technical Reports Server (NTRS)

Brinton, John (Technical Monitor); Silver, Eric

2005-01-01

We completed modifications to the new microcalorimeter system dedicated for use on the EBIT at NIST, which included: 1) a redesign of the x-ray calibration source from a direct electron impact source to one that irradiates the microcalorimeter with fluorescent x-rays. The resulting calibration lines are free of bremsstrahlung background; 2) the microcalorimeter electronic circuit was significantly improved to ensure long-term stability for lengthy experimental runs

First Direct Observation of Runaway-Electron-Driven Whistler Waves in Tokamaks

DOE PAGES

Spong, D. A.; Heidbrink, W. W.; Paz-Soldan, C.; ...

2018-04-11

DIII-D experiments at low density (n e ~10 19 m -3) have directly measured whistler waves in the 100– 200 MHz range excited by multi-MeV runaway electrons. Whistler activity is correlated with runaway intensity (hard x-ray emission level), occurs in novel discrete frequency bands, and exhibits nonlinear limitcycle- like behavior. The measured frequencies scale with the magnetic field strength and electron density as expected from the whistler dispersion relation. The modes are stabilized with increasing magnetic field, which is consistent with wave-particle resonance mechanisms. The mode amplitudes show intermittent time variations correlated with changes in the electron cyclotron emission thatmore » follow predator-prey cycles. These can be interpreted as wave-induced pitch angle scattering of moderate energy runaways. The tokamak runaway-whistler mechanisms have parallels to whistler phenomena in ionospheric plasmas. The observations also open new directions for the modeling and active control of runaway electrons in tokamaks.« less

First Direct Observation of Runaway-Electron-Driven Whistler Waves in Tokamaks.

PubMed

Spong, D A; Heidbrink, W W; Paz-Soldan, C; Du, X D; Thome, K E; Van Zeeland, M A; Collins, C; Lvovskiy, A; Moyer, R A; Austin, M E; Brennan, D P; Liu, C; Jaeger, E F; Lau, C

2018-04-13

DIII-D experiments at low density (n_{e}∼10^{19}  m^{-3}) have directly measured whistler waves in the 100-200 MHz range excited by multi-MeV runaway electrons. Whistler activity is correlated with runaway intensity (hard x-ray emission level), occurs in novel discrete frequency bands, and exhibits nonlinear limit-cycle-like behavior. The measured frequencies scale with the magnetic field strength and electron density as expected from the whistler dispersion relation. The modes are stabilized with increasing magnetic field, which is consistent with wave-particle resonance mechanisms. The mode amplitudes show intermittent time variations correlated with changes in the electron cyclotron emission that follow predator-prey cycles. These can be interpreted as wave-induced pitch angle scattering of moderate energy runaways. The tokamak runaway-whistler mechanisms have parallels to whistler phenomena in ionospheric plasmas. The observations also open new directions for the modeling and active control of runaway electrons in tokamaks.

First Direct Observation of Runaway-Electron-Driven Whistler Waves in Tokamaks

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

Spong, D. A.; Heidbrink, W. W.; Paz-Soldan, C.

DIII-D experiments at low density (n e ~10 19 m -3) have directly measured whistler waves in the 100– 200 MHz range excited by multi-MeV runaway electrons. Whistler activity is correlated with runaway intensity (hard x-ray emission level), occurs in novel discrete frequency bands, and exhibits nonlinear limitcycle- like behavior. The measured frequencies scale with the magnetic field strength and electron density as expected from the whistler dispersion relation. The modes are stabilized with increasing magnetic field, which is consistent with wave-particle resonance mechanisms. The mode amplitudes show intermittent time variations correlated with changes in the electron cyclotron emission thatmore » follow predator-prey cycles. These can be interpreted as wave-induced pitch angle scattering of moderate energy runaways. The tokamak runaway-whistler mechanisms have parallels to whistler phenomena in ionospheric plasmas. The observations also open new directions for the modeling and active control of runaway electrons in tokamaks.« less

Laser direct writing of carbon/Au composite electrodes for high-performance micro-supercapacitors

NASA Astrophysics Data System (ADS)

Cai, Jinguang; Watanabe, Akira; Lv, Chao

2017-02-01

Micro-supercapacitors with small size, light weight, flexibility while maintaining high energy and power output are required for portable miniaturized electronics. The fabrication methods and materials should be cost-effective, scalable, and easily integrated to current electronic industry. Carbon materials have required properties for high-performance flexible supercapacitors, including high specific surface areas, electrochemical stability, and high electrical conductivity, as well as the high mechanical tolerance. Laser direct writing method is a non-contact, efficient, single-step fabrication technique without requirements of masks, post-processing, and complex clean room, which is a useful patterning technique, and can be easily integrated with current electronic product lines for commercial use. Previously we have reported micro-supercapacitors fabricated by laser direct writing on polyimide films in air or Ar, which showed highcapacitive performance. However, the conductivity of the carbon materials is still low for fast charge-discharge use. Here, we demonstrated the fabrication of flexible carbon/Au composite high-performance MSCs by first laser direct writing on commercial polyimide films followed by spin-coating Au nanoparticles ink and second in-situ laser direct writing using the low-cost semiconductor laser. As-prepared micro-supercapacitors show an improved conductivity and capacitance of 1.17 mF/cm2 at a high scanning rate of 10,000 mV/s, which is comparable to the reported capacitance of carbon-based micro-supercapacitors. In addition, the micro-supercapacitors have high bend tolerance and long-cycle stability.

Liquid water- and heat-resistant hybrid perovskite photovoltaics via an inverted ALD oxide electron extraction layer design

DOE PAGES

Kim, In Soo; Cao, Duyen H.; Buchholz, D. Bruce; ...

2016-11-09

Despite rapid advances in conversion efficiency (>22%), the environmental stability of perovskite solar cells remains a substantial barrier to commercialization. Here, we show a significant improvement in the stability of inverted perovskite solar cells against liquid water and high operating temperature (100 °C) by integrating an ultrathin amorphous oxide electron extraction layer via atomic layer deposition (ALD). Here, these unencapsulated inverted devices exhibit a stable operation over at least 10 h when subjected to high thermal stress (100 °C) in ambient environments, as well as upon direct contact with a droplet of water without further encapsulation.

The stability of aluminium oxide monolayer and its interface with two-dimensional materials

NASA Astrophysics Data System (ADS)

Song, Ting Ting; Yang, Ming; Chai, Jian Wei; Callsen, Martin; Zhou, Jun; Yang, Tong; Zhang, Zheng; Pan, Ji Sheng; Chi, Dong Zhi; Feng, Yuan Ping; Wang, Shi Jie

2016-07-01

The miniaturization of future electronic devices requires the knowledge of interfacial properties between two-dimensional channel materials and high-κ dielectrics in the limit of one atomic layer thickness. In this report, by combining particle-swarm optimization method with first-principles calculations, we present a detailed study of structural, electronic, mechanical, and dielectric properties of Al2O3 monolayer. We predict that planar Al2O3 monolayer is globally stable with a direct band gap of 5.99 eV and thermal stability up to 1100 K. The stability of this high-κ oxide monolayer can be enhanced by substrates such as graphene, for which the interfacial interaction is found to be weak. The band offsets between the Al2O3 monolayer and graphene are large enough for electronic applications. Our results not only predict a stable high-κ oxide monolayer, but also improve the understanding of interfacial properties between a high-κ dielectric monolayer and two-dimensional material.

Structural and electronic properties of CdSe/ZnS and ZnS/CdSe core/shell nanowires via first principles study

NASA Astrophysics Data System (ADS)

Rehman, Shafiq Ur; Li, H. M.; Ding, Z. J.

2018-05-01

First principles calculations have been performed to predict the structural stability and electronic structures of hydrogen passivated wurtzite CdSe/ZnS and ZnS/CdSe core/shell nanowires (CSNWs) in the [0001] direction. The calculated binding energy shows that ZnS/CdSe CSNWs are more stable than CdSe/ZnS CSNWs and the stability of ZnS/CdSe CSNWs increases with increasing the thickness of ZnS shell. The modulated electronic band gap demonstrates an increase when the size of both CSNWs is reduced, as a result of the quantum confinement effect. The core-to-shell chemical composition of atoms shows that a strong composition effect also exists in these CSNWs, which in turn affects their electronic properties. Our simulated results show that the photoemission spectra of the CSNWs can be significantly improved by tuning the energy gap of CSNWs.

Hierarchical meso/macro-porous carbon fabricated from dual MgO templates for direct electron transfer enzymatic electrodes.

PubMed

Funabashi, Hiroto; Takeuchi, Satoshi; Tsujimura, Seiya

2017-03-23

We designed a three-dimensional (3D) hierarchical pore structure to improve the current production efficiency and stability of direct electron transfer-type biocathodes. The 3D hierarchical electrode structure was fabricated using a MgO-templated porous carbon framework produced from two MgO templates with sizes of 40 and 150 nm. The results revealed that the optimal pore composition for a bilirubin oxidase-catalysed oxygen reduction cathode was a mixture of 33% macropores and 67% mesopores (MgOC 33 ). The macropores improve mass transfer inside the carbon material, and the mesopores improve the electron transfer efficiency of the enzyme by surrounding the enzyme with carbon.

Hierarchical meso/macro-porous carbon fabricated from dual MgO templates for direct electron transfer enzymatic electrodes

NASA Astrophysics Data System (ADS)

Funabashi, Hiroto; Takeuchi, Satoshi; Tsujimura, Seiya

2017-03-01

We designed a three-dimensional (3D) hierarchical pore structure to improve the current production efficiency and stability of direct electron transfer-type biocathodes. The 3D hierarchical electrode structure was fabricated using a MgO-templated porous carbon framework produced from two MgO templates with sizes of 40 and 150 nm. The results revealed that the optimal pore composition for a bilirubin oxidase-catalysed oxygen reduction cathode was a mixture of 33% macropores and 67% mesopores (MgOC33). The macropores improve mass transfer inside the carbon material, and the mesopores improve the electron transfer efficiency of the enzyme by surrounding the enzyme with carbon.

Hot Electrons Regain Coherence in Semiconducting Nanowires

NASA Astrophysics Data System (ADS)

Reiner, Jonathan; Nayak, Abhay Kumar; Avraham, Nurit; Norris, Andrew; Yan, Binghai; Fulga, Ion Cosma; Kang, Jung-Hyun; Karzig, Toesten; Shtrikman, Hadas; Beidenkopf, Haim

2017-04-01

The higher the energy of a particle is above equilibrium, the faster it relaxes because of the growing phase space of available electronic states it can interact with. In the relaxation process, phase coherence is lost, thus limiting high-energy quantum control and manipulation. In one-dimensional systems, high relaxation rates are expected to destabilize electronic quasiparticles. Here, we show that the decoherence induced by relaxation of hot electrons in one-dimensional semiconducting nanowires evolves nonmonotonically with energy such that above a certain threshold hot electrons regain stability with increasing energy. We directly observe this phenomenon by visualizing, for the first time, the interference patterns of the quasi-one-dimensional electrons using scanning tunneling microscopy. We visualize the phase coherence length of the one-dimensional electrons, as well as their phase coherence time, captured by crystallographic Fabry-Pèrot resonators. A remarkable agreement with a theoretical model reveals that the nonmonotonic behavior is driven by the unique manner in which one-dimensional hot electrons interact with the cold electrons occupying the Fermi sea. This newly discovered relaxation profile suggests a high-energy regime for operating quantum applications that necessitate extended coherence or long thermalization times, and may stabilize electronic quasiparticles in one dimension.

Persistent order due to transiently enhanced nesting in an electronically excited charge density wave

DOE PAGES

Rettig, L.; Cortés, R.; Chu, J. -H.; ...

2016-01-25

Non-equilibrium conditions may lead to novel properties of materials with broken symmetry ground states not accessible in equilibrium as vividly demonstrated by non-linearly driven mid-infrared active phonon excitation. Potential energy surfaces of electronically excited states also allow to direct nuclear motion, but relaxation of the excess energy typically excites fluctuations leading to a reduced or even vanishing order parameter as characterized by an electronic energy gap. Here, using femtosecond time-and angle-resolved photoemission spectroscopy, we demonstrate a tendency towards transient stabilization of a charge density wave after near-infrared excitation, counteracting the suppression of order in the non-equilibrium state. Analysis of themore » dynamic electronic structure reveals a remaining energy gap in a highly excited transient state. In conclusion, our observation can be explained by a competition between fluctuations in the electronically excited state, which tend to reduce order, and transiently enhanced Fermi surface nesting stabilizing the order.« less

Optical Orientation of Mn2+ Ions in GaAs in Weak Longitudinal Magnetic Fields

NASA Astrophysics Data System (ADS)

Akimov, I. A.; Dzhioev, R. I.; Korenev, V. L.; Kusrayev, Yu. G.; Sapega, V. F.; Yakovlev, D. R.; Bayer, M.

2011-04-01

We report on optical orientation of Mn2+ ions in bulk GaAs subject to weak longitudinal magnetic fields (B≤100mT). A manganese spin polarization of 25% is directly evaluated by using spin-flip Raman scattering. The dynamical Mn2+ polarization occurs due to the s-d exchange interaction with optically oriented conduction band electrons. Time-resolved photoluminescence reveals a nontrivial electron spin dynamics, where the oriented Mn2+ ions tend to stabilize the electron spins.

Optical orientation of Mn2+ ions in GaAs in weak longitudinal magnetic fields.

PubMed

Akimov, I A; Dzhioev, R I; Korenev, V L; Kusrayev, Yu G; Sapega, V F; Yakovlev, D R; Bayer, M

2011-04-08

We report on optical orientation of Mn2+ ions in bulk GaAs subject to weak longitudinal magnetic fields (B≤100  mT). A manganese spin polarization of 25% is directly evaluated by using spin-flip Raman scattering. The dynamical Mn2+ polarization occurs due to the s-d exchange interaction with optically oriented conduction band electrons. Time-resolved photoluminescence reveals a nontrivial electron spin dynamics, where the oriented Mn2+ ions tend to stabilize the electron spins.

Stability of colloidal silver nanoparticles trapped in lipid bilayer: effect of lecithin concentration and applied temperature.

PubMed

Barani, Hossein; Montazer, Majid; Braun, Hans-Georg; Dutschk, Victoria

2014-12-01

The use of silver nanoparticle on various substrates has been widespread because of its good antibacterial properties that directly depend on the stability of the silver nanoparticles in a colloidal suspension. In this study, the colloidal solutions of the silver nanoparticles were synthesised by a simple and safe method by using lecithin as a stabilising agent and their stability was examined at various temperatures. The effect of the lecithin concentrations on the stability of the synthesised silver nanoparticles was examined from 25 to 80°C at 5°C intervals, by recording the changes in the UV-vis absorption spectra, the hydrodynamic diameter and the light scattering intensity of the silver nanoparticles. In addition, the morphology of the synthesised silver nanoparticles was investigated with the low-voltage scanning electron microscopy and transmission electron microscopy. The results indicated that increasing temperature caused different changes in the size of the stabilised and the unstabilised silver nanoparticles. The size of the stabilised silver nanoparticles reduced from 38 to 36 nm during increasing temperature, which confirmed good stability.

Enhancement of low-energy electron emission in 2D radioactive films

NASA Astrophysics Data System (ADS)

Pronschinske, Alex; Pedevilla, Philipp; Murphy, Colin J.; Lewis, Emily A.; Lucci, Felicia R.; Brown, Garth; Pappas, George; Michaelides, Angelos; Sykes, E. Charles H.

2015-09-01

High-energy radiation has been used for decades; however, the role of low-energy electrons created during irradiation has only recently begun to be appreciated. Low-energy electrons are the most important component of radiation damage in biological environments because they have subcellular ranges, interact destructively with chemical bonds, and are the most abundant product of ionizing particles in tissue. However, methods for generating them locally without external stimulation do not exist. Here, we synthesize one-atom-thick films of the radioactive isotope 125I on gold that are stable under ambient conditions. Scanning tunnelling microscopy, supported by electronic structure simulations, allows us to directly observe nuclear transmutation of individual 125I atoms into 125Te, and explain the surprising stability of the 2D film as it underwent radioactive decay. The metal interface geometry induces a 600% amplification of low-energy electron emission (<10 eV; ref. ) compared with atomic 125I. This enhancement of biologically active low-energy electrons might offer a new direction for highly targeted nanoparticle therapies.

Construction of titanium dioxide nanorod/graphite microfiber hybrid electrodes for a high performance electrochemical glucose biosensor

NASA Astrophysics Data System (ADS)

Zhang, Jian; Yu, Xin; Guo, Weibo; Qiu, Jichuan; Mou, Xiaoning; Li, Aixue; Liu, Hong

2016-04-01

The demand for a highly sensitive and selective glucose biosensor which can be used for implantable or on-time monitoring is constantly increasing. In this work, TiO2 nanorods were synthesized in situ on the surface of graphite microfibers to yield TiO2 nanorod/graphite microfiber hybrid electrodes. The TiO2 nanorods not only retain the high activity of the immobilized glucose molecule, but also promote the direct electron transfer process on the electrode surface. As a working electrode in an electrochemical glucose biosensor in a flowing system, the microfiber hybrid electrodes exhibit high sensitivity, selectivity and stability. Due to its simplicity, low cost, high stability, and unique morphology, the TiO2 nanorod/graphite microfiber hybrid electrode is expected to be an excellent candidate for an implantable biosensor or for in situ flow monitoring.The demand for a highly sensitive and selective glucose biosensor which can be used for implantable or on-time monitoring is constantly increasing. In this work, TiO2 nanorods were synthesized in situ on the surface of graphite microfibers to yield TiO2 nanorod/graphite microfiber hybrid electrodes. The TiO2 nanorods not only retain the high activity of the immobilized glucose molecule, but also promote the direct electron transfer process on the electrode surface. As a working electrode in an electrochemical glucose biosensor in a flowing system, the microfiber hybrid electrodes exhibit high sensitivity, selectivity and stability. Due to its simplicity, low cost, high stability, and unique morphology, the TiO2 nanorod/graphite microfiber hybrid electrode is expected to be an excellent candidate for an implantable biosensor or for in situ flow monitoring. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr01360k

Structural and electronic phase transitions of MoTe2 induced by Li ionic gating

NASA Astrophysics Data System (ADS)

Hwang, Jeongwoon; Zhang, Chenxi; Cho, Kyeongjae

2017-12-01

Monolayer MoTe2 has semiconducting and semimetallic phases with small energy difference, and the relative stability is readily reversed by gating. By first-principles calculations, we investigate the changes in atomic structure, electronic structure, and relative stability of two phases induced by Li ionic gating. To model Li ionic gating, we employ two approaches; one is direct adsorption of Li on MoTe2 and the other is introducing non-contacting Li plate over MoTe2. We show phonon instability in H-phase of MoTe2 with increasing the amount of charge transfer from Li, which implies a large electron-phonon coupling in the system resulting in a charge density wave state. Structural distortion is also observed in highly doped T d phase. The transition energy barrier from distorted H phase to distorted T d phase is reduced considerably compared to that of pristine MoTe2.

Layer-by-Layer Assembly of Glucose Oxidase on Carbon Nanotube Modified Electrodes.

PubMed

Suroviec, Alice H

2017-01-01

The use of enzymatically modified electrodes for the detection of glucose or other non-electrochemically active analytes is becoming increasingly common. Direct heterogeneous electron transfer to glucose oxidase has been shown to be kinetically difficult, which is why electron transfer mediators or indirect detection is usually used for monitoring glucose with electrochemical sensors. It has been found, however, that electrodes modified with single or multi-walled carbon nanotubes (CNTs) demonstrate fast heterogeneous electron transfer kinetics as compared to that found for traditional electrodes. Incorporating CNTs into the assembly of electrochemical glucose sensors, therefore, affords the possibility of facile electron transfer to glucose oxidase, and a more direct determination of glucose. This chapter describes the methods used to use CNTs in a layer-by-layer structure along with glucose oxidase to produce an enzymatically modified electrode with high turnover rates, increased stability and shelf-life.

Benefits of Moderate-Z Ablators for Direct-Drive Inertial Confinement Fusion

NASA Astrophysics Data System (ADS)

Lafon, M.; Betti, R.; Anderson, K. S.; Collins, T. J. B.; Skupsky, S.; McKenty, P. W.

2014-10-01

Control of hydrodynamic instabilities and DT-fuel preheating by hot electrons produced by laser-plasma interaction is crucial in inertial confinement fusion. Moderate- Z ablators have been shown to reduce the laser imprinting on target and suppress the generation of hot electrons from the two-plasmon-decay instability. These results have motivated the use of ablators of higher- Z than pure plastic in direct-drive-ignition target designs for the National Ignition Facility (NIF). Two-dimensional radiation-hydrodynamic simulations assess the robustness of these ignition designs to laser imprint and capsule nonuniformities. The complex behavior of the hydrodynamic stability of mid- Z ablators is investigated through single and multimode simulations. A polar-drive configuration is developed within the NIF Laser System specifications for each ablator material. The use of multilayer ablators is also investigated to enhance the hydrodynamic stability. Results indicate that ignition target designs using mid- Z ablators exhibit good hydrodynamic properties, leading to high target gain for direct-drive implosions on the NIF. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944 and the Office of Fusion Energy Sciences Number DE-FG02-04ER54786.

Long-term stability of Cu surface nanotips

NASA Astrophysics Data System (ADS)

Jansson, V.; Baibuz, E.; Djurabekova, F.

2016-07-01

Sharp nanoscale tips on the metal surfaces of electrodes enhance locally applied electric fields. Strongly enhanced electric fields trigger electron field emission and atom evaporation from the apexes of nanotips. Together, these processes may explain electric discharges in the form of small local arcs observed near metal surfaces in the presence of electric fields, even in ultra-high vacuum conditions. In the present work, we investigate the stability of nanoscale tips by means of computer simulations of surface diffusion processes on copper, the main material used in high-voltage electronics. We study the stability and lifetime of thin copper (Cu) surface nanotips at different temperatures in terms of diffusion processes. For this purpose we have developed a surface kinetic Monte Carlo (KMC) model where the jump processes are described by tabulated precalculated energy barriers. We show that tall surface features with high aspect ratios can be fairly stable at room temperature. However, the stability was found to depend strongly on the temperature: 13 nm nanotips with the major axes in the < 110> crystallographic directions were found to flatten down to half of the original height in less than 100 ns at temperatures close to the melting point, whereas no significant change in the height of these nanotips was observed after 10 {{μ }}{{s}} at room temperature. Moreover, the nanotips built up along the < 110> crystallographic directions were found to be significantly more stable than those oriented in the < 100> or < 111> crystallographic directions. The proposed KMC model has been found to be well-suited for simulating atomic surface processes and was validated against molecular dynamics simulation results via the comparison of the flattening times obtained by both methods. We also note that the KMC simulations were two orders of magnitude computationally faster than the corresponding molecular dynamics calculations.

Shift of semimetal-semiconductor bond direction on “0 1 1” to “1 1 1” Bismuth quazi-two-dimension system

NASA Astrophysics Data System (ADS)

Yazdani, Ahmad; Hamreh, Sajad

2018-03-01

The electronic structure of the nanocrystallines and quasi-two-dimensional systems strongly impressed by the thermodynamic- behavior mainly due to excess of hidden surface free energy. Therefore, the stability of crystalline structure’s change could be related to band-offset of bond rupturing of atomic displacements. whereas for the electronic-structure of "Bi" it seams the competition of L.S and bond exchange should be effectively dominated. Besides all of the characters behave spatial like strong sensitive oxidation here it is supposed that strong correlated electronic structure in the absence of oxygen is resulted on direction of redistribution of surface chemical bond formation before any reconstructive structure. Where • The metallic direction of electronic structure “0 1 1” is changed to “1 1 1” semiconductor direction. • the effect of L.S is more evident on the local density of state while it is not observable around the fermi level. • Strong effect of spin-orbit interaction on splitting of the valance to nearly conduction band around the fermi level is more evident.

Angle Resolved Photoelectron and Auger Electron Diffraction as a Structural Probe for Surfaces, Interfaces, and Epitaxial Films.

NASA Astrophysics Data System (ADS)

Li, Hong

The recently developed techniques of angle-resolved photoelectron and Auger electron diffraction (ARXPD/AED) have shown promise in identifying the structures of epitaxial films. This is due to the realization that electrons scattered by other atoms are enhanced along the forward direction. In this dissertation research, we have further investigated the capabilities of the ARXPD/AED technique. First, the complete polar angle distribution of the Auger electron intensity from Cu(001) was measured from the (100) to the (110) azimuth. The presentation of the ARAED in the form of a contour map clearly shows the relationship of the constructive and destructive interference of electron scattering to the crystallographic index of the crystal. Secondly, the angular distributions of electron emissions with initial states of 3p, 3d, 4d, and the Auger emission with electron kinetic energies ranging from 348 eV to 1477 eV were measured for single crystal Ag(001). The results show that all of these electron emissions have similar electron forward scattering enhancements along the directions of nearest and next nearest neighbour atoms in the crystal. The forward scattering enhancements do not shift as the electron kinectic energy changes. The ARXPD/AED combined with low energy electron diffraction (LEED) has been demonstrated to be a very powerful technique in probing both the long range order and the short range order of the epitaxial films. The epitaxial films studied include Co on Cu(001), Fe on Ag(001), Co on Ag(001), and Co on an ultra-thin film of Fe(001), which was epitaxially grown on Ag(001). We find that up to 20 ML thickness of high quality metastable fcc Co can be stabilized on Cu(001) at room temperature. We have directly verified that the Fe on Ag(001) is bcc. The Co on Ag(001) is neither bcc nor fcc for coverages of less than 3 ML. Thick films of Co on Ag(001) are disordered, of which a very small portion has a local structure of bcc. The bcc Co phases has been successfully stabilized on an ultra-thin film of bcc Fe(001). This is the first example of bcc Co epitaxially grown on a metal substrate at room temperature.

Similarity between the response of memristive and memcapacitive circuits subjected to ramped voltage

NASA Astrophysics Data System (ADS)

Kanygin, Mikhail A.; Katkov, Mikhail V.; Pershin, Yuriy V.

2017-07-01

We report a similar feature in the response of resistor-memristor and capacitor-memcapacitor circuits with threshold-type memory devices driven by triangular waveform voltage. In both cases, the voltage across the memory device is stabilized during the switching of the memory device state. While in the memristive circuit this feature is observed when the applied voltage changes in one direction, the memcapacitive circuit with a ferroelectric memcapacitor demonstrates the voltage stabilization effect at both sweep directions. The discovered behavior of capacitor-memcapacitor circuit is also demonstrated experimentally. We anticipate that our observation can be used in the design of electronic circuits with emergent memory devices as well as in the identification and characterization of memory effects in threshold-type memory devices.

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

Quigley, Kevin; Chemerisov, Sergey; Tkac, Peter

Through irradiations using our 3 MeV Van de Graaf accelerator, Argonne is testing the radiation stability of components of equipment that are being used to dispense molybdenum solutions for use as feeds to 99mTc generators and in the 99mTc generators themselves. Components have been irradiated by both a direct electron beam and photons generated from a tungsten convertor.

Structure and Magnetic Properties of Rare Earth Doped Transparent Alumina

NASA Astrophysics Data System (ADS)

Limmer, Krista; Neupane, Mahesh; Chantawansri, Tanya

Recent experimental studies of rare earth (RE) doped alumina suggest that the RE induced novel phase-dependent structural and magnetic properties. Motivated by these efforts, the effects of RE doping of alpha and theta alumina on the local structure, magnetic properties, and phase stability have been examined in this first principles study. Although a direct correlation between the magnetic field dependent materials properties observed experimentally and calculated from first principles is not feasible because of the applied field and the scale, the internal magnetic properties and other properties of the doped materials are evaluated. The RE dopants are shown to increase the substitutional site volume as well as increasingly distort the site structure as a function of ionic radii. Doping both the alpha (stable) and theta (metastable) phases enhanced the relative stability of the theta phase. The energetic doping cost and internal magnetic moment were shown to be a function of the electronic configuration of the RE-dopant, with magnetic moment directly proportional to the number of unpaired electrons and doping cost being inversely related.

Dipole-allowed direct band gap silicon superlattices

PubMed Central

Oh, Young Jun; Lee, In-Ho; Kim, Sunghyun; Lee, Jooyoung; Chang, Kee Joo

2015-01-01

Silicon is the most popular material used in electronic devices. However, its poor optical properties owing to its indirect band gap nature limit its usage in optoelectronic devices. Here we present the discovery of super-stable pure-silicon superlattice structures that can serve as promising materials for solar cell applications and can lead to the realization of pure Si-based optoelectronic devices. The structures are almost identical to that of bulk Si except that defective layers are intercalated in the diamond lattice. The superlattices exhibit dipole-allowed direct band gaps as well as indirect band gaps, providing ideal conditions for the investigation of a direct-to-indirect band gap transition. The fact that almost all structural portions of the superlattices originate from bulk Si warrants their stability and good lattice matching with bulk Si. Through first-principles molecular dynamics simulations, we confirmed their thermal stability and propose a possible method to synthesize the defective layer through wafer bonding. PMID:26656482

Precise through-space control of an abiotic electrophilic aromatic substitution reaction

NASA Astrophysics Data System (ADS)

Murphy, Kyle E.; Bocanegra, Jessica L.; Liu, Xiaoxi; Chau, H.-Y. Katharine; Lee, Patrick C.; Li, Jianing; Schneebeli, Severin T.

2017-04-01

Nature has evolved selective enzymes for the efficient biosynthesis of complex products. This exceptional ability stems from adapted enzymatic pockets, which geometrically constrain reactants and stabilize specific reactive intermediates by placing electron-donating/accepting residues nearby. Here we perform an abiotic electrophilic aromatic substitution reaction, which is directed precisely through space. Ester arms--positioned above the planes of aromatic rings--enable it to distinguish between nearly identical, neighbouring reactive positions. Quantum mechanical calculations show that, in two competing reaction pathways, both [C-H...O]-hydrogen bonding and electrophile preorganization by coordination to a carbonyl group likely play a role in controlling the reaction. These through-space-directed mechanisms are inspired by dimethylallyl tryptophan synthases, which direct biological electrophilic aromatic substitutions by preorganizing dimethylallyl cations and by stabilizing reactive intermediates with [C-H...N]-hydrogen bonding. Our results demonstrate how the third dimension above and underneath aromatic rings can be exploited to precisely control electrophilic aromatic substitutions.

First-principles study of direct and narrow band gap semiconducting β -CuGaO 2

DOE PAGES

Nguyen, Manh Cuong; Zhao, Xin; Wang, Cai-Zhuang; ...

2015-04-16

Semiconducting oxides have attracted much attention due to their great stability in air or water and the abundance of oxygen. Recent success in synthesizing a metastable phase of CuGaO 2 with direct narrow band gap opens up new applications of semiconducting oxides as absorber layer for photovoltaics. Using first-principles density functional theory calculations, we investigate the thermodynamic and mechanical stabilities as well as the structural and electronic properties of the β-CuGaO 2 phase. Our calculations show that the β-CuGaO 2 structure is dynamically and mechanically stable. The energy band gap is confirmed to be direct at the Γ point ofmore » Brillouin zone. In conclusion, the optical absorption occurs right at the band gap edge and the density of states near the valance band maximum is large, inducing an intense absorption of light as observed in experiment.« less

Real-time sub-Ångstrom imaging of reversible and irreversible conformations in rhodium catalysts and graphene

NASA Astrophysics Data System (ADS)

Kisielowski, Christian; Wang, Lin-Wang; Specht, Petra; Calderon, Hector A.; Barton, Bastian; Jiang, Bin; Kang, Joo H.; Cieslinski, Robert

2013-07-01

The dynamic responses of a rhodium catalyst and a graphene sheet are investigated upon random excitation with 80 kV electrons. An extraordinary electron microscope stability and resolution allow studying temporary atom displacements from their equilibrium lattice sites into metastable sites across projected distances as short as 60 pm. In the rhodium catalyst, directed and reversible atom displacements emerge from excitations into metastable interstitial sites and surface states that can be explained by single atom trajectories. Calculated energy barriers of 0.13 eV and 1.05 eV allow capturing single atom trapping events at video rates that are stabilized by the Rh [110] surface corrugation. Molecular dynamics simulations reveal that randomly delivered electrons can also reversibly enhance the sp3 and the sp1 characters of the sp2-bonded carbon atoms in graphene. The underlying collective atom motion can dynamically stabilize characteristic atom displacements that are unpredictable by single atom trajectories. We detect three specific displacements and use two of them to propose a path for the irreversible phase transformation of a graphene nanoribbon into carbene. Collectively stabilized atom displacements greatly exceed the thermal vibration amplitudes described by Debye-Waller factors and their measured dose rate dependence is attributed to tunable phonon contributions to the internal energy of the systems. Our experiments suggest operating electron microscopes with beam currents as small as zepto-amperes/nm2 in a weak-excitation approach to improve on sample integrity and allow for time-resolved studies of conformational object changes that probe for functional behavior of catalytic surfaces or molecules.

Direct Room Temperature Welding and Chemical Protection of Silver Nanowire Thin Films for High Performance Transparent Conductors.

PubMed

Ge, Yongjie; Duan, Xidong; Zhang, Meng; Mei, Lin; Hu, Jiawen; Hu, Wei; Duan, Xiangfeng

2018-01-10

Silver nanowire (Ag-NW) thin films have emerged as a promising next-generation transparent electrode. However, the current Ag-NW thin films are often plagued by high NW-NW contact resistance and poor long-term stability, which can be largely attributed to the ill-defined polyvinylpyrrolidone (PVP) surface ligands and nonideal Ag-PVP-Ag contact at NW-NW junctions. Herein, we report a room temperature direct welding and chemical protection strategy to greatly improve the conductivity and stability of the Ag-NW thin films. Specifically, we use a sodium borohydride (NaBH 4 ) treatment process to thoroughly remove the PVP ligands and produce a clean Ag-Ag interface that allows direct welding of NW-NW junctions at room temperature, thus greatly improving the conductivity of the Ag-NW films, outperforming those obtained by thermal or plasmonic thermal treatment. We further show that, by decorating the as-formed Ag-NW thin film with a dense, hydrophobic dodecanethiol layer, the stability of the Ag-NW film can be greatly improved by 150-times compared with that of PVP-wrapped ones. Our studies demonstrate that a proper surface ligand design can effectively improve the conductivity and stability of Ag-NW thin films, marking an important step toward their applications in electronic and optoelectronic devices.

3D electrostatic gyrokinetic electron and fully kinetic ion simulation of lower-hybrid drift instability of Harris current sheet

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

Wang, Zhenyu; Lin, Yu; Wang, Xueyi

The eigenmode stability properties of three-dimensional lower-hybrid-drift-instabilities (LHDI) in a Harris current sheet with a small but finite guide magnetic field have been systematically studied by employing the gyrokinetic electron and fully kinetic ion (GeFi) particle-in-cell (PIC) simulation model with a realistic ion-to-electron mass ratio m i/m e. In contrast to the fully kinetic PIC simulation scheme, the fast electron cyclotron motion and plasma oscillations are systematically removed in the GeFi model, and hence one can employ the realistic m i/m e. The GeFi simulations are benchmarked against and show excellent agreement with both the fully kinetic PIC simulation and the analytical eigenmode theory. Our studies indicate that, for small wavenumbers, ky, along the current direction, the most unstable eigenmodes are peaked at the location wheremore » $$\\vec{k}$$• $$\\vec{B}$$ =0, consistent with previous analytical and simulation studies. Here, $$\\vec{B}$$ is the equilibrium magnetic field and $$\\vec{k}$$ is the wavevector perpendicular to the nonuniformity direction. As ky increases, however, the most unstable eigenmodes are found to be peaked at $$\\vec{k}$$ •$$\\vec{B}$$ ≠0. Additionally, the simulation results indicate that varying m i/m e, the current sheet width, and the guide magnetic field can affect the stability of LHDI. Simulations with the varying mass ratio confirm the lower hybrid frequency and wave number scalings.« less

3D electrostatic gyrokinetic electron and fully kinetic ion simulation of lower-hybrid drift instability of Harris current sheet

DOE PAGES

Wang, Zhenyu; Lin, Yu; Wang, Xueyi; ...

2016-07-07

The eigenmode stability properties of three-dimensional lower-hybrid-drift-instabilities (LHDI) in a Harris current sheet with a small but finite guide magnetic field have been systematically studied by employing the gyrokinetic electron and fully kinetic ion (GeFi) particle-in-cell (PIC) simulation model with a realistic ion-to-electron mass ratio m i/m e. In contrast to the fully kinetic PIC simulation scheme, the fast electron cyclotron motion and plasma oscillations are systematically removed in the GeFi model, and hence one can employ the realistic m i/m e. The GeFi simulations are benchmarked against and show excellent agreement with both the fully kinetic PIC simulation and the analytical eigenmode theory. Our studies indicate that, for small wavenumbers, ky, along the current direction, the most unstable eigenmodes are peaked at the location wheremore » $$\\vec{k}$$• $$\\vec{B}$$ =0, consistent with previous analytical and simulation studies. Here, $$\\vec{B}$$ is the equilibrium magnetic field and $$\\vec{k}$$ is the wavevector perpendicular to the nonuniformity direction. As ky increases, however, the most unstable eigenmodes are found to be peaked at $$\\vec{k}$$ •$$\\vec{B}$$ ≠0. Additionally, the simulation results indicate that varying m i/m e, the current sheet width, and the guide magnetic field can affect the stability of LHDI. Simulations with the varying mass ratio confirm the lower hybrid frequency and wave number scalings.« less

Palladium-directed self-assembly of multi-titanium(IV)-porphyrin arrays on the substrate surface as sensitive ultrathin films for hydrogen peroxide sensing, photocurrent generation, and photochromism of viologen

NASA Astrophysics Data System (ADS)

He, Wen-Li; Fang, Fang; Ma, Dong-Mei; Chen, Meng; Qian, Dong-Jin; Liu, Minghua

2018-01-01

Multiporphyrin arrays are large, π-conjugated chromophores with high absorption efficiency and strong chemical stability that play an important role in supramolecular and advanced material sciences. Palladium-directed self-assembly of multiporphyrin array ultrathin films was achieved on substrate surfaces using oxo[5,10,15,20-tetra(4-pyridyl)porphyrinato]titanium (IV) complex [TiO(TPyP)] as a linker and sodium tetrachloropalladate (Na2PdCl4) as a connector. The Pd-TiOTPyP films as prepared were characterized by using UV-vis absorption and X-ray photoelectron spectroscopy, as well as by atomic force and scanning electron microscopy. The Soret absorption band of TiOTPyP was observed to red shift by 6 nm when the Pd-TiOTPyP multilayer-modified quartz substrate was immersed in an aqueous solution containing hydrogen peroxide. This was attributed to the formation of a TiO2TPyP monoperoxo complex. This oxidation reaction could be accelerated in an acidic solution. Furthermore, the immobilized Pd-TiOTPyP multilayers could act as light-harvesting units for photocurrent generation and photochromism of viologens, with strong stability, reproducibility, and recyclability. The photocurrent density could be enhanced in electrolyte solutions containing electron donors such as triethanolamine, or electron acceptors such as viologens. Finally, photoinduced reduction (photochromism) of viologens was investigated using the Pd-TiOTPyP multilayers as light sensitizers and EDTA as the electron donors.

Using real-time electron microscopy to explore the effects of transition-metal composition on the local thermal stability in charged Li xNi yMn zCo 1-y-zO 2 cathode materials

DOE PAGES

Hwang, Sooyeon; Kim, Seung Min; Bak, Seong -Min; ...

2015-05-08

In this study, we use in-situ transmission electron microcopy (TEM) to investigate the thermal decomposition that occurs at the surface of charged Li xNi yMn zCo 1-y-zO 2 (NMC) cathode materials of different composition (with y, z=0.8, 0.1 and 0.6, 0.2 and 0.4, 0.3), after they have been charged to their practical upper limit voltage (4.3V). By heating these materials inside the TEM, we are able to directly characterize near surface changes in both their electronic structure (using electron energy loss spectroscopy) and crystal structure and morphology (using electron diffraction and bright-field imaging). The most Ni-rich material (y, z =more » 0.8, 0.1) is found to be thermally unstable at significantly lower temperatures than the other compositions – this is manifested by changes in both the electronic structure and the onset of phase transitions at temperatures as low as 100°C. Electron energy loss spectroscopy indicates that the thermally induced reduction of Ni ions drives these changes, and that this is exacerbated by the presence of an additional redox reaction that occurs at 4.2V in the y, z = 0.8, 0.1 material. Exploration of individual particles shows that there are substantial variations in the onset temperatures and overall extent of these changes. Of the compositions studied, the composition of y, z = 0.6, 0.2 has the optimal combination of high energy density and reasonable thermal stability. The observations herein demonstrate that real time electron microscopy provide direct insight into the changes that occur in cathode materials with temperature, allowing optimization of different alloy concentrations to maximize overall performance.« less

Hydrogen production by Tuning the Photonic Band Gap with the Electronic Band Gap of TiO2

NASA Astrophysics Data System (ADS)

Waterhouse, G. I. N.; Wahab, A. K.; Al-Oufi, M.; Jovic, V.; Anjum, D. H.; Sun-Waterhouse, D.; Llorca, J.; Idriss, H.

2013-10-01

Tuning the photonic band gap (PBG) to the electronic band gap (EBG) of Au/TiO2 catalysts resulted in considerable enhancement of the photocatalytic water splitting to hydrogen under direct sunlight. Au/TiO2 (PBG-357 nm) photocatalyst exhibited superior photocatalytic performance under both UV and sunlight compared to the Au/TiO2 (PBG-585 nm) photocatalyst and both are higher than Au/TiO2 without the 3 dimensionally ordered macro-porous structure materials. The very high photocatalytic activity is attributed to suppression of a fraction of electron-hole recombination route due to the co-incidence of the PBG with the EBG of TiO2 These materials that maintain their activity with very small amount of sacrificial agents (down to 0.5 vol.% of ethanol) are poised to find direct applications because of their high activity, low cost of the process, simplicity and stability.

Three dimensional instabilities of an electron scale current sheet in collisionless magnetic reconnection

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

Jain, Neeraj; Büchner, Jörg; Max Planck Institute for Solar System Research, Justus-Von-Liebig-Weg-3, Göttingen

In collisionless magnetic reconnection, electron current sheets (ECS) with thickness of the order of an electron inertial length form embedded inside ion current sheets with thickness of the order of an ion inertial length. These ECS's are susceptible to a variety of instabilities which have the potential to affect the reconnection rate and/or the structure of reconnection. We carry out a three dimensional linear eigen mode stability analysis of electron shear flow driven instabilities of an electron scale current sheet using an electron-magnetohydrodynamic plasma model. The linear growth rate of the fastest unstable mode was found to drop with themore » thickness of the ECS. We show how the nature of the instability depends on the thickness of the ECS. As long as the half-thickness of the ECS is close to the electron inertial length, the fastest instability is that of a translational symmetric two-dimensional (no variations along flow direction) tearing mode. For an ECS half thickness sufficiently larger or smaller than the electron inertial length, the fastest mode is not a tearing mode any more and may have finite variations along the flow direction. Therefore, the generation of plasmoids in a nonlinear evolution of ECS is likely only when the half-thickness is close to an electron inertial length.« less

Role of topographical defects in organic film growth of 4,4' -biphenyldicarboxylic acid on graphene: A low-energy electron microscopy study

NASA Astrophysics Data System (ADS)

Khokhar, Fawad S.; van Gastel, Raoul; Poelsema, Bene

2010-11-01

We have used low-energy electron microscopy (LEEM) to study the formation of self-assembled molecular networks on graphene sheets. 4,4' -biphenyldicarboxylic acid (BDA) molecular networks were grown using organic molecular beam epitaxy. LEEM images provide direct insight in the growth dynamics and show that defects in the graphene play a crucial role in the final morphology of the molecular film that forms. BDA is demonstrated to form hydrogen bond-stabilized chains on graphene. Dark-field LEEM images reveal that the same defects that determine the morphology of the film, also direct the orientation of the domains, highlighting the importance of understanding the role of defects in epitaxial processes on graphene.

Stabilization of the electron-nuclear spin orientation in quantum dots by the nuclear quadrupole interaction.

PubMed

Dzhioev, R I; Korenev, V L

2007-07-20

The nuclear quadrupole interaction eliminates the restrictions imposed by hyperfine interaction on the spin coherence of an electron and nuclei in a quantum dot. The strain-induced nuclear quadrupole interaction suppresses the nuclear spin flip and makes possible the zero-field dynamic nuclear polarization in self-organized InP/InGaP quantum dots. The direction of the effective nuclear magnetic field is fixed in space, thus quenching the magnetic depolarization of the electron spin in the quantum dot. The quadrupole interaction suppresses the zero-field electron spin decoherence also for the case of nonpolarized nuclei. These results provide a new vision of the role of the nuclear quadrupole interaction in nanostructures: it elongates the spin memory of the electron-nuclear system.

Stabilization of the Electron-Nuclear Spin Orientation in Quantum Dots by the Nuclear Quadrupole Interaction

NASA Astrophysics Data System (ADS)

Dzhioev, R. I.; Korenev, V. L.

2007-07-01

The nuclear quadrupole interaction eliminates the restrictions imposed by hyperfine interaction on the spin coherence of an electron and nuclei in a quantum dot. The strain-induced nuclear quadrupole interaction suppresses the nuclear spin flip and makes possible the zero-field dynamic nuclear polarization in self-organized InP/InGaP quantum dots. The direction of the effective nuclear magnetic field is fixed in space, thus quenching the magnetic depolarization of the electron spin in the quantum dot. The quadrupole interaction suppresses the zero-field electron spin decoherence also for the case of nonpolarized nuclei. These results provide a new vision of the role of the nuclear quadrupole interaction in nanostructures: it elongates the spin memory of the electron-nuclear system.

Direct laser immobilization of photosynthetic material on screen printed electrodes for amperometric biosensor

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

Boutopoulos, Christos; Zergioti, Ioanna; Touloupakis, Eleftherios

This letter demonstrates the direct laser printing of photosynthetic material onto low cost nonfunctionalized screen printed electrodes for the fabrication of photosynthesis-based amperometric biosensors. The high kinetic energy of the transferred material induces direct immobilization of the thylakoids onto the electrodes without the use of linkers. This type of immobilization is able to establish efficient electrochemical contact between proteins and electrode, stabilizing the photosynthetic biomolecule and transporting electrons to the solid state device with high efficiency. The functionality of the laser printed biosensors was evaluated by the detection of a common herbicide such as Linuron.

Q-Band Electron-Nuclear Double Resonance Reveals Out-of-Plane Hydrogen Bonds Stabilize an Anionic Ubisemiquinone in Cytochrome bo3 from Escherichia coli.

PubMed

Sun, Chang; Taguchi, Alexander T; Vermaas, Josh V; Beal, Nathan J; O'Malley, Patrick J; Tajkhorshid, Emad; Gennis, Robert B; Dikanov, Sergei A

2016-10-11

The respiratory cytochrome bo 3 ubiquinol oxidase from Escherichia coli has a high-affinity ubiquinone binding site that stabilizes the one-electron reduced ubisemiquinone (SQ H ), which is a transient intermediate during the electron-mediated reduction of O 2 to water. It is known that SQ H is stabilized by two strong hydrogen bonds from R71 and D75 to ubiquinone carbonyl oxygen O1 and weak hydrogen bonds from H98 and Q101 to O4. In this work, SQ H was investigated with orientation-selective Q-band (∼34 GHz) pulsed 1 H electron-nuclear double resonance (ENDOR) spectroscopy on fully deuterated cytochrome (cyt) bo 3 in a H 2 O solvent so that only exchangeable protons contribute to the observed ENDOR spectra. Simulations of the experimental ENDOR spectra provided the principal values and directions of the hyperfine (hfi) tensors for the two strongly coupled H-bond protons (H1 and H2). For H1, the largest principal component of the proton anisotropic hfi tensor T z' = 11.8 MHz, whereas for H2, T z' = 8.6 MHz. Remarkably, the data show that the direction of the H1 H-bond is nearly perpendicular to the quinone plane (∼70° out of plane). The orientation of the second strong hydrogen bond, H2, is out of plane by ∼25°. Equilibrium molecular dynamics simulations on a membrane-embedded model of the cyt bo 3 Q H site show that these H-bond orientations are plausible but do not distinguish which H-bond, from R71 or D75, is nearly perpendicular to the quinone ring. Density functional theory calculations support the idea that the distances and geometries of the H-bonds to the ubiquinone carbonyl oxygens, along with the measured proton anisotropic hfi couplings, are most compatible with an anionic (deprotonated) ubisemiquinone.

Carbon materials for enhancing charge transport in the advancements of perovskite solar cells

NASA Astrophysics Data System (ADS)

Hu, Ruiyuan; Chu, Liang; Zhang, Jian; Li, Xing'ao; Huang, Wei

2017-09-01

Organic-inorganic halide perovskite solar cells (PSCs) have become a new favorite in the photovoltaic field, due to the boosted efficiency up to 22.1%. Despite a flow of achievements, there are certain challenges to simultaneously meet high efficiency, large scale, low cost and high stability. Due to the low cost, extensive sources, high electrical conductivity and chemical stability, carbon materials have made undeniable contributions to play positive roles in developing PSCs. Carbon materials not only have the favorable conductivity but also bipolar advantage, which can transfer both electrons and holes. In this review, we will discuss how the carbon materials transfer charge or accelerate charge transport by incorporation in PSCs. Carbon materials can replace transparent conductive oxide layers, and enhance electron transport in electron transport layers. Moreover, carbon materials with continuous structure, especially carbon nanotubes and graphene, can provide direct charge transport channel that make them suitable additives or even substitutes in hole transport layers. Especially, the successful application of carbon materials as counter electrodes makes the devices full-printable, low temperature and high stability. Finally, a brief outlook is provided on the future development of carbon materials for PSCs, which are expected to devote more contributions in the future photovoltaic market.

Structural stability and electronic behaviors of Co1-xOsxSi and macroscopic magnetic susceptibilities of CoSi and OsSi: GGA-PBEsol, GW-approximation and QTAIM investigations

NASA Astrophysics Data System (ADS)

Bouafia, H.; Sahli, B.; Timaoui, M. A.; Djebour, B.; Hiadsi, S.; Abidri, B.

2018-02-01

The present work represents a theoretical investigation based on FP-(L)APW + lo method of structural properties, mechanical stability and electronic properties of Co1-xOsxSi as well as the macroscopic magnetic susceptibilities of CoSi and OsSi. The structural properties such as cell parameter, bulk modulus, internal parameters and total energy of non-magnetic NM, ferromagnetic FM and antiferromagnetic AFM phases were predicted by GGA-PBEsol semilocal functional. The obtained results for CoSi and OsSi are in good agreement with those found previously. The spin, orbital and total macroscopic magnetic susceptibilities of CoSi and OsSi have been estimated and confirmed that these compounds are diamagnetic. The total energy of the ferromagnetic phase of Co1-xOsxSi (with x = 0.25, 0.5 and 0.75) is the lowest indicating that they are ferromagnetic materials. The generalized stability criteria indicate that Co1-xOsxSi maintain their mechanical stabilities under a hydrostatic pressure less than 10 GPa. The electronic properties calculated by GW-approximation indicate that CoSi and Co1-xOsxSi (with x = 0.25, 0.50 and 0.75) are semimetals whereas OsSi is a semiconductor with a pseudo-direct band-gap. The topological analysis by QTAIM and the charge density plots indicate that the strong covalent character is predominant for Cosbnd Si, Ossbnd Si and Cosbnd Os bonds.

Dipole and Coulomb forces in electron capture dissociation and electron transfer dissociation mass spectroscopy.

PubMed

Świerszcz, Iwona; Skurski, Piotr; Simons, Jack

2012-02-23

Ab initio electronic structure calculations were performed on a doubly charged polypeptide model H(+)-Lys(Ala)(19)-CO-CH(NH(2))-CH(2)-SS-CH(2)-(NH(2))CH-CO-(Ala)(19)-Lys-H(+) consisting of a C-terminal protonated Lys followed by a 19-Ala α-helix with a 20th Ala-like unit whose side chain is linked by a disulfide bond to a corresponding Ala-like unit connected to a second 19-Ala α-helix terminated by a second C-terminal-protonated Lys. The Coulomb potentials arising from the two charged Lys residues and dipole potentials arising from the two oppositely directed 72 D dipoles of the α-helices act to stabilize the SS bond's σ* orbital. The Coulomb potentials provide stabilization of 1 eV, while the two large dipoles generate an additional 4 eV. Such stabilization allows the SS σ* orbital to attach an electron and thereby generate disulfide bond cleavage products. Although calculations are performed only on SS bond cleavage, discussion of N-C(α) bond cleavage caused by electron attachment to amide π* orbitals is also presented. The magnitudes of the stabilization energies as well as the fact that they arise from Coulomb and dipole potentials are supported by results on a small model system consisting of a H(3)C-SS-CH(3) molecule with positive and negative fractional point charges to its left and right designed to represent (i) two positive charges ca. 32 Å distant (i.e., the two charged Lys sites of the peptide model) and (ii) two 72 D dipoles (i.e., the two α-helices). Earlier workers suggested that internal dipole forces in polypeptides could act to guide incoming free electrons (i.e., in electron capture dissociation (ECD)) toward the positive end of the dipole and thus affect the branching ratios for cleaving various bonds. Those workers argued that, because of the huge mass difference between an anion donor and a free electron, internal dipole forces would have a far smaller influence over the trajectory of a donor (i.e., in electron transfer dissociation (ETD)). The present findings suggest that, in addition to their effects on guiding electron or donor trajectories, dipole potentials (in combination with Coulomb potentials) also alter the energies of SS σ* and amide π* orbitals, which then affects the ability of these orbitals to bind an electron. Thus, both by trajectory-guiding and by orbital energy stabilization, Coulomb and dipole potentials can have significant influences on the branching ratios of ECD and ETC in which disulfide or N-C(α) bonds are cleaved. © 2012 American Chemical Society

Sol-gel coated ion sources for liquid chromatography-direct electron ionization mass spectrometry.

PubMed

Riboni, Nicolò; Magrini, Laura; Bianchi, Federica; Careri, Maria; Cappiello, Achille

2017-07-25

Advances in interfacing liquid chromatography and electron ionization mass spectrometry are presented. New ion source coatings synthesized by sol-gel technology were developed and tested as vaporization surfaces in terms of peak intensity, peak width and peak delay for the liquid chromatography-direct electron ionization mass spectrometry (Direct-EI) determination of environmental pollutants like polycyclic aromatic hydrocarbons and steroids. Silica-, titania-, and zirconia-based coatings were sprayed inside the stainless steel ion source and characterized in terms of thermal stability, film thickness and morphology. Negligible weight losses until 350-400 °C were observed for all the materials, with coating thicknesses in the 6 (±1)-11 (±2) μm range for optimal ionization process. The best performances in terms of both peak intensity and peak width were obtained by using the silica-based coating: the detection of the investigated compounds was feasible at low ng μl -1 levels with a good precision (RSD < 9% for polycyclic aromatic hydrocarbons and <11% for hormones). Copyright © 2017 Elsevier B.V. All rights reserved.

Creation of artificial skyrmions and antiskyrmions by anisotropy engineering

NASA Astrophysics Data System (ADS)

Zhang, S.; Petford-Long, A. K.; Phatak, C.

2016-08-01

Topologically non-trivial spin textures form a fundamental paradigm in solid-state physics and present unique opportunities to explore exciting phenomena such as the topological Hall effect. One such texture is a skyrmion, in which the spins can be mapped to point in all directions wrapping around a sphere. Understanding the formation of these spin textures, and their energetic stability, is crucial in order to control their behavior. In this work, we report on controlling the perpendicular anisotropy of continuous Co/Pt multilayer films with ion irradiation to form unique spin configurations of artificial skyrmions and antiskyrmions that are stabilized by their demagnetization energy. We elucidate their behavior using aberration-corrected Lorentz transmission electron microscopy. We also discuss the energetic stability of these structures studied through in-situ magnetizing experiments performed at room temperature, combined with micromagnetic simulations that successfully reproduce the spin textures and behavior. This research offers new opportunities towards creation of artificial skyrmion or antiskyrmion lattices that can be used to investigate not only fundamental properties of their interaction with electron currents but also technological applications such as artificial magnonic crystals.

Conformational Space and Stability of ETD Charge Reduction Products of Ubiquitin

NASA Astrophysics Data System (ADS)

Lermyte, Frederik; Łącki, Mateusz Krzysztof; Valkenborg, Dirk; Gambin, Anna; Sobott, Frank

2017-01-01

Owing to its versatility, electron transfer dissociation (ETD) has become one of the most commonly utilized fragmentation techniques in both native and non-native top-down mass spectrometry. However, several competing reactions—primarily different forms of charge reduction—occur under ETD conditions, as evidenced by the distorted isotope patterns usually observed. In this work, we analyze these isotope patterns to compare the stability of nondissociative electron transfer (ETnoD) products, specifically noncovalent c/ z fragment complexes, across a range of ubiquitin conformational states. Using ion mobility, we find that more extended states are more prone to fragment release. We obtain evidence that for a given charge state, populations of ubiquitin ions formed either directly by electrospray ionization or through collapse of more extended states upon charge reduction, span a similar range of collision cross-sections. Products of gas-phase collapse are, however, less stabilized towards unfolding than the native conformation, indicating that the ions retain a memory of previous conformational states. Furthermore, this collapse of charge-reduced ions is promoted if the ions are `preheated' using collisional activation, with possible implications for the kinetics of gas-phase compaction.

NDI and DAN DNA: nucleic acid-directed assembly of NDI and DAN.

PubMed

Ikkanda, Brian A; Samuel, Stevan A; Iverson, Brent L

2014-03-07

Two novel DNA base surrogate phosphoramidites 1 and 2, based upon relatively electron-rich 1,5-dialkoxynaphthalene (DAN) and relatively electron-deficient 1,4,5,8-naphthalenetetracarboxylic diimide (NDI), respectively, were designed, synthesized, and incorporated into DNA oligonucleotide strands. The DAN and NDI artificial DNA bases were inserted within a three-base-pair region within the interior of a 12-mer oligonucleotide duplex in various sequential arrangements and investigated with CD spectroscopy and UV melting curve analysis. The CD spectra of the modified duplexes indicated B-form DNA topology. Melting curve analyses revealed trends in DNA duplex stability that correlate with the known association of DAN and NDI moieties in aqueous solution as well as the known favorable interactions between NDI and natural DNA base pairs. This demonstrates that DNA duplex stability and specificity can be driven by the electrostatic complementarity between DAN and NDI. In the most favorable case, an NDI-DAN-NDI arrangement in the middle of the DNA duplex was found to be approximately as stabilizing as three A-T base pairs.

Thermally induced texture flip in semiconducting polymer stabilized by epitaxial relationship

NASA Astrophysics Data System (ADS)

O'Hara, Kathryn A.; Pokuri, Balaji S. S.; Takacs, Christopher J.; Beaujuge, Pierre M.; Ganapathysubramanian, Baskar; Chabinyc, Michael L.

The morphology of semiconducting polymer films has a large effect on the charge transport properties. Charges can move easily along the conjugated backbone and in the pi-pi stacking direction. However, transport through the film is determined by the connectivity between domains, which is not well understood. We previously observed quadrites in the polymer, PSBTBT, and proposed that the preferential overlap between lamellae may improve connectivity and provide an additional conduction pathway. Now, the presence of quadrites is revealed in another successful donor polymer, PBDTTPD, using high resolution transmission electron microscopy (HRTEM). A study of how side-chain substitution affects the epitaxial crossing is conducted by examining several PBDTTPD derivatives. The stability of the film texture with annealing is also examined as a function of quadrite formation. It has been shown that heating some semicrystalline polymers above the melting temperature and slow cooling can flip the lamellar texture from face-on to edge-on. We hypothesize that the orientation of lamellar crystallites in PBDTTPD films is stabilized by the epitaxial overlap between adjacent crystalline domains. This may have important implications for the electronic transport properties.

Determination of Flux-Gate Magnetometer Spin Axis Offsets with the Electron Drift Instrument

NASA Astrophysics Data System (ADS)

Plaschke, Ferdinand; Nakamura, Rumi; Giner, Lukas; Teubenbacher, Robert; Chutter, Mark; Leinweber, Hannes K.; Magnes, Werner

2014-05-01

Spin-stabilization of spacecraft enormously supports the in-flight calibration of onboard flux-gate magnetometers (FGMs): eight out of twelve calibration parameters can be determined by minimization of spin tone and harmonics in the calibrated magnetic field measurements. From the remaining four parameters, the spin axis offset is usually obtained by analyzing observations of Alfvénic fluctuations in the solar wind. If solar wind measurements are unavailable, other methods for spin axis offset determination need to be used. We present two alternative methods that are based on the comparison of FGM and electron drift instrument (EDI) data: (1) EDI measures the gyration periods of instrument-emitted electrons in the ambient magnetic field. They are inversely proportional to the magnetic field strength. Differences between FGM and EDI measured field strengths can be attributed to inaccuracies in spin axis offset, if the other calibration parameters are accurately known. (2) For EDI electrons to return to the spacecraft, they have to be sent out in perpendicular direction to the ambient magnetic field. Minimization of the variance of electron beam directions with respect to the FGM-determined magnetic field direction also yields an estimate of the spin axis offset. Prior to spin axis offset determination, systematic inaccuracies in EDI gyration period measurements and in the transformation of EDI beam directions into the FGM spin-aligned reference coordinate system have to be corrected. We show how this can be done by FGM/EDI data comparison, as well.

From few-cycle femtosecond pulse to single attosecond pulse-controlling and tracking electron dynamics with attosecond precision

NASA Astrophysics Data System (ADS)

Wang, He

The few-cycle femtosecond laser pulse has proved itself to be a powerful tool for controlling the electron dynamics inside atoms and molecules. By applying such few-cycle pulses as a driving field, single isolated attosecond pulses can be produced through the high-order harmonic generation process, which provide a novel tool for capturing the real time electron motion. The first part of the thesis is devoted to the state of the art few-cycle near infrared (NIR) laser pulse development, which includes absolute phase control (carrier-envelope phase stabilization), amplitude control (power stabilization), and relative phase control (pulse compression and shaping). Then the double optical gating (DOG) method for generating single attosecond pulses and the attosecond streaking experiment for characterizing such pulses are presented. Various experimental limitations in the attosecond streaking measurement are illustrated through simulation. Finally by using the single attosecond pulses generated by DOG, an attosecond transient absorption experiment is performed to study the autoionization process of argon. When the delay between a few-cycle NIR pulse and a single attosecond XUV pulse is scanned, the Fano resonance shapes of the argon autoionizing states are modified by the NIR pulse, which shows the direct observation and control of electron-electron correlation in the temporal domain.

Effect of the magnetic field on measurements of the electron density and temperature by cylindrical probes in the Earth's ionosphere

NASA Astrophysics Data System (ADS)

Gubsky, V. F.

2009-12-01

In the 1960s and 1970s, quite simply produced cylindrical Langmuir probes were used in the USSR both on satellites (Kosmos-378, Intercosmos-2, -4, -8, -10, -19) and to measure the electron density and temperature on vertical launched rockets (Vertical’-4, -6, -10) within the Intercosmos program. These measurements were first made at middle latitudes. With increasing inclination of the orbits of launched satellites (satellites had no stabilization), falling sections were sometimes observed on probe characteristics in the electron saturation region. The Intercosmos-Bulgaria-1300 satellite, which was stabilized along three axes and was equipped with a cylindrical probe whose longitudinal axis was always directed downward to the Earth, was launched in 1981. This satellite allowed definite conclusions on the effect of the geomagnetic field on the form of the probe characteristic and, hence, on the determination of the electron density and temperature. Probe characteristics with falling sections are presented. These measurements are compared with those performed in a laboratory plasma. The appearance of negative sections on the probe characteristics is shown to be due to the effect of the geomagnetic field. The degree of this effect depends both on the electron density and temperature and on the probe voltage.

Dendronic trimaltoside amphiphiles (DTMs) for membrane protein study† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc03700g

PubMed Central

Sadaf, Aiman; Du, Yang; Santillan, Claudia; Mortensen, Jonas S.; Molist, Iago; Seven, Alpay B.; Hariharan, Parameswaran; Skiniotis, Georgios; Loland, Claus J.; Kobilka, Brian K.; Guan, Lan; Byrne, Bernadette

2017-01-01

The critical contribution of membrane proteins in normal cellular function makes their detailed structure and functional analysis essential. Detergents, amphipathic agents with the ability to maintain membrane proteins in a soluble state in aqueous solution, have key roles in membrane protein manipulation. Structural and functional stability is a prerequisite for biophysical characterization. However, many conventional detergents are limited in their ability to stabilize membrane proteins, making development of novel detergents for membrane protein manipulation an important research area. The architecture of a detergent hydrophobic group, that directly interacts with the hydrophobic segment of membrane proteins, is a key factor in dictating their efficacy for both membrane protein solubilization and stabilization. In the current study, we developed two sets of maltoside-based detergents with four alkyl chains by introducing dendronic hydrophobic groups connected to a trimaltoside head group, designated dendronic trimaltosides (DTMs). Representative DTMs conferred enhanced stabilization to multiple membrane proteins compared to the benchmark conventional detergent, DDM. One DTM (i.e., DTM-A6) clearly outperformed DDM in stabilizing human β2 adrenergic receptor (β2AR) and its complex with Gs protein. A further evaluation of this DTM led to a clear visualization of β2AR-Gs complex via electron microscopic analysis. Thus, the current study not only provides novel detergent tools useful for membrane protein study, but also suggests that the dendronic architecture has a role in governing detergent efficacy for membrane protein stabilization. PMID:29619178

Engineering of band gap states of amorphous SiZnSnO semiconductor as a function of Si doping concentration.

PubMed

Choi, Jun Young; Heo, Keun; Cho, Kyung-Sang; Hwang, Sung Woo; Kim, Sangsig; Lee, Sang Yeol

2016-11-04

We investigated the band gap of SiZnSnO (SZTO) with different Si contents. Band gap engineering of SZTO is explained by the evolution of the electronic structure, such as changes in the band edge states and band gap. Using ultraviolet photoelectron spectroscopy (UPS), it was verified that Si atoms can modify the band gap of SZTO thin films. Carrier generation originating from oxygen vacancies can modify the band-gap states of oxide films with the addition of Si. Since it is not easy to directly derive changes in the band gap states of amorphous oxide semiconductors, no reports of the relationship between the Fermi energy level of oxide semiconductor and the device stability of oxide thin film transistors (TFTs) have been presented. The addition of Si can reduce the total density of trap states and change the band-gap properties. When 0.5 wt% Si was used to fabricate SZTO TFTs, they showed superior stability under negative bias temperature stress. We derived the band gap and Fermi energy level directly using data from UPS, Kelvin probe, and high-resolution electron energy loss spectroscopy analyses.

Direct electrochemistry of glucose oxidase and biosensing for glucose based on carbon nanotubes@SnO(2)-Au composite.

PubMed

Li, Fenghua; Song, Jixia; Li, Fei; Wang, Xiaodan; Zhang, Qixian; Han, Dongxue; Ivaska, Ari; Niu, Li

2009-12-15

Multiwalled carbon nanotubes@SnO(2)-Au (MWCNTs@SnO(2)-Au) composite was synthesized by a chemical route. The structure and composition of the MWCNTs@SnO(2)-Au composite were confirmed by means of transmission electron microscopy, X-ray photoelectron and Raman spectroscopy. Due to the good electrocatalytic property of MWCNTs@SnO(2)-Au composite, a glucose biosensor was constructed by absorbing glucose oxidase (GOD) on the hybrid material. A direct electron transfer process is observed at the MWCNTs@SnO(2)-Au/GOD-modified glassy carbon electrode. The glucose biosensor has a linear range from 4.0 to 24.0mM, which is suitable for glucose determination by real samples. It should be worthwhile noting that, from 4.0 to 12.0mM, the cathodic peak currents of the biosensor decrease linearly with increasing the glucose concentrations in human blood. Meanwhile, the resulting biosensor can also prevent the effects of interfering species. Moreover, the biosensor exhibits satisfying reproducibility, good operational stability and storage stability. Therefore, the MWCNTs@SnO(2)-Au/GOD biocomposite could be promisingly applied to determine blood sugar concentration in the practical clinical analysis.

Engineering of band gap states of amorphous SiZnSnO semiconductor as a function of Si doping concentration

PubMed Central

Choi, Jun Young; Heo, Keun; Cho, Kyung-Sang; Hwang, Sung Woo; Kim, Sangsig; Lee, Sang Yeol

2016-01-01

We investigated the band gap of SiZnSnO (SZTO) with different Si contents. Band gap engineering of SZTO is explained by the evolution of the electronic structure, such as changes in the band edge states and band gap. Using ultraviolet photoelectron spectroscopy (UPS), it was verified that Si atoms can modify the band gap of SZTO thin films. Carrier generation originating from oxygen vacancies can modify the band-gap states of oxide films with the addition of Si. Since it is not easy to directly derive changes in the band gap states of amorphous oxide semiconductors, no reports of the relationship between the Fermi energy level of oxide semiconductor and the device stability of oxide thin film transistors (TFTs) have been presented. The addition of Si can reduce the total density of trap states and change the band-gap properties. When 0.5 wt% Si was used to fabricate SZTO TFTs, they showed superior stability under negative bias temperature stress. We derived the band gap and Fermi energy level directly using data from UPS, Kelvin probe, and high-resolution electron energy loss spectroscopy analyses. PMID:27812035

Systematic Evaluation of Bioorthogonal Reactions in Live Cells with Clickable HaloTag Ligands: Implications for Intracellular Imaging

PubMed Central

2015-01-01

Bioorthogonal reactions, including the strain-promoted azide–alkyne cycloaddition (SPAAC) and inverse electron demand Diels–Alder (iEDDA) reactions, have become increasingly popular for live-cell imaging applications. However, the stability and reactivity of reagents has never been systematically explored in the context of a living cell. Here we report a universal, organelle-targetable system based on HaloTag protein technology for directly comparing bioorthogonal reagent reactivity, specificity, and stability using clickable HaloTag ligands in various subcellular compartments. This system enabled a detailed comparison of the bioorthogonal reactions in live cells and informed the selection of optimal reagents and conditions for live-cell imaging studies. We found that the reaction of sTCO with monosubstituted tetrazines is the fastest reaction in cells; however, both reagents have stability issues. To address this, we introduced a new variant of sTCO, Ag-sTCO, which has much improved stability and can be used directly in cells for rapid bioorthogonal reactions with tetrazines. Utilization of Ag complexes of conformationally strained trans-cyclooctenes should greatly expand their usefulness especially when paired with less reactive, more stable tetrazines. PMID:26270632

Systematic Evaluation of Bioorthogonal Reactions in Live Cells with Clickable HaloTag Ligands: Implications for Intracellular Imaging.

PubMed

Murrey, Heather E; Judkins, Joshua C; Am Ende, Christopher W; Ballard, T Eric; Fang, Yinzhi; Riccardi, Keith; Di, Li; Guilmette, Edward R; Schwartz, Joel W; Fox, Joseph M; Johnson, Douglas S

2015-09-09

Bioorthogonal reactions, including the strain-promoted azide-alkyne cycloaddition (SPAAC) and inverse electron demand Diels-Alder (iEDDA) reactions, have become increasingly popular for live-cell imaging applications. However, the stability and reactivity of reagents has never been systematically explored in the context of a living cell. Here we report a universal, organelle-targetable system based on HaloTag protein technology for directly comparing bioorthogonal reagent reactivity, specificity, and stability using clickable HaloTag ligands in various subcellular compartments. This system enabled a detailed comparison of the bioorthogonal reactions in live cells and informed the selection of optimal reagents and conditions for live-cell imaging studies. We found that the reaction of sTCO with monosubstituted tetrazines is the fastest reaction in cells; however, both reagents have stability issues. To address this, we introduced a new variant of sTCO, Ag-sTCO, which has much improved stability and can be used directly in cells for rapid bioorthogonal reactions with tetrazines. Utilization of Ag complexes of conformationally strained trans-cyclooctenes should greatly expand their usefulness especially when paired with less reactive, more stable tetrazines.

Highly stretchable and ultrathin nanopaper composites for epidermal strain sensors.

PubMed

Sun, Jingyao; Zhao, Yanan; Yang, Zhaogang; Shen, Jingjing; Cabrera, Eusebio; Lertola, Matthew J; Yang, Willie; Zhang, Dan; Benatar, Avi; Castro, Jose M; Wu, Daming; Lee, L James

2018-08-31

Multifunctional electronics are attracting great interest with the increasing demand and fast development of wearable electronic devices. Here, we describe an epidermal strain sensor based on an all-carbon conductive network made from multi-walled carbon nanotubes (MWCNTs) impregnated with poly(dimethyl siloxane) (PDMS) matrix through a vacuum filtration process. An ultrasonication treatment was performed to complete the penetration of PDMS resin in seconds. The entangled and overlapped MWCNT network largely enhances the electrical conductivity (1430 S m -1 ), uniformity (remaining stable on different layers), reliable sensing range (up to 80% strain), and cyclic stability of the strain sensor. The homogeneous dispersion of MWCNTs within the PDMS matrix leads to a strong interaction between the two phases and greatly improves the mechanical stability (ca. 160% strain at fracture). The flexible, reversible and ultrathin (<100 μm) film can be directly attached on human skin as epidermal strain sensors for high accuracy and real-time human motion detection.

Quantifying the Impact of Nanoparticle Coatings and Non-uniformities on XPS Analysis: Gold/silver Core-shell Nanoparticles

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

Wang, Yung-Chen Andrew; Engelhard, Mark H.; Baer, Donald R.

2016-03-07

Abstract or short description: Spectral modeling of photoelectrons can serve as a valuable tool when combined with X-ray photoelectron spectroscopy (XPS) analysis. Herein, a new version of the NIST Simulation of Electron Spectra for Surface Analysis (SESSA 2.0) software, capable of directly simulating spherical multilayer NPs, was applied to model citrate stabilized Au/Ag-core/shell nanoparticles (NPs). The NPs were characterized using XPS and scanning transmission electron microscopy (STEM) to determine the composition and morphology of the NPs. The Au/Ag-core/shell NPs were observed to be polydispersed in size, non-circular, and contain off-centered Au-cores. Using the average NP dimensions determined from STEM analysis,more » SESSA spectral modeling indicated that washed Au/Ag-core shell NPs were stabilized with a 0.8 nm l« less

Direct synthesis of few-layer graphene supported platinum nanocatalyst for methanol oxidation

NASA Astrophysics Data System (ADS)

Tan, Hong; Ma, Xiaohui; Sheng, Leimei; An, Kang; Yu, Liming; Zhao, Hongbin; Xu, Jiaqiang; Ren, Wei; Zhao, Xinluo

2014-11-01

High-crystalline few-layer graphene supported Pt nanoparticles have been synthesized by arc discharge evaporation of carbon electrodes containing Pt element. A high-temperature treatment under hydrogen atmosphere has been carried out to obtain a new type of Pt/graphene catalyst for methanol oxidation in direct methanol fuel cell. The morphology and structure characterizations of as-grown few-layer graphene supported Pt nanoparticles and Pt/graphene catalysts have been studied by Raman spectroscopy, scanning electron microscopy with energy-dispersive spectroscopy, and high-resolution transmission electron microscopy. Cyclic voltammograms and chronoamperometric curves show that our present Pt/graphene catalysts have larger current density for methanol oxidation, higher tolerance to carbon monoxide poisoning, and better stability during the operating procedure, compared to commercial Pt/C catalysts.

Prolonged photo-carriers generated in a massive-and-anisotropic Dirac material.

PubMed

Nurmamat, Munisa; Ishida, Yukiaki; Yori, Ryohei; Sumida, Kazuki; Zhu, Siyuan; Nakatake, Masashi; Ueda, Yoshifumi; Taniguchi, Masaki; Shin, Shik; Akahama, Yuichi; Kimura, Akio

2018-06-13

Transient electron-hole pairs generated in semiconductors can exhibit unconventional excitonic condensation. Anisotropy in the carrier mass is considered as the key to elongate the life time of the pairs, and hence to stabilize the condensation. Here we employ time- and angle-resolved photoemission spectroscopy to explore the dynamics of photo-generated carriers in black phosphorus. The electronic structure above the Fermi level has been successfully observed, and a massive-and-anisotropic Dirac-type dispersions are confirmed; more importantly, we directly observe that the photo-carriers generated across the direct band gap have the life time exceeding 400 ps. Our finding confirms that black phosphorus is a suitable platform for excitonic condensations, and also open an avenue for future applications in broadband mid-infrared BP-based optoelectronic devices.

First principles study of structural, vibrational and electronic properties of graphene-like MX 2 (M=Mo, Nb, W, Ta; X=S, Se, Te) monolayers

NASA Astrophysics Data System (ADS)

Ding, Yi; Wang, Yanli; Ni, Jun; Shi, Lin; Shi, Siqi; Tang, Weihua

2011-05-01

Using first principles calculations, we investigate the structural, vibrational and electronic structures of the monolayer graphene-like transition-metal dichalcogenide (MX 2) sheets. We find the lattice parameters and stabilities of the MX 2 sheets are mainly determined by the chalcogen atoms, while the electronic properties depend on the metal atoms. The NbS 2 and TaS 2 sheets have comparable energetic stabilities to the synthesized MoS 2 and WS 2 ones. The molybdenum and tungsten dichalcogenide (MoX 2 and WX 2) sheets have similar lattice parameters, vibrational modes, and electronic structures. These analogies also exist between the niobium and tantalum dichalcogenide (NbX 2 and TaX 2) sheets. However, the NbX 2 and TaX 2 sheets are metals, while the MoX 2 and WX 2 ones are semiconductors with direct-band gaps. When the Nb and Ta atoms are doped into the MoS 2 and WS 2 sheets, a semiconductor-to-metal transition occurs. Comparing to the bulk compounds, these monolayer sheets have similar structural parameters and properties, but their vibrational and electronic properties are varied and have special characteristics. Our results suggest that the graphene-like MX 2 sheets have potential applications in nano-electronics and nano-devices.

Strongly correlated perovskite fuel cells

NASA Astrophysics Data System (ADS)

Zhou, You; Guan, Xiaofei; Zhou, Hua; Ramadoss, Koushik; Adam, Suhare; Liu, Huajun; Lee, Sungsik; Shi, Jian; Tsuchiya, Masaru; Fong, Dillon D.; Ramanathan, Shriram

2016-06-01

Fuel cells convert chemical energy directly into electrical energy with high efficiencies and environmental benefits, as compared with traditional heat engines. Yttria-stabilized zirconia is perhaps the material with the most potential as an electrolyte in solid oxide fuel cells (SOFCs), owing to its stability and near-unity ionic transference number. Although there exist materials with superior ionic conductivity, they are often limited by their ability to suppress electronic leakage when exposed to the reducing environment at the fuel interface. Such electronic leakage reduces fuel cell power output and the associated chemo-mechanical stresses can also lead to catastrophic fracture of electrolyte membranes. Here we depart from traditional electrolyte design that relies on cation substitution to sustain ionic conduction. Instead, we use a perovskite nickelate as an electrolyte with high initial ionic and electronic conductivity. Since many such oxides are also correlated electron systems, we can suppress the electronic conduction through a filling-controlled Mott transition induced by spontaneous hydrogen incorporation. Using such a nickelate as the electrolyte in free-standing membrane geometry, we demonstrate a low-temperature micro-fabricated SOFC with high performance. The ionic conductivity of the nickelate perovskite is comparable to the best-performing solid electrolytes in the same temperature range, with a very low activation energy. The results present a design strategy for high-performance materials exhibiting emergent properties arising from strong electron correlations.

Strongly correlated perovskite fuel cells

DOE PAGES

Zhou, You; Guan, Xiaofei; Zhou, Hua; ...

2016-05-16

Fuel cells convert chemical energy directly into electrical energy with high efficiencies and environmental benefits, as compared with traditional heat engines. Yttria-stabilized zirconia is perhaps the material with the most potential as an electrolyte in solid oxide fuel cells (SOFCs), owing to its stability and near-unity ionic transference number. Although there exist materials with superior ionic conductivity, they are often limited by their ability to suppress electronic leakage when exposed to the reducing environment at the fuel interface. Such electronic leakage reduces fuel cell power output and the associated chemo-mechanical stresses can also lead to catastrophic fracture of electrolyte membranes.more » Here we depart from traditional electrolyte design that relies on cation substitution to sustain ionic conduction. Instead, we use a perovskite nickelate as an electrolyte with high initial ionic and electronic conductivity. Since many such oxides are also correlated electron systems, we can suppress the electronic conduction through a filling-controlled Mott transition induced by spontaneous hydrogen incorporation. Using such a nickelate as the electrolyte in free-standing membrane geometry, we demonstrate a low-temperature micro-fabricated SOFC with high performance. The ionic conductivity of the nickelate perovskite is comparable to the best-performing solid electrolytes in the same temperature range, with a very low activation energy. The results present a design strategy for high-performance materials exhibiting emergent properties arising from strong electron correlations.« less

Strongly correlated perovskite fuel cells.

PubMed

Zhou, You; Guan, Xiaofei; Zhou, Hua; Ramadoss, Koushik; Adam, Suhare; Liu, Huajun; Lee, Sungsik; Shi, Jian; Tsuchiya, Masaru; Fong, Dillon D; Ramanathan, Shriram

2016-06-09

Fuel cells convert chemical energy directly into electrical energy with high efficiencies and environmental benefits, as compared with traditional heat engines. Yttria-stabilized zirconia is perhaps the material with the most potential as an electrolyte in solid oxide fuel cells (SOFCs), owing to its stability and near-unity ionic transference number. Although there exist materials with superior ionic conductivity, they are often limited by their ability to suppress electronic leakage when exposed to the reducing environment at the fuel interface. Such electronic leakage reduces fuel cell power output and the associated chemo-mechanical stresses can also lead to catastrophic fracture of electrolyte membranes. Here we depart from traditional electrolyte design that relies on cation substitution to sustain ionic conduction. Instead, we use a perovskite nickelate as an electrolyte with high initial ionic and electronic conductivity. Since many such oxides are also correlated electron systems, we can suppress the electronic conduction through a filling-controlled Mott transition induced by spontaneous hydrogen incorporation. Using such a nickelate as the electrolyte in free-standing membrane geometry, we demonstrate a low-temperature micro-fabricated SOFC with high performance. The ionic conductivity of the nickelate perovskite is comparable to the best-performing solid electrolytes in the same temperature range, with a very low activation energy. The results present a design strategy for high-performance materials exhibiting emergent properties arising from strong electron correlations.

Microenvironment effects in electrocatalysis: ionic-liquid-like coating on carbon nanotubes enhances the Pd-electrocatalytic alcohol oxidation.

PubMed

Li, Shuwen; Dong, Zhengping; Yang, Honglei; Guo, Shujing; Gou, Galian; Ren, Ren; Zhu, Zhejun; Jin, Jun; Ma, Jiantai

2013-02-11

A new catalyst consisting of ionic liquid (IL)-functionalized carbon nanotubes (CNTs) obtained through 1,3-dipolar cycloaddition support-enhanced electrocatalytic Pd nanoparticles (Pd@IL(Cl(-))-CNTs) was successfully fabricated and applied in direct ethanol alkaline fuel cells. The morphology, structure, component and stability of Pd@IL(Cl(-))-CNTs were systematic characterized by transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), Raman spectra, thermogravimetric analysis (TGA) and X-ray diffraction (XRD). The new catalyst exhibited higher electrocatalytic activity, better tolerance and electrochemical stability than the Pd nanoparticles (NPs) immobilized on CNTs (Pd@CNTs), which was ascribed to the effects of the IL, larger electrochemically active surface area (ECSA), and greater processing performance. Cyclic voltammograms (CVs) at various scan rates illustrated that the oxidation behaviors of ethanol at all electrodes were controlled by diffusion processes. The investigation of the different counteranions demonstrated that the performance of the IL-CNTs hybrid material was profoundly influenced by the subtly varied structures of the IL moiety. All the results indicated that the Pd@IL(Cl(-))-CNTs catalyst is an efficient anode catalyst, which has potential applications in direct ethanol fuel cells and the strategy of IL functionalization of CNTs could be available to prepare other carbonaceous carrier supports to enhance the dispersivity, stability, and catalytic performance of metal NPs as well. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dynamic performance of the beam position monitor support at the SSRF.

PubMed

Wang, Xiao; Cao, Yun; Du, Hanwen; Yin, Lixin

2009-01-01

Electron beam stability is very important for third-generation light sources, especially for the Shanghai Synchrotron Radiation Facility whose ground vibrations are much larger than those for other light sources. Beam position monitors (BPMs), used to monitor the position of the electron beam, require a greater stability than other mechanical structures. This paper concentrates on an investigation of the dynamic performance of the BPM support prototype. Modal and response analyses have been carried out by finite-element (FE) calculations and vibration measurements. Inconsistent results between calculation and measurement have motivated a change in the soft connections between the support and the ground from a ground bolt in the initial design to full grout. As a result the mechanical stability of the BPM support is greatly improved, showing an increase in the first eigenfrequency from 20.2 Hz to 50.2 Hz and a decrease in the ratio of the root-mean-square displacement (4-50 Hz) between the ground and the top of the support from 4.36 to 1.23 in the lateral direction. An example is given to show how FE analysis can guide the mechanical design and dynamic measurements (i.e. it is not just used as a verification method). Similar ideas can be applied to improve the stability of other mechanical structures.

Tunable Microcavity-Stabilized Quantum Cascade Laser for Mid-IR High-Resolution Spectroscopy and Sensing.

PubMed

Borri, Simone; Siciliani de Cumis, Mario; Insero, Giacomo; Bartalini, Saverio; Cancio Pastor, Pablo; Mazzotti, Davide; Galli, Iacopo; Giusfredi, Giovanni; Santambrogio, Gabriele; Savchenkov, Anatoliy; Eliyahu, Danny; Ilchenko, Vladimir; Akikusa, Naota; Matsko, Andrey; Maleki, Lute; De Natale, Paolo

2016-02-17

The need for highly performing and stable methods for mid-IR molecular sensing and metrology pushes towards the development of more and more compact and robust systems. Among the innovative solutions aimed at answering the need for stable mid-IR references are crystalline microresonators, which have recently shown excellent capabilities for frequency stabilization and linewidth narrowing of quantum cascade lasers with compact setups. In this work, we report on the first system for mid-IR high-resolution spectroscopy based on a quantum cascade laser locked to a CaF₂ microresonator. Electronic locking narrows the laser linewidth by one order of magnitude and guarantees good stability over long timescales, allowing, at the same time, an easy way for finely tuning the laser frequency over the molecular absorption line. Improvements in terms of resolution and frequency stability of the source are demonstrated by direct sub-Doppler recording of a molecular line.

Tunable Microcavity-Stabilized Quantum Cascade Laser for Mid-IR High-Resolution Spectroscopy and Sensing

PubMed Central

Borri, Simone; Siciliani de Cumis, Mario; Insero, Giacomo; Bartalini, Saverio; Cancio Pastor, Pablo; Mazzotti, Davide; Galli, Iacopo; Giusfredi, Giovanni; Santambrogio, Gabriele; Savchenkov, Anatoliy; Eliyahu, Danny; Ilchenko, Vladimir; Akikusa, Naota; Matsko, Andrey; Maleki, Lute; De Natale, Paolo

2016-01-01

The need for highly performing and stable methods for mid-IR molecular sensing and metrology pushes towards the development of more and more compact and robust systems. Among the innovative solutions aimed at answering the need for stable mid-IR references are crystalline microresonators, which have recently shown excellent capabilities for frequency stabilization and linewidth narrowing of quantum cascade lasers with compact setups. In this work, we report on the first system for mid-IR high-resolution spectroscopy based on a quantum cascade laser locked to a CaF2 microresonator. Electronic locking narrows the laser linewidth by one order of magnitude and guarantees good stability over long timescales, allowing, at the same time, an easy way for finely tuning the laser frequency over the molecular absorption line. Improvements in terms of resolution and frequency stability of the source are demonstrated by direct sub-Doppler recording of a molecular line. PMID:26901199

Directly writing resistor, inductor and capacitor to composite functional circuits: a super-simple way for alternative electronics.

PubMed

Gao, Yunxia; Li, Haiyan; Liu, Jing

2013-01-01

The current strategies for making electronic devices are generally time, water, material and energy consuming. Here, the direct writing of composite functional circuits through comprehensive use of GaIn10-based liquid metal inks and matching material is proposed and investigated, which is a rather easy going and cost effective electronics fabrication way compared with the conventional approaches. Owing to its excellent adhesion and electrical properties, the liquid metal ink was demonstrated as a generalist in directly making various basic electronic components such as planar resistor, inductor and capacitor or their combination and thus composing circuits with expected electrical functions. For a precise control of the geometric sizes of the writing, a mask with a designed pattern was employed and demonstrated. Mechanisms for justifying the chemical components of the inks and the magnitudes of the target electronic elements so as to compose various practical circuits were disclosed. Fundamental tests on the electrical components including capacitor and inductor directly written on paper with working time up to 48 h and elevated temperature demonstrated their good stability and potential widespread adaptability especially when used in some high frequency circuits. As the first proof-of-concept experiment, a typical functional oscillating circuit including an integrated chip of 74HC04 with a supply voltage of 5 V, a capacitor of 10 nF and two resistors of 5 kΩ and 1 kΩ respectively was directly composed on paper through integrating specific electrical elements together, which presented an oscillation frequency of 8.8 kHz. The present method significantly extends the roles of the metal ink in recent works serving as only a single electrical conductor or interconnecting wires. It opens the way for directly writing out complex functional circuits or devices on different substrates. Such circuit composition strategy has generalized purpose and can be extended to more areas, even daily pervasive electronics.

Directly Writing Resistor, Inductor and Capacitor to Composite Functional Circuits: A Super-Simple Way for Alternative Electronics

PubMed Central

Gao, Yunxia; Li, Haiyan; Liu, Jing

2013-01-01

Background The current strategies for making electronic devices are generally time, water, material and energy consuming. Here, the direct writing of composite functional circuits through comprehensive use of GaIn10-based liquid metal inks and matching material is proposed and investigated, which is a rather easy going and cost effective electronics fabrication way compared with the conventional approaches. Methods Owing to its excellent adhesion and electrical properties, the liquid metal ink was demonstrated as a generalist in directly making various basic electronic components such as planar resistor, inductor and capacitor or their combination and thus composing circuits with expected electrical functions. For a precise control of the geometric sizes of the writing, a mask with a designed pattern was employed and demonstrated. Mechanisms for justifying the chemical components of the inks and the magnitudes of the target electronic elements so as to compose various practical circuits were disclosed. Results Fundamental tests on the electrical components including capacitor and inductor directly written on paper with working time up to 48 h and elevated temperature demonstrated their good stability and potential widespread adaptability especially when used in some high frequency circuits. As the first proof-of-concept experiment, a typical functional oscillating circuit including an integrated chip of 74HC04 with a supply voltage of 5 V, a capacitor of 10 nF and two resistors of 5 kΩ and 1 kΩ respectively was directly composed on paper through integrating specific electrical elements together, which presented an oscillation frequency of 8.8 kHz. Conclusions The present method significantly extends the roles of the metal ink in recent works serving as only a single electrical conductor or interconnecting wires. It opens the way for directly writing out complex functional circuits or devices on different substrates. Such circuit composition strategy has generalized purpose and can be extended to more areas, even daily pervasive electronics. PMID:23936349

Wearable Electronics of Silver-Nanowire/Poly(dimethylsiloxane) Nanocomposite for Smart Clothing.

PubMed

Huang, Gui-Wen; Xiao, Hong-Mei; Fu, Shao-Yun

2015-09-24

Wearable electronics used in smart clothing for healthcare monitoring or personalized identification is a new and fast-growing research topic. The challenge is that the electronics has to be simultaneously highly stretchable, mechanically robust and water-washable, which is unreachable for traditional electronics or previously reported stretchable electronics. Herein we report the wearable electronics of sliver nanowire (Ag-NW)/poly(dimethylsiloxane) (PDMS) nanocomposite which can meet the above multiple requirements. The electronics of Ag-NW/PDMS nanocomposite films is successfully fabricated by an original pre-straining and post-embedding (PSPE) process. The composite film shows a very high conductivity of 1.52 × 10(4) S cm(-1) and an excellent electrical stability with a small resistance fluctuation under a large stretching strain. Meanwhile, it shows a robust adhesion between the Ag-NWs and the PDMS substrate and can be directly machine-washed. These advantages make it a competitive candidate as wearable electronics for smart clothing applications.

Electricity generation by direct oxidation of glucose in mediatorless microbial fuel cells.

PubMed

Chaudhuri, Swades K; Lovley, Derek R

2003-10-01

Abundant energy, stored primarily in the form of carbohydrates, can be found in waste biomass from agricultural, municipal and industrial sources as well as in dedicated energy crops, such as corn and other grains. Potential strategies for deriving useful forms of energy from carbohydrates include production of ethanol and conversion to hydrogen, but these approaches face technical and economic hurdles. An alternative strategy is direct conversion of sugars to electrical power. Existing transition metal-catalyzed fuel cells cannot be used to generate electric power from carbohydrates. Alternatively, biofuel cells in which whole cells or isolated redox enzymes catalyze the oxidation of the sugar have been developed, but their applicability has been limited by several factors, including (i) the need to add electron-shuttling compounds that mediate electron transfer from the cell to the anode, (ii) incomplete oxidation of the sugars and (iii) lack of long-term stability of the fuel cells. Here we report on a novel microorganism, Rhodoferax ferrireducens, that can oxidize glucose to CO(2) and quantitatively transfer electrons to graphite electrodes without the need for an electron-shuttling mediator. Growth is supported by energy derived from the electron transfer process itself and results in stable, long-term power production.

Substrate specificity and interferences of a direct-electron-transfer-based glucose biosensor.

PubMed

Felice, Alfons K G; Sygmund, Christoph; Harreither, Wolfgang; Kittl, Roman; Gorton, Lo; Ludwig, Roland

2013-05-01

Electrochemical sensors for glucose monitoring employ different signal transduction strategies for electron transfer from the biorecognition element to the electrode surface. We present a biosensor that employs direct electron transfer and evaluate its response to various interfering substances known to affect glucose biosensors. The enzyme cellobiose dehydrogenase (CDH) was adsorbed on the surface of a carbon working electrode and covalently bound by cross linking. The response of CDH-modified electrodes to glucose and possible interfering compounds was measured by flow-injection analysis, linear sweep, and chronoamperometry. Chronoamperometry showed initial swelling/wetting of the electrode. After stabilization, the signal was stable and a sensitivity of 0.21 µA mM-1 cm-2 was obtained. To investigate the influence of the interfering substances on the biorecognition element, the simplest possible sensor architecture was used. The biosensor showed little (<5% signal deviation) or no response to various reported electroactive or otherwise interfering substances. Direct electron transfer from the biorecognition element to the electrode is a new principle applied to glucose biosensors, which can be operated at a low polarization potential of -100 mV versus silver/silver chloride. The reduction of interferences by electrochemically active substances is an attractive feature of this promising technology for the development of continuous glucose biosensors. © 2013 Diabetes Technology Society.

Comparative study of resist stabilization techniques for metal etch processing

NASA Astrophysics Data System (ADS)

Becker, Gerry; Ross, Matthew F.; Wong, Selmer S.; Minter, Jason P.; Marlowe, Trey; Livesay, William R.

1999-06-01

This study investigates resist stabilization techniques as they are applied to a metal etch application. The techniques that are compared are conventional deep-UV/thermal stabilization, or UV bake, and electron beam stabilization. The electron beam tool use din this study, an ElectronCure system from AlliedSignal Inc., ELectron Vision Group, utilizes a flood electron source and a non-thermal process. These stabilization techniques are compared with respect to a metal etch process. In this study, two types of resist are considered for stabilization and etch: a g/i-line resist, Shipley SPR-3012, and an advanced i-line, Shipley SPR 955- Cm. For each of these resist the effects of stabilization on resist features are evaluated by post-stabilization SEM analysis. Etch selectivity in all cases is evaluated by using a timed metal etch, and measuring resists remaining relative to total metal thickness etched. Etch selectivity is presented as a function of stabilization condition. Analyses of the effects of the type of stabilization on this method of selectivity measurement are also presented. SEM analysis was also performed on the features after a compete etch process, and is detailed as a function of stabilization condition. Post-etch cleaning is also an important factor impacted by pre-etch resist stabilization. Results of post- etch cleaning are presented for both stabilization methods. SEM inspection is also detailed for the metal features after resist removal processing.

Kit for providing a technetium medical radioimaging agent

DOEpatents

Wildung, Raymond E.; Garland, Thomas R.; Li, Shu-Mei W.

2000-01-01

The present invention is directed toward a kit for microbial reduction of a technetium compound to form other compounds of value in medical imaging. The technetium compound is combined in a mixture with non-growing microbial cells which contain a technetium-reducing enzyme system, a stabilizing agent and an electron donor in a saline solution under anaerobic conditions. The mixture is substantially free of an inorganic technetium reducing agent and its reduction products. The resulting product is Tc of lower oxidation states, the form of which can be partially controlled by the stabilizing agent. It has been discovered that the microorganisms Shewanella alga, strain Bry and Shewanella putrifacians, strain CN-32 contain the necessary enzyme systems for technetium reduction and can form both mono nuclear and polynuclear reduced Tc species depending on the stabilizing agent.

Microbial methods of reducing technetium

DOEpatents

Wildung, Raymond E [Richland, WA; Garland, Thomas R [Greybull, WY; Gorby, Yuri A [Richland, WA; Hess, Nancy J [Benton City, WA; Li, Shu-Mei W [Richland, WA; Plymale, Andrew E [Richland, WA

2001-01-01

The present invention is directed toward a method for microbial reduction of a technetium compound to form other compounds of value in medical imaging. The technetium compound is combined in a mixture with non-growing microbial cells which contain a technetium-reducing enzyme system, a stabilizing agent and an electron donor in a saline solution under anaerobic conditions. The mixture is substantially free of an inorganic technetium reducing agent and its reduction products. The resulting product is Tc of lower oxidation states, the form of which can be partially controlled by the stabilizing agent. It has been discovered that the microorganisms Shewanella alga, strain Bry and Shewanelia putrifacians, strain CN-32 contain the necessary enzyme systems for technetium reduction and can form both mono nuclear and polynuclear reduced Tc species depending on the stabilizing agent.

U31: vehicle stability and dynamics electronic stability control final report.

DOT National Transportation Integrated Search

2011-09-01

A team led by NTRCI is working to improve the roll and yaw stability of heavy duty combination trucks through developing stability algorithms, assembling demonstration hardware, and investigating robust wireless communication. : Modern electronic sta...

Hydrogen production by Tuning the Photonic Band Gap with the Electronic Band Gap of TiO2

PubMed Central

Waterhouse, G. I. N.; Wahab, A. K.; Al-Oufi, M.; Jovic, V.; Anjum, D. H.; Sun-Waterhouse, D.; Llorca, J.; Idriss, H.

2013-01-01

Tuning the photonic band gap (PBG) to the electronic band gap (EBG) of Au/TiO2 catalysts resulted in considerable enhancement of the photocatalytic water splitting to hydrogen under direct sunlight. Au/TiO2 (PBG-357 nm) photocatalyst exhibited superior photocatalytic performance under both UV and sunlight compared to the Au/TiO2 (PBG-585 nm) photocatalyst and both are higher than Au/TiO2 without the 3 dimensionally ordered macro-porous structure materials. The very high photocatalytic activity is attributed to suppression of a fraction of electron-hole recombination route due to the co-incidence of the PBG with the EBG of TiO2 These materials that maintain their activity with very small amount of sacrificial agents (down to 0.5 vol.% of ethanol) are poised to find direct applications because of their high activity, low cost of the process, simplicity and stability. PMID:24108361

Electronic cigarette aerosols and copper nanoparticles induce mitochondrial stress and promote DNA fragmentation in lung fibroblasts.

PubMed

Lerner, Chad A; Rutagarama, Pierrot; Ahmad, Tanveer; Sundar, Isaac K; Elder, Alison; Rahman, Irfan

2016-09-02

Oxidants or nanoparticles have recently been identified as constituents of aerosols released from various styles of electronic cigarettes (E-cigs). Cells in the lung may be directly exposed to these constituents and harbor reactive properties capable of incurring acute cell injury. Our results show mitochondria are sensitive to both E-cig aerosols and aerosol containing copper nanoparticles when exposed to human lung fibroblasts (HFL-1) using an Air-Liquid Interface culture system, evident by elevated levels of mitochondrial ROS (mtROS). Increased mtROS after aerosol exposure is associated with reduced stability of OxPhos electron transport chain (ETC) complex IV subunit and nuclear DNA fragmentation. Increased levels of IL-8 and IL-6 in HFL-1 conditioned media were also observed. These findings reveal both mitochondrial, genotoxic, and inflammatory stresses are features of direct cell exposure to E-cig aerosols which are ensued by inflammatory duress, raising a concern on deleterious effect of vaping. Copyright © 2016 Elsevier Inc. All rights reserved.

Strain, stabilities and electronic properties of hexagonal BN bilayers

NASA Astrophysics Data System (ADS)

Fujimoto, Yoshitaka; Saito, Susumu

Hexagonal boron nitride (h-BN) atomic layers have been regarded as fascinating materials both scientifically and technologically due to the sizable band gap. This sizable band-gap nature of the h-BN atomic layers would provide not only new physical properties but also novel nano- and/or opto-electronics applications. Here, we study the first-principles density-functional study that clarifies the biaxial strain effects on the energetics and the electronic properties of h-BN bilayers. We show that the band gaps of the h-BN bilayers are tunable by applying strains. Furthermore, we show that the biaxial strains can produce a transition from indirect to direct band gaps of the h-BN bilayer. We also discuss that both AA and AB stacking patterns of h-BN bilayer become feasible structures because h-BN bilayers possess two different directions in the stacking patterns. Supported by MEXT Elements Strategy Initiative to Form Core Research Center through Tokodai Institute for Element Strategy, JSPS KAKENHI Grant Numbers JP26390062 and JP25107005.

Mode transition of a Hall thruster discharge plasma

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

Hara, Kentaro, E-mail: kenhara@umich.edu; Sekerak, Michael J., E-mail: msekerak@umich.edu; Boyd, Iain D.

2014-05-28

A Hall thruster is a cross-field plasma device used for spacecraft propulsion. An important unresolved issue in the development of Hall thrusters concerns the effect of discharge oscillations in the range of 10–30 kHz on their performance. The use of a high speed Langmuir probe system and ultra-fast imaging of the discharge plasma of a Hall thruster suggests that the discharge oscillation mode, often called the breathing mode, is strongly correlated to an axial global ionization mode. Stabilization of the global oscillation mode is achieved as the magnetic field is increased and azimuthally rotating spokes are observed. A hybrid-direct kinetic simulationmore » that takes into account the transport of electronically excited atoms is used to model the discharge plasma of a Hall thruster. The predicted mode transition agrees with experiments in terms of the mean discharge current, the amplitude of discharge current oscillation, and the breathing mode frequency. It is observed that the stabilization of the global oscillation mode is associated with reduced electron transport that suppresses the ionization process inside the channel. As the Joule heating balances the other loss terms including the effects of wall loss and inelastic collisions, the ionization oscillation is damped, and the discharge oscillation stabilizes. A wide range of the stable operation is supported by the formation of a space charge saturated sheath that stabilizes the electron axial drift and balances the Joule heating as the magnetic field increases. Finally, it is indicated from the numerical results that there is a strong correlation between the emitted light intensity and the discharge current.« less

Enhanced thermal stability of a polymer solar cell blend induced by electron beam irradiation in the transmission electron microscope.

PubMed

Bäcke, Olof; Lindqvist, Camilla; de Zerio Mendaza, Amaia Diaz; Gustafsson, Stefan; Wang, Ergang; Andersson, Mats R; Müller, Christian; Kristiansen, Per Magnus; Olsson, Eva

2017-05-01

We show by in situ microscopy that the effects of electron beam irradiation during transmission electron microscopy can be used to lock microstructural features and enhance the structural thermal stability of a nanostructured polymer:fullerene blend. Polymer:fullerene bulk-heterojunction thin films show great promise for use as active layers in organic solar cells but their low thermal stability is a hindrance. Lack of thermal stability complicates manufacturing and influences the lifetime of devices. To investigate how electron irradiation affects the thermal stability of polymer:fullerene films, a model bulk-heterojunction film based on a thiophene-quinoxaline copolymer and a fullerene derivative was heat-treated in-situ in a transmission electron microscope. In areas of the film that exposed to the electron beam the nanostructure of the film remained stable, while the nanostructure in areas not exposed to the electron beam underwent large phase separation and nucleation of fullerene crystals. UV-vis spectroscopy shows that the polymer:fullerene films are stable for electron doses up to 2000kGy. Copyright © 2016 Elsevier B.V. All rights reserved.

Enhanced thermal stability of a polymer solar cell blend induced by electron beam irradiation in the transmission electron microscope.

PubMed

Bäcke, Olof; Lindqvist, Camilla; de Zerio Mendaza, Amaia Diaz; Gustafsson, Stefan; Wang, Ergang; Andersson, Mats R; Müller, Christian; Kristiansen, Per Magnus; Olsson, Eva

2017-02-01

We show by in situ microscopy that the effects of electron beam irradiation during transmission electron microscopy can be used to lock microstructural features and enhance the structural thermal stability of a nanostructured polymer:fullerene blend. Polymer:fullerene bulk-heterojunction thin films show great promise for use as active layers in organic solar cells but their low thermal stability is a hindrance. Lack of thermal stability complicates manufacturing and influences the lifetime of devices. To investigate how electron irradiation affects the thermal stability of polymer:fullerene films, a model bulk-heterojunction film based on a thiophene-quinoxaline copolymer and a fullerene derivative was heat-treated in-situ in a transmission electron microscope. In areas of the film that exposed to the electron beam the nanostructure of the film remained stable, while the nanostructure in areas not exposed to the electron beam underwent large phase separation and nucleation of fullerene crystals. UV-vis spectroscopy shows that the polymer:fullerene films are stable for electron doses up to 2000kGy. Copyright © 2017 Elsevier B.V. All rights reserved.

The rational design of a Au(I) precursor for focused electron beam induced deposition

PubMed Central

Marashdeh, Ali; Tiesma, Thiadrik; van Velzen, Niels J C; Harder, Sjoerd; Havenith, Remco W A; De Hosson, Jeff T M

2017-01-01

Au(I) complexes are studied as precursors for focused electron beam induced processing (FEBIP). FEBIP is an advanced direct-write technique for nanometer-scale chemical synthesis. The stability and volatility of the complexes are characterized to design an improved precursor for pure Au deposition. Aurophilic interactions are found to play a key role. The short lifetime of ClAuCO in vacuum is explained by strong, destabilizing Au–Au interactions in the solid phase. While aurophilic interactions do not affect the stability of ClAuPMe3, they leave the complex non-volatile. Comparison of crystal structures of ClAuPMe3 and MeAuPMe3 shows that Au–Au interactions are much weaker or partially even absent for the latter structure. This explains its high volatility. However, MeAuPMe3 dissociates unfavorably during FEBIP, making it an unsuitable precursor. The study shows that Me groups reduce aurophilic interactions, compared to Cl groups, which we attribute to electronic rather than steric effects. Therefore we propose MeAuCO as a potential FEBIP precursor. It is expected to have weak Au–Au interactions, making it volatile. It is stable enough to act as a volatile source for Au deposition, being stabilized by 6.5 kcal/mol. Finally, MeAuCO is likely to dissociate in a single step to pure Au. PMID:29354346

The rational design of a Au(I) precursor for focused electron beam induced deposition.

PubMed

Marashdeh, Ali; Tiesma, Thiadrik; van Velzen, Niels J C; Harder, Sjoerd; Havenith, Remco W A; De Hosson, Jeff T M; van Dorp, Willem F

2017-01-01

Au(I) complexes are studied as precursors for focused electron beam induced processing (FEBIP). FEBIP is an advanced direct-write technique for nanometer-scale chemical synthesis. The stability and volatility of the complexes are characterized to design an improved precursor for pure Au deposition. Aurophilic interactions are found to play a key role. The short lifetime of ClAuCO in vacuum is explained by strong, destabilizing Au-Au interactions in the solid phase. While aurophilic interactions do not affect the stability of ClAuPMe 3 , they leave the complex non-volatile. Comparison of crystal structures of ClAuPMe 3 and MeAuPMe 3 shows that Au-Au interactions are much weaker or partially even absent for the latter structure. This explains its high volatility. However, MeAuPMe 3 dissociates unfavorably during FEBIP, making it an unsuitable precursor. The study shows that Me groups reduce aurophilic interactions, compared to Cl groups, which we attribute to electronic rather than steric effects. Therefore we propose MeAuCO as a potential FEBIP precursor. It is expected to have weak Au-Au interactions, making it volatile. It is stable enough to act as a volatile source for Au deposition, being stabilized by 6.5 kcal/mol. Finally, MeAuCO is likely to dissociate in a single step to pure Au.

Soluble fullerene derivatives: The effect of electronic structure on transistor performance and air stability

NASA Astrophysics Data System (ADS)

Ball, James M.; Bouwer, Ricardo K. M.; Kooistra, Floris B.; Frost, Jarvist M.; Qi, Yabing; Domingo, Ester Buchaca; Smith, Jeremy; de Leeuw, Dago M.; Hummelen, Jan C.; Nelson, Jenny; Kahn, Antoine; Stingelin, Natalie; Bradley, Donal D. C.; Anthopoulos, Thomas D.

2011-07-01

The family of soluble fullerene derivatives comprises a widely studied group of electron transporting molecules for use in organic electronic and optoelectronic devices. For electronic applications, electron transporting (n-channel) materials are required for implementation into organic complementary logic circuit architectures. To date, few soluble candidate materials have been studied that fulfill the stringent requirements of high carrier mobility and air stability. Here we present a study of three soluble fullerenes with varying electron affinity to assess the impact of electronic structure on device performance and air stability. Through theoretical and experimental analysis of the electronic structure, characterization of thin-film structure, and characterization of transistor device properties we find that the air stability of the present series of fullerenes not only depends on the absolute electron affinity of the semiconductor but also on the disorder within the thin-film.

Process margin enhancement for 0.25-μm metal etch process

NASA Astrophysics Data System (ADS)

Lee, Chung Y.; Ma, Wei Wen; Lim, Eng H.; Cheng, Alex T.; Joy, Raymond; Ross, Matthew F.; Wong, Selmer S.; Marlowe, Trey

2000-06-01

This study evaluates electron beam stabilization of UV6, a positive tone Deep-UV (DUV) resist from Shipley, for a 0.25 micrometer metal etch application. Results are compared between untreated resist and resist treated with different levels of electron beam stabilization. The electron beam processing was carried out in an ElectronCureTM flood electron beam exposure system from Honeywell International Inc., Electron Vision. The ElectronCureTM system utilizes a flood electron beam source which is larger in diameter than the substrate being processed, and is capable of variable energy so that the electron range is matched to the resist film thickness. Changes in the UV6 resist material as a result of the electron beam stabilization are monitored via spectroscopic ellipsometry for film thickness and index of refraction changes and FTIR for analysis of chemical changes. Thermal flow stability is evaluated by applying hot plate bakes of 150 degrees Celsius and 200 degrees Celsius, to patterned resist wafers with no treatment and with an electron beam dose level of 2000 (mu) C/cm2. A significant improvement in the thermal flow stability of the patterned UV6 resist features is achieved with the electron beam stabilization process. Etch process performance of the UV6 resist was evaluated by performing a metal pattern transfer process on wafers with untreated resist and comparing these with etch results on wafers with different levels of electron beam stabilization. The etch processing was carried out in an Applied Materials reactor with an etch chemistry including BCl3 and Cl2. All wafers were etched under the same conditions and the resist was treated after etch to prevent further erosion after etch but before SEM analysis. Post metal etch SEM cross-sections show the enhancement in etch resistance provided by the electron beam stabilization process. Enhanced process margin is achieved as a result of the improved etch resistance, and is observed in reduced resist side-wall angles after etch. Only a slight improvement is observed in the isolated to dense bias effects of the etch process. Improved CD control is also achieved by applying the electron beam process, as more consistent CDs are observed after etch.

Solar Wind Strahl Observations and Their Implication to the Core-Halo Formation due to Scattering

NASA Technical Reports Server (NTRS)

Vinas, Adolfo F.

2011-01-01

A study of the kinetic properties of the strahl electron velocity distribution functions (VDF?s) in the solar wind is presented. This study focuses on the mechanisms that control and regulate the electron VDF?s and the stability of the strahl electrons in the solar wind; mechanisms that are not yet well understood. Various parameters are investigated such as the strahl-electron density, temperature anisotropy, and electron heat-flux. These parameters are used to investigate the stability of the strahl population. The analysis check for whether the strahl electrons are constrained by some instability (e.g., the whistler or KAW instabilities), or are maintained by other types of processes. The electron heat-flux and temperature anisotropy are determined by modeling of the 3D-VDF?s from which the moments properties of the various populations are obtained. The results of this study have profound implication on the current hypothesis about the probable formation of the solar wind halo electrons produced from the scattering of the strahl population. This hypothesis is strengthened by direct observations of the strahl electrons being scattered into the core-halo in an isolated event. The observation implies that the scattering of the strahl is not a continuous process but occurs in bursts in regions where conditions for wave growth providing the scattering are optimum. Sometimes, observations indicate that the strahl component is anisotropic (Tper/Tpal approx. 2). This provides a possible free energy source for the excitation of whistler waves as a possible scattering mechanism, however this condition is not always observed. The study is based on high time resolution data from the Cluster/PEACE electron spectrometer.

Study on the influences of reduction temperature on nickel-yttria-stabilized zirconia solid oxide fuel cell anode using nickel oxide-film electrode

NASA Astrophysics Data System (ADS)

Jiao, Zhenjun; Ueno, Ai; Suzuki, Yuji; Shikazono, Naoki

2016-10-01

In this study, the reduction processes of nickel oxide at different temperatures were investigated using nickel-film anode to study the influences of reduction temperature on the initial performances and stability of nickel-yttria-stabilized zirconia anode. Compared to conventional nickel-yttria-stabilized zirconia composite cermet anode, nickel-film anode has the advantage of direct observation at nickel-yttria-stabilized zirconia interface. The microstructural changes were characterized by scanning electron microscopy. The reduction process of nickel oxide is considered to be determined by the competition between the mechanisms of volume reduction in nickel oxide-nickel reaction and nickel sintering. Electrochemical impedance spectroscopy was applied to analyze the time variation of the nickel-film anode electrochemical characteristics. The anode performances and microstructural changes before and after 100 hours discharging and open circuit operations were analyzed. The degradation of nickel-film anode is considered to be determined by the co-effect between the nickel sintering and the change of nickel-yttria-stabilized zirconia interface bonding condition.

Remote control of the dissociative ionization of H2 based on electron-H2 + entanglement

NASA Astrophysics Data System (ADS)

Wang, Jun-Ping; He, Feng

2018-04-01

The single ionization of H2 in strong laser fields creates the correlated electron-H2 + pair. Based on such a correlation, we conceive a strategy to control the energy spectra of the freed electron or dissociative fragments by simulating the time-dependent Schrödinger equation. Two attosecond pulses in a train produce the replica of electron-H2 + pairs, which are to be steered by a time-delayed phase-stabilized (mid)infrared laser pulse. By controlling the behavior of the freed electron, the dissociation of H2 + can be controlled even though there is no direct laser-H2 + coupling. On the other hand, the photoelectron energy spectra can be manipulated via laser-H2 + coupling. This study demonstrates the entanglement of molecular quantum wave packets, and affords a route to remotely control molecular dissociative ionization.

Electron beam induced damage in ITO coated Kapton. [Indium Tin Oxide

NASA Technical Reports Server (NTRS)

Krainsky, I.; Gordon, W. L.; Hoffman, R. W.

1981-01-01

Data for the stability of thin conductive indium tin oxide films on 0.003 inch thick Kapton substrates during exposure of the surface to electron beams are reported. The electron beam energy was 3 keV and the diameter was about 0.8 mm. Thermal effects and surface modifications are considered. For primary current greater than 0.6 microamperes, an obvious dark discoloration with diameter approximately that of the beam was produced. The structure of the discolored region was studied with the scanning electron microscope, and the findings are stated. Surface modifications were explored by AES, obtaining spectra and secondary emission coefficient as a function of time for different beam intensities. In all cases beam exposure results in a decrease of the secondary yield but because of thermal effects this change, as well as composition changes, cannot be directly interpreted in terms of electron beam dosage.

Comprehensive stabilization mechanism of electron-beam irradiated polyacrylonitrile fibers to shorten the conventional thermal treatment

PubMed Central

Park, Sejoon; Yoo, Seung Hwa; Kang, Ha Ri; Jo, Seong Mu; Joh, Han-Ik; Lee, Sungho

2016-01-01

An electron beam was irradiated on polyacrylonitrile (PAN) fibers prior to thermal stabilization. The electron-beam irradiation effectively shortened the thermal stabilization process by one fourth compared with the conventional thermal stabilization process. A comprehensive mechanistic study was conducted regarding this shortening of the thermal stabilization by electron-beam irradiation. Various species of chain radicals were produced in PAN fibers by electron-beam irradiation and existed for a relatively long duration, as observed by electron spin resonance spectroscopy. Subsequently, these radicals were gradually oxidized to peroxy radicals in the presence of oxygen under storage or heating. We found that these peroxy radicals (CO) enabled such an effective shortcut of thermal stabilization by acting as intermolecular cross-linking and partial aromatization points in the low temperature range (100–130 °C) and as earlier initiation seeds of successive cyclization reactions in the next temperature range (>130–140 °C) of thermal stabilization. Finally, even at a low irradiation dose (200 kGy), followed by a short heat treatment (230 °C for 30 min), the PAN fibers were sufficiently stabilized to produce carbon fibers with tensile strength and modulus of 2.3 and 216 GPa, respectively, after carbonization. PMID:27349719

Flexible ferroelectric element based on van der Waals heteroepitaxy.

PubMed

Jiang, Jie; Bitla, Yugandhar; Huang, Chun-Wei; Do, Thi Hien; Liu, Heng-Jui; Hsieh, Ying-Hui; Ma, Chun-Hao; Jang, Chi-Yuan; Lai, Yu-Hong; Chiu, Po-Wen; Wu, Wen-Wei; Chen, Yi-Chun; Zhou, Yi-Chun; Chu, Ying-Hao

2017-06-01

We present a promising technology for nonvolatile flexible electronic devices: A direct fabrication of epitaxial lead zirconium titanate (PZT) on flexible mica substrate via van der Waals epitaxy. These single-crystalline flexible ferroelectric PZT films not only retain their performance, reliability, and thermal stability comparable to those on rigid counterparts in tests of nonvolatile memory elements but also exhibit remarkable mechanical properties with robust operation in bent states (bending radii down to 2.5 mm) and cycling tests (1000 times). This study marks the technological advancement toward realizing much-awaited flexible yet single-crystalline nonvolatile electronic devices for the design and development of flexible, lightweight, and next-generation smart devices with potential applications in electronics, robotics, automotive, health care, industrial, and military systems.

Exploring Low Internal Reorganization Energies for Silicene Nanoclusters

NASA Astrophysics Data System (ADS)

Pablo-Pedro, Ricardo; Lopez-Rios, Hector; Mendoza-Cortes, Jose-L.; Kong, Jing; Fomine, Serguei; Van Voorhis, Troy; Dresselhaus, Mildred S.

2018-05-01

This paper is a contribution to the Physical Review Applied collection in memory of Mildred S. Dresselhaus. High-performance materials rely on small reorganization energies to facilitate both charge separation and charge transport. Here, we perform density-functional-theory calculations to predict small reorganization energies of rectangular silicene nanoclusters with hydrogen-passivated edges denoted by H-SiNC. We observe that across all geometries, H-SiNCs feature large electron affinities and highly stabilized anionic states, indicating their potential as n -type materials. Our findings suggest that fine-tuning the size of H-SiNCs along the "zigzag" and "armchair" directions may permit the design of novel n -type electronic materials and spintronics devices that incorporate both high electron affinities and very low internal reorganization energies.

Flexible ferroelectric element based on van der Waals heteroepitaxy

PubMed Central

Jiang, Jie; Bitla, Yugandhar; Huang, Chun-Wei; Do, Thi Hien; Liu, Heng-Jui; Hsieh, Ying-Hui; Ma, Chun-Hao; Jang, Chi-Yuan; Lai, Yu-Hong; Chiu, Po-Wen; Wu, Wen-Wei; Chen, Yi-Chun; Zhou, Yi-Chun; Chu, Ying-Hao

2017-01-01

We present a promising technology for nonvolatile flexible electronic devices: A direct fabrication of epitaxial lead zirconium titanate (PZT) on flexible mica substrate via van der Waals epitaxy. These single-crystalline flexible ferroelectric PZT films not only retain their performance, reliability, and thermal stability comparable to those on rigid counterparts in tests of nonvolatile memory elements but also exhibit remarkable mechanical properties with robust operation in bent states (bending radii down to 2.5 mm) and cycling tests (1000 times). This study marks the technological advancement toward realizing much-awaited flexible yet single-crystalline nonvolatile electronic devices for the design and development of flexible, lightweight, and next-generation smart devices with potential applications in electronics, robotics, automotive, health care, industrial, and military systems. PMID:28630922

Direct electron transfer of glucose oxidase-boron doped diamond interface: a new solution for a classical problem.

PubMed

Bai, Yan-Feng; Xu, Tai-Bin; Luong, John H T; Cui, Hui-Fang

2014-05-20

A planar boron-doped diamond (BDD) electrode was treated with KOH and functionalized with 3-aminopropyltriethoxysilane (APTES) to serve as a biosensing platform for biomolecule immobilization with glucose oxidase (GOx) as a test model. The free amino groups of GOx and APTES were cross-linked by glutaraldehyde (X), a bifunctional chemical to form a stable enzyme layer (GOx-X-APTES) on BDD. Micrographs obtained by scanning electron microscopy revealed that a mesoporous structure uniformly covered the BDD surface. Cyclic voltammetry of GOx immobilized showed a pair of well-defined redox peaks in neutral phosphate buffer solution, corresponding to the direct electron transfer of GOx. The apparent heterogeneous electron transfer rate constant of the immobilized GOx was estimated to be 8.85 ± 0.47 s(-1), considerably higher than the literature reported values. The determination of glucose was carried out by amperometry at -0.40 V, and the developed biosensor showed good reproducibility and stability with a detection limit of 20 μM. Both ascorbic and uric acids at normal physiological conditions did not provoke any signals. The dynamic range of glucose detection was further extended by covering the enzyme electrode with a thin Nafion layer. The Nafion/GOx-X-APTES/BDD biosensor showed excellent stability, a detection limit of 30 μM, a linear range between 35 μM and 8 mM, and a dynamic range up to 14 mM. Such analytical performances were compared favorably with other complicated sensing schemes using nanomaterials, redox polymers, and nanowires. The APTES-functionalized BDD could be easily extended to immobilize other redox enzymes or proteins of interests.

Cellobiose Dehydrogenase Aryl Diazonium Modified Single Walled Carbon Nanotubes: Enhanced Direct Electron Transfer through a Positively Charged Surface

PubMed Central

2011-01-01

One of the challenges in the field of biosensors and biofuel cells is to establish a highly efficient electron transfer rate between the active site of redox enzymes and electrodes to fully access the catalytic potential of the biocatalyst and achieve high current densities. We report on very efficient direct electron transfer (DET) between cellobiose dehydrogenase (CDH) from Phanerochaete sordida (PsCDH) and surface modified single walled carbon nanotubes (SWCNT). Sonicated SWCNTs were adsorbed on the top of glassy carbon electrodes and modified with aryl diazonium salts generated in situ from p-aminobenzoic acid and p-phenylenediamine, thus featuring at acidic pH (3.5 and 4.5) negative or positive surface charges. After adsorption of PsCDH, both electrode types showed excellent long-term stability and very efficient DET. The modified electrode presenting p-aminophenyl groups produced a DET current density of 500 μA cm−2 at 200 mV vs normal hydrogen reference electrode (NHE) in a 5 mM lactose solution buffered at pH 3.5. This is the highest reported DET value so far using a CDH modified electrode and comes close to electrodes using mediated electron transfer. Moreover, the onset of the electrocatalytic current for lactose oxidation started at 70 mV vs NHE, a potential which is 50 mV lower compared to when unmodified SWCNTs were used. This effect potentially reduces the interference by oxidizable matrix components in biosensors and increases the open circuit potential in biofuel cells. The stability of the electrode was greatly increased compared with unmodified but cross-linked SWCNTs electrodes and lost only 15% of the initial current after 50 h of constant potential scanning. PMID:21417322

Cellobiose dehydrogenase aryl diazonium modified single walled carbon nanotubes: enhanced direct electron transfer through a positively charged surface.

PubMed

Tasca, Federico; Harreither, Wolfgang; Ludwig, Roland; Gooding, John Justin; Gorton, Lo

2011-04-15

One of the challenges in the field of biosensors and biofuel cells is to establish a highly efficient electron transfer rate between the active site of redox enzymes and electrodes to fully access the catalytic potential of the biocatalyst and achieve high current densities. We report on very efficient direct electron transfer (DET) between cellobiose dehydrogenase (CDH) from Phanerochaete sordida (PsCDH) and surface modified single walled carbon nanotubes (SWCNT). Sonicated SWCNTs were adsorbed on the top of glassy carbon electrodes and modified with aryl diazonium salts generated in situ from p-aminobenzoic acid and p-phenylenediamine, thus featuring at acidic pH (3.5 and 4.5) negative or positive surface charges. After adsorption of PsCDH, both electrode types showed excellent long-term stability and very efficient DET. The modified electrode presenting p-aminophenyl groups produced a DET current density of 500 μA cm(-2) at 200 mV vs normal hydrogen reference electrode (NHE) in a 5 mM lactose solution buffered at pH 3.5. This is the highest reported DET value so far using a CDH modified electrode and comes close to electrodes using mediated electron transfer. Moreover, the onset of the electrocatalytic current for lactose oxidation started at 70 mV vs NHE, a potential which is 50 mV lower compared to when unmodified SWCNTs were used. This effect potentially reduces the interference by oxidizable matrix components in biosensors and increases the open circuit potential in biofuel cells. The stability of the electrode was greatly increased compared with unmodified but cross-linked SWCNTs electrodes and lost only 15% of the initial current after 50 h of constant potential scanning. © 2011 American Chemical Society

Energy-Efficient and Environmentally Friendly Solid Oxide Membrane Electrolysis Process for Magnesium Oxide Reduction: Experiment and Modeling

NASA Astrophysics Data System (ADS)

Guan, Xiaofei; Pal, Uday B.; Powell, Adam C.

2014-06-01

This paper reports a solid oxide membrane (SOM) electrolysis experiment using an LSM(La0.8Sr0.2MnO3-δ)-Inconel inert anode current collector for production of magnesium and oxygen directly from magnesium oxide at 1423 K (1150 °C). The electrochemical performance of the SOM cell was evaluated by means of various electrochemical techniques including electrochemical impedance spectroscopy, potentiodynamic scan, and electrolysis. Electronic transference numbers of the flux were measured to assess the magnesium dissolution in the flux during SOM electrolysis. The effects of magnesium solubility in the flux on the current efficiency and the SOM stability during electrolysis are discussed. An inverse correlation between the electronic transference number of the flux and the current efficiency of the SOM electrolysis was observed. Based on the experimental results, a new equivalent circuit of the SOM electrolysis process is presented. A general electrochemical polarization model of SOM process for magnesium and oxygen gas production is developed, and the maximum allowable applied potential to avoid zirconia dissociation is calculated as well. The modeling results suggest that a high electronic resistance of the flux and a relatively low electronic resistance of SOM are required to achieve membrane stability, high current efficiency, and high production rates of magnesium and oxygen.

Stability and carrier transport properties of phosphorene-based polymorphic nanoribbons

NASA Astrophysics Data System (ADS)

Kaur, Sumandeep; Kumar, Ashok; Srivastava, Sunita; Pandey, Ravindra; Tankeshwar, K.

2018-04-01

Few-layer black phosphorene has recently attracted significant interest in the scientific community. In this paper, we consider several polymorphs of phosphorene nanoribbons (PNRs) and employ deformation potential theory within the effective mass approximation, together with density functional theory, to investigate their structural, mechanical and electronic properties. The results show that the stability of a PNR strongly depends on the direction along which it can be cut from its 2D counterpart. PNRs also exhibit a wide range of line stiffnesses ranging from 6 × 1010 eV m-1 to 18 × 1011 eV m-1, which has little dependence on the edge passivation. Likewise, the calculated electronic properties of PNRs show them to be either a narrow-gap semiconductor (E g < 1 eV) or a wide-gap semiconductor (E g > 1 eV). The carrier mobility of PNRs is found to be comparable to that of black phosphorene. Some of the PNRs show an n-type (p-type) semiconducting character owing to their higher electron (hole) mobility. Passivation of the edges leads to n-type ↔ p-type transition in many of the PNRs considered. The predicted novel characteristics of PNRs, with a wide range of mechanical and electronic properties, make them potentially suitable for use in nanoscale devices.

Unusual Internal Electron Transfer in Conjugated Radical Polymers.

PubMed

Li, Fei; Gore, Danielle N; Wang, Shaoyang; Lutkenhaus, Jodie L

2017-08-07

Nitroxide-containing organic radical polymers (ORPs) have captured attention for their high power and fast redox kinetics. Yet a major challenge is the polymer's aliphatic backbone, resulting in a low electronic conductivity. Recent attempts that replace the aliphatic backbone with a conjugated one have not met with success. The reason for this is not understood until now. We examine a family of polythiophenes bearing nitroxide radical groups, showing that while both species are electrochemically active, there exists an internal electron transfer mechanism that interferes with stabilization of the polymer's fully oxidized form. This finding directs the future design of conjugated radical polymers in energy storage and electronics, where careful attention to the redox potential of the backbone relative to the organic radical species is needed. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Replacement of oxidizable residues predicted by QM-MM simulation of a fungal laccase generates variants with higher operational stability.

PubMed

Avelar, Mayra; Pastor, Nina; Ramirez-Ramirez, Joaquin; Ayala, Marcela

2018-01-01

In this work, we sought to obtain a more stable laccase with higher operational stability for the oxidation of phenols. During this reaction, phenoxy free radicals are produced that gradually inactivate the enzyme; the inactivation rate depends on the phenol chemical nature. In order to predict residues prone to oxidize within the active site, we simulated activated states of the catalytic region of a fungal laccase using QM-MM tools (Quantum Mechanics-Molecular Mechanics). After simulating the electron distribution in both the basal and activated state (plus or minus one electron) of several conformations of Coriolopsis gallica laccase, residues that could be susceptible to oxidation were identified, according to the values of spin density obtained from calculations. Three targets were selected (F357, F413, and F475) to be replaced by site-directed mutagenesis with less oxidizable residues such as leucine, alanine, and isoleucine. The resulting variants displayed a higher specific activity (from 1.5-to 4-fold) than the parental enzyme. Catalyst depletion during phenol oxidation was 2.5-fold lower for the variants, reflecting a higher operational stability. Copyright © 2017 Elsevier Inc. All rights reserved.

Ru–protein–Co biohybrids designed for solar hydrogen production: understanding electron transfer pathways related to photocatalytic function† †Electronic supplementary information (ESI) available: Time traces of photocatalysis, additional EPR spectra and parameters, UV-visible spectroscopy data, and kinetic fits of TA traces. See DOI: 10.1039/c6sc03121h Click here for additional data file.

PubMed Central

Soltau, Sarah R.; Dahlberg, Peter D.; Niklas, Jens; Poluektov, Oleg G.; Mulfort, Karen L.

2016-01-01

A series of Ru–protein–Co biohybrids have been prepared using the electron transfer proteins ferredoxin (Fd) and flavodoxin (Fld) as scaffolds for photocatalytic hydrogen production. The light-generated charge separation within these hybrids has been monitored by transient optical and electron paramagnetic resonance spectroscopies. Two distinct electron transfer pathways are observed. The Ru–Fd–Co biohybrid produces up to 650 turnovers of H2 utilizing an oxidative quenching mechanism for Ru(ii)* and a sequential electron transfer pathway via the native [2Fe–2S] cluster to generate a Ru(iii)–Fd–Co(i) charge separated state that lasts for ∼6 ms. In contrast, a direct electron transfer pathway occurs for the Ru–ApoFld–Co biohybrid, which lacks an internal electron relay, generating Ru(i)–ApoFld–Co(i) charge separated state that persists for ∼800 μs and produces 85 turnovers of H2 by a reductive quenching mechanism for Ru(ii)*. This work demonstrates the utility of protein architectures for linking donor and catalytic function via direct or sequential electron transfer pathways to enable stabilized charge separation which facilitates photocatalysis for solar fuel production. PMID:28451142

76 FR 38270 - Terrafugia, Inc.; Grant of Application for Temporary Exemption From Certain Requirements of FMVSS...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-06-29

... No. 110, Tire Selection and Rims for Motor Vehicles, FMVSS No. 126, Electronic Stability Control..., Electronic Stability Control Systems, FMVSS No. 205, Glazing Materials, and FMVSS No. 208, Occupant Crash... FMVSS requirements for tire selection and rims for motor vehicles (FMVSS No. 110), electronic stability...

An exploratory study of the relationship between socioeconomic status and motor vehicle safety features.

PubMed

Girasek, Deborah C; Taylor, Brett

2010-04-01

The purpose of this study was to assess the association between motor vehicle owners' socioeconomic status (SES) and the safety of their motor vehicles. Truncated vehicle identification numbers (VINs) were obtained from the Maryland Motor Vehicle Administration office. ZIP code-level income and educational data were assigned to each VIN. Software was used to identify safety-related vehicle characteristics including crash test rating, availability of electronic stability control and side impact air bags, age, and weight. Correlations and analyses of variance were performed to assess whether a ZIP code's median household income and educational level were associated with its proportion of registered vehicles with safety features. For 13 of the 16 correlations performed, SES was significantly associated with the availability of vehicle safety features in a direction that favored upper-income individuals. Vehicle weight was not associated with income or education. When ZIP codes were divided into median household income quintiles, their mean proportions of safety features also differed significantly, in the same direction, for availability of electronic stability control, side impact air bags, vehicle age, and crash test ratings. Safer motor vehicles appear to be distributed along socioeconomic lines, with lower income groups experiencing more risk. This previously unidentified mechanism of disparity merits further study and the attention of policy makers.

Stabilizing benzene-like planar N6 rings to form a single atomic honeycomb BeN3 sheet with high carrier mobility.

PubMed

Li, Xiaoyin; Zhang, Shunhong; Zhang, Cunzhi; Wang, Qian

2018-01-18

It is a longstanding quest to use the planar N 6 ring as a structural unit to build stable atomic sheets. However, unlike C 6 H 6 , the neutral N 6 ring is unstable due to the strong repulsion of the lone-pair of electrons. Using first-principles calculations and the global structure search method, we show that the N 6 unit can be stabilized by the linkage of Be atoms, forming a h-BeN 3 honeycomb monolayer, in which the geometry and the π-molecular orbitals of the N 6 rings are well kept. This sheet is not only energetically, dynamically and thermally stable, but also can withstand high temperatures up to 1000 K. Band structure calculation combined with a group theory analysis and a tight-binding model uncover that h-BeN 3 has a π-band dominated band structure with an indirect band gap of 1.67 eV. While it possesses a direct band gap of 2.07 eV at the Γ point lying in the photon energy region of visual light, its interband dipole transition is symmetrically allowed so that electrons can be excited by photons free of phonons. Based on deformation potential theory, a systematic study of the transport properties reveals that the h-BeN 3 sheet possesses a high carrier mobility of ∼10 3 cm 2 V -1 s -1 , superior to the extensively studied transition metal dichalcogenide monolayers. We further demonstrate that this sheet can be rolled up into either zigzag or armchair nanotubes. These nanotubes are also dynamically stable, and are all direct band gap semiconductors with carrier mobility comparable to that of their 2D counterparts, regardless of their chirality and diameter. The robust stability and novel electronic and transport properties of the h-BeN 3 sheet and its tubular derivatives endow them with great potential for applications in nanoelectronic devices.

The stabilities and electron structures of Al-Mg clusters with 18 and 20 valence electrons

NASA Astrophysics Data System (ADS)

Yang, Huihui; Chen, Hongshan

2017-07-01

The spherical jellium model predicts that metal clusters having 18 and 20 valence electrons correspond to the magic numbers and will show specific stabilities. We explore in detail the geometric structures, stabilities and electronic structures of Al-Mg clusters containing 18 and 20 valence electrons by using genetic algorithm combined with density functional theories. The stabilities of the clusters are governed by the electronic configurations and Mg/Al ratios. The clusters with lower Mg/Al ratios are more stable. The molecular orbitals accord with the shell structures predicted by the jellium model but the 2S level interweaves with the 1D levels and the 2S and 1D orbitals form a subgroup. The clusters having 20 valence electrons form closed 1S21P61D102S2 shells and show enhanced stability. The Al-Mg clusters with a valence electron count of 18 do not form closed shells because one 1D orbital is unoccupied. The ionization potential and electron affinity are closely related to the electronic configurations; their values are determined by the subgroups the HOMO or LUMO belong to. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjd/e2017-80042-9

76 FR 49532 - Federal Motor Vehicle Safety Standards; Electronic Stability Control; Technical Report on the...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-10

... Effectiveness of Electronic Stability Control Systems for Cars and LTVs AGENCY: National Highway Traffic Safety... effectiveness of electronic stability control (ESC) for passenger cars and LTVs (light trucks and vans). Safety... probability that a vehicle would be involved in a fatal crash. For passenger cars, the reductions are 5...

Observation of ambipolar switching in a silver nanoparticle single-electron transistor with multiple molecular floating gates

NASA Astrophysics Data System (ADS)

Yamamoto, Makoto; Shinohara, Shuhei; Tamada, Kaoru; Ishii, Hisao; Noguchi, Yutaka

2016-03-01

Ambipolar switching behavior was observed in a silver nanoparticle (AgNP)-based single-electron transistor (SET) with tetra-tert-butyl copper phthalocyanine (ttbCuPc) as a molecular floating gate. Depending on the wavelength of the incident light, the stability diagram shifted to the negative and positive directions along the gate voltage axis. These results were explained by the photoinduced charging of ttbCuPc molecules in the vicinity of AgNPs. Moreover, multiple device states were induced by the light irradiation at a wavelength of 600 nm, suggesting that multiple ttbCuPc molecules individually worked as a floating gate.

Direct imaging of coexisting ordered and frustrated sublattices in artificial ferromagnetic quasicrystals

DOE PAGES

Farmer, B.; Bhat, V. S.; Balk, A.; ...

2016-04-25

Here, we have used scanning electron microscopy with polarization analysis and photoemission electron microscopy to image the two-dimensional magnetization of permalloy films patterned into Penrose P2 tilings (P2T). The interplay of exchange interactions in asymmetrically coordinated vertices and short-range dipole interactions among connected film segments stabilize magnetically ordered, spatially distinct sublattices that coexist with frustrated sublattices at room temperature. Numerical simulations that include long-range dipole interactions between sublattices agree with images of as-grown P2T samples and predict a magnetically ordered ground state for a two-dimensional quasicrystal lattice of classical Ising spins.

Pressure-induced phase transition of KTa1/2Nb1/2O3 solid solutions: A first-principles study

NASA Astrophysics Data System (ADS)

Zhang, Huadi; Liu, Bing; Zhang, Cong; Qiu, Chengcheng; Wang, Xuping; Zhang, Yuanyuan; Lv, Xianshun; Wei, Lei; Li, Qinggang

2018-05-01

The structures and electronic properties of KTa1/2Nb1/2O3 under high pressures have been investigated using the first-principles calculations. Three candidates with B site cation ordered along the [1 0 0], [1 1 0] and [1 1 1] directions are found stable under different pressures by thermodynamics, mechanics and dynamics stability criteria. Further electronic analysis indicates that three structures are semiconductors with different band-gap characteristics. The peculiar chemical bonds of Nb-O and Ta-O are expected to be related to the different electronegativity of the corresponding cations.

Low-energy Cathodoluminescence for (Oxy)Nitride Phosphors

PubMed Central

Cho, Yujin; Dierre, Benjamin; Sekiguchi, Takashi; Suehiro, Takayuki; Takahashi, Kohsei; Takeda, Takashi; Xie, Rong-Jun; Yamamoto, Yoshinobu; Hirosaki, Naoto

2016-01-01

Nitride and oxynitride (Sialon) phosphors are good candidates for the ultraviolet and visible emission applications. High performance, good stability and flexibility of their emission properties can be achieved by controlling their composition and dopants. However, a lot of work is still required to improve their properties and to reduce the production cost. A possible approach is to correlate the luminescence properties of the Sialon particles with their local structural and chemical environment in order to optimize their growth parameters and find novel phosphors. For such a purpose, the low-voltage cathodoluminescence (CL) microscopy is a powerful technique. The use of electron as an excitation source allows detecting most of the luminescence centers, revealing their luminescence distribution spatially and in depth, directly comparing CL results with the other electron-based techniques, and investigating the stability of their luminescence properties under stress. Such advantages for phosphors characterization will be highlighted through examples of investigation on several Sialon phosphors by low-energy CL. PMID:27911365

Unraveling irradiation induced grain growth with in situ transmission electron microscopy and coordinated modeling

DOE PAGES

Bufford, D. C.; Abdeljawad, F. F.; Foiles, S. M.; ...

2015-11-09

Here, nanostructuring has been proposed as a method to enhance radiation tolerance, but many metallic systems are rejected due to significant concerns regarding long term grain boundary and interface stability. This work utilized recent advancements in transmission electron microscopy (TEM) to quantitatively characterize the grain size, texture, and individual grain boundary character in a nanocrystalline gold model system before and after in situ TEM ion irradiation with 10 MeV Si. The initial experimental measurements were fed into a mesoscale phase field model, which incorporates the role of irradiation-induced thermal events on boundary properties, to directly compare the observed and simulatedmore » grain growth with varied parameters. The observed microstructure evolution deviated subtly from previously reported normal grain growth in which some boundaries remained essentially static. In broader terms, the combined experimental and modeling techniques presented herein provide future avenues to enhance quantification and prediction of the thermal, mechanical, or radiation stability of grain boundaries in nanostructured crystalline systems.« less

The Calculation Study of Electronic Properties of Doped RE (Eu, Er and Tm)-GaN using Density Functional Theory

NASA Astrophysics Data System (ADS)

Zaharo, Aflah; Purqon, Acep

2017-07-01

The calculation of the structure and electronic properties of Rare Earth (RE) at the wurtzite Gallium Nitride (GaN) based on DFT has completed. GGA approximation used for exchange correlation and Ultra soft pseudo potential too. The stability structure of GaN is seen that difference lattice parameter 11% lower than another calculation and experiment result. It is shown the stability structure GaN have direct band gap energy on Gamma point hexagonal lattice Brillouin zone. The width Eg is 2.6 eV. When one atom Ga is substituted with one atom RE, the bond length is change 12 % longest. An in good agreement with theoretical doping RE concentration increases, the edge of energy level shifted towards to make the band gap narrow which is allow the optical transitions and help to improve the optical performance of GaN. The RE doped GaN is potentially applicable for various color of LED with lower energy consumption and potentially energy saving application

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

Kaothekar, Sachin, E-mail: sackaothekar@gmail.com

I have studied the effects of finite electron inertia, finite ion Larmor radius (FLR) corrections, and radiative heat-loss function on the thermal instability of an infinite homogeneous, viscous plasma incorporating the effect of thermal conductivity for star formation in interstellar medium (ISM). A general dispersion relation is derived using the normal mode analysis method with the help of relevant linearized perturbation equations of the problem. The wave propagation is discussed for longitudinal and transverse directions to the external magnetic field and the conditions of modified thermal instabilities and stabilities are discussed in different cases. We find that the thermal instabilitymore » criterion is get modified into radiative instability criterion by inclusion of radiative heat-loss functions with thermal conductivity. The viscosity of medium removes the effect of FLR corrections from the condition of radiative instability. Numerical calculation shows stabilizing effect of heat-loss function, viscosity and FLR corrections, and destabilizing effect of finite electron inertia on the thermal instability. Results carried out in this paper shows that stars are formed in interstellar medium mainly due to thermal instability.« less

Immobilization of glucose oxidase into a nanoporous TiO₂ film layered on metallophthalocyanine modified vertically-aligned carbon nanotubes for efficient direct electron transfer.

PubMed

Cui, Hui-Fang; Zhang, Kuan; Zhang, Yong-Fang; Sun, Yu-Long; Wang, Jia; Zhang, Wei-De; Luong, John H T

2013-08-15

Glucose oxidase (GOD) was adsorbed into a nanoporous TiO₂ film layered on the surface of an iron phthalocyanine (FePc) vertically-aligned carbon nanotube (CNT) modified electrode. A Nafion film was then dropcast on the electrode's surface to improve operational and storage stabilities of the GOD-based electrode. Scanning electron microscopy (SEM) micrographs revealed the formation of FePc and nanoporous TiO₂ nanoparticles along the sidewall and the tip of CNTs. Cyclic voltammograms of the GOD electrode in neutral PBS exhibited a pair of well-defined redox peaks, attesting the direct electron transfer of GOD (FAD/FADH₂) with the underlying electrode. The potential of glucose electro-oxidation under nitrogen was ∼+0.12 V with an oxidation current density of 65.3 μA cm(-2) at +0.77 V. Voltammetric and amperometric responses were virtually unaffected by oxygen, illustrating an efficient and fast direct electron transfer. The modification of the CNT surface with FePc resulted in a biosensor with remarkable detection sensitivity with an oxygen-independent bioelectrocatalysis. In deaerated PBS, the biosensor displayed average response time of 12 s, linearity from 50 μM to 4 mM, and a detection limit of 30 μM (S/N=3) for glucose. Copyright © 2013 Elsevier B.V. All rights reserved.

25th anniversary article: progress in chemistry and applications of functional indigos for organic electronics.

PubMed

Głowacki, Eric Daniel; Voss, Gundula; Sariciftci, Niyazi Serdar

2013-12-17

Indigo and its derivatives are dyes and pigments with a long and distinguished history in organic chemistry. Recently, applications of this 'old' structure as a functional organic building block for organic electronics applications have renewed interest in these molecules and their remarkable chemical and physical properties. Natural-origin indigos have been processed in fully bio-compatible field effect transistors, operating with ambipolar mobilities up to 0.5 cm(2) /Vs and air-stability. The synthetic derivative isoindigo has emerged as one of the most successful building-blocks for semiconducting polymers for plastic solar cells with efficiencies > 5%. Another isomer of indigo, epindolidione, has also been shown to be one of the best reported organic transistor materials in terms of mobility (∼2 cm(2) /Vs) and stability. This progress report aims to review very recent applications of indigoids in organic electronics, but especially to logically bridge together the hereto independent research directions on indigo, isoindigo, and other materials inspired by historical dye chemistry: a field which was the root of the development of modern chemistry in the first place. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Direct Measurement of the Nanomechanical Stability of a Redox Protein Active Site and Its Dependence upon Metal Binding.

PubMed

Giannotti, Marina I; Cabeza de Vaca, Israel; Artés, Juan M; Sanz, Fausto; Guallar, Victor; Gorostiza, Pau

2015-09-10

The structural basis of the low reorganization energy of cupredoxins has long been debated. These proteins reconcile a conformationally heterogeneous and exposed metal-chelating site with the highly rigid copper center required for efficient electron transfer. Here we combine single-molecule mechanical unfolding experiments with statistical analysis and computer simulations to show that the metal-binding region of apo-azurin is mechanically flexible and that high mechanical stability is imparted by copper binding. The unfolding pathway of the metal site depends on the pulling residue and suggests that partial unfolding of the metal-binding site could be facilitated by the physical interaction with certain regions of the redox protein.

Direct electron transfer of glucose oxidase and biosensing for glucose based on PDDA-capped gold nanoparticle modified graphene/multi-walled carbon nanotubes electrode.

PubMed

Yu, Yanyan; Chen, Zuanguang; He, Sijing; Zhang, Beibei; Li, Xinchun; Yao, Meicun

2014-02-15

In this work, poly (diallyldimethylammonium chloride) (PDDA)-capped gold nanoparticles (AuNPs) functionalized graphene (G)/multi-walled carbon nanotubes (MWCNTs) nanocomposites were fabricated. Based on the electrostatic attraction, the G/MWCNTs hybrid material can be decorated with AuNPs uniformly and densely. The new hierarchical nanostructure can provide a larger surface area and a more favorable microenvironment for electron transfer. The AuNPs/G/MWCNTs nanocomposite was used as a novel immobilization platform for glucose oxidase (GOD). Direct electron transfer (DET) was achieved between GOD and the electrode. Field emission scanning electron microscopy (FESEM), UV-vis spectroscopy and cyclic voltammetry (CV) were used to characterize the electrochemical biosensor. The glucose biosensor fabricated based on GOD electrode modified with AuNPs/G/MWCNTs demonstrated satisfactory analytical performance with high sensitivity (29.72mAM(-1)cm(-2)) and low limit of detection (4.8 µM). The heterogeneous electron transfer rate constant (ΚS) and the apparent Michaelis-Menten constant (Km) of GOD were calculated to be 11.18s(-1) and 2.09 mM, respectively. With satisfactory selectivity, reproducibility, and stability, the nanostructure we proposed offered an alternative for electrode fabricating and glucose biosensing. © 2013 Elsevier B.V. All rights reserved.

Investigations of optical and thermoelectric response of direct band gap Ca3XO (X = Si, Ge) anti-perovskites stabilized in cubic and orthorhombic phases

NASA Astrophysics Data System (ADS)

Mahmood, Q.; Ashraf, A.; Hassan, M.

2018-02-01

We predict the phase dependent electronic properties for elaborating the optical and thermoelectric behaviors of both cubic (Pm-3m) and orthorhombic (Pbnm) Ca3XO (X = Si, Ge) antiperovskites using first-principles density functional theory (DFT) computations. The mBJ functional is employed for computing the most accurate electronic characteristics. A direct band gap semiconducting nature has been found appearing due to hybridization between O and Si/Ge p-states. The calculated band gaps lying in the infrared energy region suggest that the studied anti-perovskites can absorb visible and ultraviolet energy revealing potential optoelectronics device applications. Moreover, the important thermoelectric parameters are computed for illustrating the potential thermoelectric applications. Hence, the studied anti-perovskites can simultaneously exhibit various flexible material properties, which reveal their worth for the devices demonstrating versatile characteristics.

Electronic and magnetic properties of MoSe2 armchair nanoribbons controlled by the different edge structures

NASA Astrophysics Data System (ADS)

Zhang, Hui; Zhao, Xu; Gao, Yonghui; Wang, Haiyang; Wang, Tianxing; Wei, Shuyi

2018-03-01

Tow-dimensional materials obviously have potential applications in next-generation nanodevices because of their extraordinary physical and chemical properties and the demands of the market. Using first-principle calculation based on density functional theory, we explore electronic and magnetic properties of the different nanoribbons with various edge structures, namely, with hydrogenation or not. In addition, we also calculate the binding energy to analyze the stability of the nanoribbon. Our calculations tell us that the passivated nanoribbons have the positive binding energies, which indicates the passivated nanoribbons are relative stable and hydrogenation can improve the stability of the bare nanoribbons due to the reduction of the dangling bonds. Among of them, full hydrogenation has the highest stability. We find all the nanoribbons with full and without hydrogenation are nonmagnetic semiconductors. It is worth mentioning that hydrogenation can induce the bare nanoribbons to transform gradually from indirect band gap semiconductor to direct band gap semiconductor, even to half-metal. In addition, the magnetic moment of the bare nanoribbon change bit by bit as the rate of hydrogenation increases. When the edge atoms are fully hydrogenated, the magnetic moment return to zero. What's more, our research results still confirm that electronic and magnetic properties of the nanorribons without and with different edge passivation are mainly contributed by the atoms at the edges. These studies about MoSe2 nanoribbons will shed light on the further development of the relevant nanodevices in versatile applications, such as spintronics and energy harvesting.

3D structure of individual nanocrystals in solution by electron microscopy

NASA Astrophysics Data System (ADS)

Park, Jungwon; Elmlund, Hans; Ercius, Peter; Yuk, Jong Min; Limmer, David T.; Chen, Qian; Kim, Kwanpyo; Han, Sang Hoon; Weitz, David A.; Zettl, A.; Alivisatos, A. Paul

2015-07-01

Knowledge about the synthesis, growth mechanisms, and physical properties of colloidal nanoparticles has been limited by technical impediments. We introduce a method for determining three-dimensional (3D) structures of individual nanoparticles in solution. We combine a graphene liquid cell, high-resolution transmission electron microscopy, a direct electron detector, and an algorithm for single-particle 3D reconstruction originally developed for analysis of biological molecules. This method yielded two 3D structures of individual platinum nanocrystals at near-atomic resolution. Because our method derives the 3D structure from images of individual nanoparticles rotating freely in solution, it enables the analysis of heterogeneous populations of potentially unordered nanoparticles that are synthesized in solution, thereby providing a means to understand the structure and stability of defects at the nanoscale.

Electronic Biosensors Based on III-Nitride Semiconductors.

PubMed

Kirste, Ronny; Rohrbaugh, Nathaniel; Bryan, Isaac; Bryan, Zachary; Collazo, Ramon; Ivanisevic, Albena

2015-01-01

We review recent advances of AlGaN/GaN high-electron-mobility transistor (HEMT)-based electronic biosensors. We discuss properties and fabrication of III-nitride-based biosensors. Because of their superior biocompatibility and aqueous stability, GaN-based devices are ready to be implemented as next-generation biosensors. We review surface properties, cleaning, and passivation as well as different pathways toward functionalization, and critically analyze III-nitride-based biosensors demonstrated in the literature, including those detecting DNA, bacteria, cancer antibodies, and toxins. We also discuss the high potential of these biosensors for monitoring living cardiac, fibroblast, and nerve cells. Finally, we report on current developments of covalent chemical functionalization of III-nitride devices. Our review concludes with a short outlook on future challenges and projected implementation directions of GaN-based HEMT biosensors.

Effect of molecular desorption on the electronic properties of self-assembled polarizable molecular monolayers.

PubMed

Wang, Gunuk; Jeong, Hyunhak; Ku, Jamin; Na, Seok-In; Kang, Hungu; Ito, Eisuke; Jang, Yun Hee; Noh, Jaegeun; Lee, Takhee

2014-04-01

We investigated the interfacial electronic properties of self-assembled monolayers (SAM)-modified Au metal surface at elevated temperatures. We observed that the work functions of the Au metal surfaces modified with SAMs changed differently under elevated-temperature conditions based on the type of SAMs categorized by three different features based on chemical anchoring group, molecular backbone structure, and the direction of the dipole moment. The temperature-dependent work function of the SAM-modified Au metal could be explained in terms of the molecular binding energy and the thermal stability of the SAMs, which were investigated with thermal desorption spectroscopic measurements and were explained with molecular modeling. Our study will aid in understanding the electronic properties at the interface between SAMs and metals in organic electronic devices if an annealing treatment is applied. Copyright © 2013 Elsevier Inc. All rights reserved.

Control of the diocotron instability of a hollow electron beam with periodic dipole magnets

DOE PAGES

Jo, Y. H.; Kim, J. S.; Stancari, G.; ...

2017-12-28

A method to control the diocotron instability of a hollow electron beam with peri-odic dipole magnetic fields has been investigated by a two-dimensional particle-in-cell simulation. At first, relations between the diocotron instability and several physical parameters such as the electron number density, current and shape of the electron beam, and the solenoidal field strength are theoretically analyzed without periodic dipole magnetic fields. Then, we study the effects of the periodic dipole magnetic fields on the diocotron instability using the two-dimensional particle-in-cell simulation. In the simulation, we considered the periodic dipole magnetic field applied along the propagation direction of the beam,more » as a temporally varying magnetic field in the beam frame. Lastly, a stabilizing effect is observed when the oscillating frequency of the dipole magnetic field is optimally chosen, which increases with the increasing amplitude of the dipole magnetic field.« less

Influence of mitochondrial efficiency on beef lean color stability

USDA-ARS?s Scientific Manuscript database

Loss of electrons in the electron transport chain has been implicated as a source of variation in feed efficiency of meat producing animals. The present study was conducted to evaluate the effects of electron loss during electron transport on beef lean color stability. Beef carcasses (n = 91) were...

Optimization of vehicle-trailer connection systems

NASA Astrophysics Data System (ADS)

Sorge, F.

2016-09-01

The three main requirements of a vehicle-trailer connection system are: en route stability, over- or under-steering restraint, minimum off-tracking along curved path. Linking the two units by four-bar trapeziums, wider stability margins may be attained in comparison with the conventional pintle-hitch for both instability types, divergent or oscillating. The stability maps are traced applying the Hurwitz method or the direct analysis of the characteristic equation at the instability threshold. Several types of four-bar linkages may be quickly tested, with the drawbars converging towards the trailer or the towing unit. The latter configuration appears preferable in terms of self-stability and may yield high critical speeds by optimising the geometrical and physical properties. Nevertheless, the system stability may be improved in general by additional vibration dampers in parallel with the connection linkage. Moreover, the four-bar connection may produce significant corrections of the under-steering or over-steering behaviour of the vehicle-train after a steering command from the driver. The off- tracking along the curved paths may be also optimized or kept inside prefixed margins of acceptableness. Activating electronic stability systems if necessary, fair results are obtainable for both the steering conduct and the off-tracking.

Role of zonal flows in trapped electron mode turbulence through nonlinear gyrokinetic particle and continuum simulationa)

NASA Astrophysics Data System (ADS)

Ernst, D. R.; Lang, J.; Nevins, W. M.; Hoffman, M.; Chen, Y.; Dorland, W.; Parker, S.

2009-05-01

Trapped electron mode (TEM) turbulence exhibits a rich variety of collisional and zonal flow physics. This work explores the parametric variation of zonal flows and underlying mechanisms through a series of linear and nonlinear gyrokinetic simulations, using both particle-in-cell and continuum methods. A new stability diagram for electron modes is presented, identifying a critical boundary at ηe=1, separating long and short wavelength TEMs. A novel parity test is used to separate TEMs from electron temperature gradient driven modes. A nonlinear scan of ηe reveals fine scale structure for ηe≳1, consistent with linear expectation. For ηe<1, zonal flows are the dominant saturation mechanism, and TEM transport is insensitive to ηe. For ηe>1, zonal flows are weak, and TEM transport falls inversely with a power law in ηe. The role of zonal flows appears to be connected to linear stability properties. Particle and continuum methods are compared in detail over a range of ηe=d ln Te/d ln ne values from zero to five. Linear growth rate spectra, transport fluxes, fluctuation wavelength spectra, zonal flow shearing spectra, and correlation lengths and times are in close agreement. In addition to identifying the critical parameter ηe for TEM zonal flows, this paper takes a challenging step in code verification, directly comparing very different methods of simulating simultaneous kinetic electron and ion dynamics in TEM turbulence.

X-Ray Microanalysis and Electron Energy Loss Spectrometry in the Analytical Electron Microscope: Review and Future Directions

NASA Technical Reports Server (NTRS)

Goldstein, J. I.; Williams, D. B.

1992-01-01

This paper reviews and discusses future directions in analytical electron microscopy for microchemical analysis using X-ray and Electron Energy Loss Spectroscopy (EELS). The technique of X-ray microanalysis, using the ratio method and k(sub AB) factors, is outlined. The X-ray absorption correction is the major barrier to the objective of obtaining I% accuracy and precision in analysis. Spatial resolution and Minimum Detectability Limits (MDL) are considered with present limitations of spatial resolution in the 2 to 3 microns range and of MDL in the 0.1 to 0.2 wt. % range when a Field Emission Gun (FEG) system is used. Future directions of X-ray analysis include improvement in X-ray spatial resolution to the I to 2 microns range and MDL as low as 0.01 wt. %. With these improvements the detection of single atoms in the analysis volume will be possible. Other future improvements include the use of clean room techniques for thin specimen preparation, quantification available at the I% accuracy and precision level with light element analysis quantification available at better than the 10% accuracy and precision level, the incorporation of a compact wavelength dispersive spectrometer to improve X-ray spectral resolution, light element analysis and MDL, and instrument improvements including source stability, on-line probe current measurements, stage stability, and computerized stage control. The paper reviews the EELS technique, recognizing that it has been slow to develop and still remains firmly in research laboratories rather than in applications laboratories. Consideration of microanalysis with core-loss edges is given along with a discussion of the limitations such as specimen thickness. Spatial resolution and MDL are considered, recognizing that single atom detection is already possible. Plasmon loss analysis is discussed as well as fine structure analysis. New techniques for energy-loss imaging are also summarized. Future directions in the EELS technique will be the development of new spectrometers and improvements in thin specimen preparation. The microanalysis technique needs to be simplified and software developed so that the EELS technique approaches the relative simplicity of the X-ray technique. Finally, one can expect major improvements in EELS imaging as data storage and processing improvements occur.

Production and aging of paramagnetic point defects in P-doped floating zone silicon irradiated with high fluence 27 MeV electrons

NASA Astrophysics Data System (ADS)

Joita, A. C.; Nistor, S. V.

2018-04-01

Enhancing the long term stable performance of silicon detectors used for monitoring the position and flux of the particle beams in high energy physics experiments requires a better knowledge of the nature, stability, and transformation properties of the radiation defects created over the operation time. We report the results of an electron spin resonance investigation in the nature, transformation, and long term stability of the irradiation paramagnetic point defects (IPPDs) produced by high fluence (2 × 1016 cm-2), high energy (27 MeV) electrons in n-type, P-doped standard floating zone silicon. We found out that both freshly irradiated and aged (i.e., stored after irradiation for 3.5 years at 250 K) samples mainly contain negatively charged tetravacancy and pentavacancy defects in the first case and tetravacancy defects in the second one. The fact that such small cluster vacancy defects have not been observed by irradiation with low energy (below 5 MeV) electrons, but were abundantly produced by irradiation with neutrons, strongly suggests the presence of the same mechanism of direct formation of small vacancy clusters by irradiation with neutrons and high energy, high fluence electrons, in agreement with theoretical predictions. Differences in the nature and annealing properties of the IPPDs observed between the 27 MeV electrons freshly irradiated, and irradiated and aged samples were attributed to the presence of a high concentration of divacancies in the freshly irradiated samples, defects which transform during storage at 250 K through diffusion and recombination processes.

Ultra-fast electron capture by electrosterically-stabilized gold nanoparticles.

PubMed

Ghandi, Khashayar; Findlater, Alexander D; Mahimwalla, Zahid; MacNeil, Connor S; Awoonor-Williams, Ernest; Zahariev, Federico; Gordon, Mark S

2015-07-21

Ultra-fast pre-solvated electron capture has been observed for aqueous solutions of room-temperature ionic liquid (RTIL) surface-stabilized gold nanoparticles (AuNPs; ∼9 nm). The extraordinarily large inverse temperature dependent rate constants (k(e)∼ 5 × 10(14) M(-1) s(-1)) measured for the capture of electrons in solution suggest electron capture by the AuNP surface that is on the timescale of, and therefore in competition with, electron solvation and electron-cation recombination reactions. The observed electron transfer rates challenge the conventional notion that radiation induced biological damage would be enhanced in the presence of AuNPs. On the contrary, AuNPs stabilized by non-covalently bonded ligands demonstrate the potential to quench radiation-induced electrons, indicating potential applications in fields ranging from radiation therapy to heterogeneous catalysis.

Probing eudesmane cation-π interactions in catalysis by aristolochene synthase with non-canonical amino acids.

PubMed

Faraldos, Juan A; Antonczak, Alicja K; González, Verónica; Fullerton, Rebecca; Tippmann, Eric M; Allemann, Rudolf K

2011-09-07

Stabilization of the reaction intermediate eudesmane cation (3) through interaction with Trp 334 during catalysis by aristolochene synthase from Penicillium roqueforti was investigated by site-directed incorporation of proteinogenic and non-canonical aromatic amino acids. The amount of germacrene A (2) generated by the mutant enzymes served as a measure of the stabilization of 3. 2 is a neutral intermediate, from which 3 is formed during PR-AS catalysis by protonation of the C6,C7 double bond. The replacement of Trp 334 with para-substituted phenylalanines of increasing electron-withdrawing properties led to a progressive accumulation of 2 that showed a good correlation with the interaction energies of simple cations such as Na(+) with substituted benzenes. These results provide compelling evidence for the stabilizing role played by Trp 334 in aristolochene synthase catalysis for the energetically demanding transformation of 2 to 3.

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

Evaluation of electron beam stabilization for ion implant processing

NASA Astrophysics Data System (ADS)

Buffat, Stephen J.; Kickel, Bee; Philipps, B.; Adams, J.; Ross, Matthew F.; Minter, Jason P.; Marlowe, Trey; Wong, Selmer S.

1999-06-01

With the integration of high energy ion implant processes into volume CMOS manufacturing, the need for thick resist stabilization to achieve a stable ion implant process is critical. With new photoresist characteristics, new implant end station characteristics arise. The resist outgassing needs to be addressed as well as the implant profile to ensure that the dosage is correct and the implant angle does not interfere with other underlying features. This study compares conventional deep-UV/thermal with electron beam stabilization. The electron beam system used in this study utilizes a flood electron source and is a non-thermal process. These stabilization techniques are applied to a MeV ion implant process in a CMOS production process flow.

Adsorption orientation effects of porphyrin dyes on the performance of DSSC: Comparison of benzoic acid and tropolone anchoring groups binding onto the TiO2 anatase (101) surface

NASA Astrophysics Data System (ADS)

Zhu, Han-Cheng; Zhang, Ji; Wang, Ying-Lin

2018-03-01

A new porphyrin dye with tropolone anchoring group showing superior stability but lower efficiency versus the promising dye YD2-o-C8 with benzoic acid anchoring group was theoretically investigated for the first time. A series of important parameters related to the efficiency of DSSC were calculated to explore the nature of the experimentally observed lower efficiency and superior stability of tropolone-based solar cells. We found these two dyes with different anchoring groups show comparable electron injection and dye regeneration process. Interestingly, the red-shifted absorption spectrum, relatively weaker ability of releasing protons, and the larger conduction band energy shift of tropolone-based dyes all demonstrated it should show better performance than the benzoic acid dyes, which contradicts with the experimental results. However, through investigating the interaction between the porphyrin dye and the semiconductor by analyzing the electron localization function of the porphyrin dye and preforming energy decomposition analysis, we found that the direction of lone-pair electrons of carbonyl oxygen in the tropolone-based dye makes the dye prefer to adsorb on the surface in an inclined way, in contrary to the benzoic acid-based dye that favored a vertical adsorption. The inclined adsorption could significantly accelerate the charge recombination process between the injected electrons and the oxidized dye, leading to a decreased efficiency of DSSC.

Thermally Stabilized Transmit/Receive Modules

NASA Technical Reports Server (NTRS)

Hoffman, James; DelCastillo, Linda; Miller, Jennifer; Birur, Gaj

2011-01-01

RF-hybrid technologies enable smaller packaging and mass reduction in radar instruments, especially for subsystems with dense electronics, such as electronically steered arrays. We are designing thermally stabilized RF-hybrid T/R modules using new materials for improved thermal performance of electronics. We are combining advanced substrate and housing materials with a thermal reservoir material, and develop new packaging techniques to significantly improve thermal-cycling reliability and performance stability over temperature.

Geophysical methods for monitoring soil stabilization processes

NASA Astrophysics Data System (ADS)

Saneiyan, Sina; Ntarlagiannis, Dimitrios; Werkema, D. Dale; Ustra, Andréa

2018-01-01

Soil stabilization involves methods used to turn unconsolidated and unstable soil into a stiffer, consolidated medium that could support engineered structures, alter permeability, change subsurface flow, or immobilize contamination through mineral precipitation. Among the variety of available methods carbonate precipitation is a very promising one, especially when it is being induced through common soil borne microbes (MICP - microbial induced carbonate precipitation). Such microbial mediated precipitation has the added benefit of not harming the environment as other methods can be environmentally detrimental. Carbonate precipitation, typically in the form of calcite, is a naturally occurring process that can be manipulated to deliver the expected soil strengthening results or permeability changes. This study investigates the ability of spectral induced polarization and shear-wave velocity for monitoring calcite driven soil strengthening processes. The results support the use of these geophysical methods as soil strengthening characterization and long term monitoring tools, which is a requirement for viable soil stabilization projects. Both tested methods are sensitive to calcite precipitation, with SIP offering additional information related to long term stability of precipitated carbonate. Carbonate precipitation has been confirmed with direct methods, such as direct sampling and scanning electron microscopy (SEM). This study advances our understanding of soil strengthening processes and permeability alterations, and is a crucial step for the use of geophysical methods as monitoring tools in microbial induced soil alterations through carbonate precipitation.

Investigations of mechanical, electronic, and magnetic properties of non-magnetic MgTe and ferro-magnetic Mg0.75 TM 0.25Te (TM = Fe, Co, Ni): An ab-initio calculation

NASA Astrophysics Data System (ADS)

Q, Mahmood; S, M. Alay-e.-Abbas; I, Mahmood; Mahmood, Asif; N, A. Noor

2016-04-01

The mechanical, electronic and magnetic properties of non-magnetic MgTe and ferro-magnetic (FM) Mg0.75 TM 0.25Te (TM = Fe, Co, Ni) in the zinc-blende phase are studied by ab-initio calculations for the first time. We use the generalized gradient approximation functional for computing the structural stability, and mechanical properties, while the modified Becke and Johnson local (spin) density approximation (mBJLDA) is utilized for determining the electronic and magnetic properties. By comparing the energies of non-magnetic and FM calculations, we find that the compounds are stable in the FM phase, which is confirmed by their structural stabilities in terms of enthalpy of formation. Detailed descriptions of elastic properties of Mg0.75 TM 0.25Te alloys in the FM phase are also presented. For electronic properties, the spin-polarized electronic band structures and density of states are computed, showing that these compounds are direct bandgap materials with strong hybridizations of TM 3d states and Te p states. Further, the ferromagnetism is discussed in terms of the Zener free electron model, RKKY model and double exchange model. The charge density contours in the (110) plane are calculated to study bonding properties. The spin exchange splitting and crystal field splitting energies are also calculated. The distribution of electron spin density is employed in computing the magnetic moments appearing at the magnetic sites (Fe, Co, Ni), as well as at the non-magnetic sites (Mg, Te). It is found that the p-d hybridization causes not only magnetic moments on the magnetic sites but also induces negligibly small magnetic moments at the non-magnetic sites.

Gyrofluid theory and simulation of electromagnetic turbulence and transport in tokamak plasmas

NASA Astrophysics Data System (ADS)

Snyder, Philip Benjamin

1999-11-01

Turbulence and transport in toroidal plasmas is studied via the development of an electromagnetic gyrofluid model, and its implementation in realistic nonlinear simulations. This work extends earlier electrostatic gyrofluid models to include magnetic fluctuations and non-adiabatic passing electron dynamics. A new set of electron fluid equations is derived from the drift kinetic equation, via an expansion in the electron-ion mass ratio. These electron equations include descriptions of linear and nonlinear drift motion, Landau damping, and electron-ion collisions. Ion moment equations are derived from the electromagnetic gyrokinetic equation, and the gyrokinetic Poisson's Equation and Ampere's Law close the system. The model is benchmarked with linear gyrokinetic calculations, and good agreement is found for both the finite-β ion temperature gradient (ITG) and kinetic Alfvén ballooning (KBM) instabilities. Nonlinear simulations of ITG and KBM-driven turbulence are performed in toroidal flux tube geometry at a range of values of plasma β, and electromagnetic effects are found to significantly impact turbulent heat and particle transport. At low values of β, transport is reduced, as expected due to the finite-β stabilization of the ITG mode. However, as β approaches the Ideal-MHD stability threshold, transport can increase. In the presence of dissipation provided by a model of electron Landau damping and electron-ion collisions, this transport increase can be quite dramatic. Finally, the results of the simulations are compared to tokamak experiments, and encouraging agreement is found with measured density and temperature fluctuation spectra. Direct comparisons of transport fluxes reveal that electromagnetic effects are important at characteristic edge parameters, bringing predicted fluxes more closely in line with observations.

Dynamics of High Temperature Plasmas.

DTIC Science & Technology

1985-10-01

25 VI. > LASER BEAT WAVE PARTICLE ACCELERATION-.. ..... .. 27 ,, VII. ORBITRON MASER DESIGN .. ..... ............. 30 0 VIIM> ELECTRON BEAM STABILITY...IN THE MODIFIED BETATRON .... ............ 32 IX. * RELATIVISTIC ELECTRON BEAM DIODE DESIGN . . . . 35 X. FREE ELECTRON LASER APPLICATION TO XUV...Accelerators (B), VI. Laser Beat Wave Particle Acceleration, VII. Orbitron Maser Design , VIII. Electron Beam Stability in the Modified Betatron, IX

An optical storage cavity-based, Compton-backscatter x-ray source using the MKV free electron laser

NASA Astrophysics Data System (ADS)

Hadmack, Michael R.

A compact, high-brightness x-ray source is presently under development at the University of Hawai`i Free Electron Laser Laboratory. This source utilizes Compton backscattering of an infrared laser from a relativistic electron beam to produce a narrow beam of monochromatic x-rays. The scattering efficiency is greatly increased by tightly focusing the two beams at an interaction point within a near-concentric optical storage cavity, designed with high finesse to coherently stack the incident laser pulses and greatly enhance the number of photons available for scattering with the electron beam. This dissertation describes the effort and progress to integrate and characterize the most important and challenging aspects of the design of this system. A low-power, near-concentric, visible-light storage cavity has been constructed as a tool for the exploration of the performance, alignment procedures, and diagnostics required for the operation of a high power infrared storage cavity. The use of off-axis reflective focussing elements is essential to the design of the optical storage cavity, but requires exquisite alignment to minimize astigmatism and other optical aberrations. Experiments using a stabilized HeNe laser have revealed important performance characteristics, and allowed the development of critical alignment and calibration procedures, which can be directly applied to the high power infrared storage cavity. Integration of the optical and electron beams is similarly challenging. A scanning-wire beam profiler has been constructed and tested, which allows for high resolution measurement of the size and position of the laser and electron beams at the interaction point. This apparatus has demonstrated that the electron and laser beams can be co-aligned with a precision of less than 10 microm, as required to maximize the x-ray production rate. Equally important is the stabilization of the phase of the GHz repetition rate electron pulses arriving at the interaction point and driving the FEL. A feed-forward amplitude and phase compensation system has been built and demonstrated to substantially improve the uniformity of the electron bunch phase, thus enhancing both the laser performance and the beam stability required for efficient x-ray production. Results of all of these efforts are presented, together with a summary of future work.

Stability of the tungsten diselenide and silicon carbide heterostructure against high energy proton exposure

NASA Astrophysics Data System (ADS)

Walker, Roger C.; Shi, Tan; Jariwala, Bhakti; Jovanovic, Igor; Robinson, Joshua A.

2017-10-01

Single layers of tungsten diselenide (WSe2) can be used to construct ultra-thin, high-performance electronics. Additionally, there has been considerable progress in controlled and direct growth of single layers on various substrates. Based on these results, high-quality WSe2-based devices that approach the limit of physical thickness are now possible. Such devices could be useful for space applications, but understanding how high-energy radiation impacts the properties of WSe2 and the WSe2/substrate interface has been lacking. In this work, we compare the stability against high energy proton radiation of WSe2 and silicon carbide (SiC) heterostructures generated by mechanical exfoliation of WSe2 flakes and by direct growth of WSe2 via metal-organic chemical vapor deposition (MOCVD). These two techniques produce WSe2/SiC heterostructures with distinct differences due to interface states generated during the MOCVD growth process. This difference carries over to differences in band alignment from interface states and the ultra-thin nature of the MOCVD-grown material. Both heterostructures are not susceptible to proton-induced charging up to a dose of 1016 protons/cm2, as measured via shifts in the binding energy of core shell electrons and a decrease in the valence band offset. Furthermore, the MOCVD-grown material is less affected by the proton exposure due to its ultra-thin nature and a greater interaction with the substrate. These combined effects show that the directly grown material is suitable for multi-year use in space, provided that high quality devices can be fabricated from it.

Valence State Driven Site Preference in the Quaternary Compound Ca5MgAgGe5: An Electron-Deficient Phase with Optimized Bonding

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

Ponou, Simeon; Lidin, Sven; Zhang, Yuemei

The quaternary phase Ca5Mg0.95Ag1.05(1)Ge5 (3) was synthesized by high-temperature solid-state techniques, and its crystal structure was determined by single-crystal diffraction methods in the orthorhombic space group Pnma – Wyckoff sequence c12 with a = 23.1481(4) Å, b = 4.4736(1) Å, c = 11.0128(2) Å, V = 1140.43(4) Å3, Z = 4. The crystal structure can be described as linear intergrowths of slabs cut from the CaGe (CrB-type) and the CaMGe (TiNiSi-type; M = Mg, Ag) structures. Hence, 3 is a hettotype of the hitherto missing n = 3 member of the structure series with the general formula R2+nT2X2+n, previously describedmore » with n = 1, 2, and 4. The member with n = 3 was predicted in the space group Cmcm – Wyckoff sequence f5c2. The experimental space group Pnma (in the nonstandard setting Pmcn) corresponds to a klassengleiche symmetry reduction of index two of the predicted space group Cmcm. This transition originates from the switching of one Ge and one Ag position in the TiNiSi-related slab, a process that triggers an uncoupling of each of the five 8f sites in Cmcm into two 4c sites in Pnma. The Mg/Ag site preference was investigated using VASP calculations and revealed a remarkable example of an intermetallic compound for which the electrostatic valency principle is a critical structure-directing force. The compound is deficient by one valence electron according to the Zintl concept, but LMTO electronic structure calculations indicate electronic stabilization and overall bonding optimization in the polyanionic network. Other stability factors beyond the Zintl concept that may account for the electronic stabilization are discussed.« less

Graphene-cobaltite-Pd hybrid materials for use as efficient bifunctional electrocatalysts in alkaline direct methanol fuel cells.

PubMed

Sharma, Chandra Shekhar; Awasthi, Rahul; Singh, Ravindra Nath; Sinha, Akhoury Sudhir Kumar

2013-12-14

Hybrid materials comprising of Pd, MCo2O4 (where M = Mn, Co or Ni) and graphene have been prepared for use as efficient bifunctional electrocatalysts in alkaline direct methanol fuel cells. Structural and electrochemical characterizations were carried out using X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, chronoamperometry and cyclic, CO stripping, and linear sweep voltammetries. The study revealed that all the three hybrid materials are active for both methanol oxidation (MOR) and oxygen reduction (ORR) reactions in 1 M KOH. However, the Pd-MnCo2O4/GNS hybrid electrode exhibited the greatest MOR and ORR activities. This active hybrid electrode has also outstanding stability under both MOR and ORR conditions, while Pt- and other Pd-based catalysts undergo degradation under similar experimental conditions. The Pd-MnCo2O4/GNS hybrid catalyst exhibited superior ORR activity and stability compared to even Pt in alkaline solutions.

Extracellular ascorbate stabilization as a result of transplasma electron transfer in Saccharomyces cerevisiae.

PubMed

Santos-Ocaña, C; Navas, P; Crane, F L; Córdoba, F

1995-12-01

The presence of yeast cells in the incubation medium prevents the oxidation of ascrobate catalyzed by copper ions. Ethanol increases ascorbate retention. Pyrazole, an alcohol dehydrogenase inhibitor, prevents ascorbate stabilization by cells. Chelation of copper ions does not account for stabilization, since oxidation rates with broken or boiled cells or conditioned media are similar to control rates in the absence of cells. Protoplast integrity is needed to reach optimal values of stabilization. Chloroquine, a known inhibitor of plasma membrane redox systems, inhibits the ascorbate stabilization, the inhibition being partially reversed by coenzyme Q6. Chloroquine does not inhibit ferricyanide reduction. Growth of yeast in iron-deficient media to increase ferric ion reductase activity also increases the stabilization. In conclusion, extracellular ascorbate stabilization by yeast cells can reflect a coenzyme Q dependent transplasmalemma electron transfer which uses NADH as electron donor. Iron deficiency increases the ascorbate stabilization but the transmembrane ferricyanide reduction system can act independently of ascorbate stabilization.

Mixed-linker UiO-66: structure-property relationships revealed by a combination of high-resolution powder X-ray diffraction and density functional theory calculations.

PubMed

Taddei, Marco; Tiana, Davide; Casati, Nicola; van Bokhoven, Jeroen A; Smit, Berend; Ranocchiari, Marco

2017-01-04

The use of mixed-linker metal-organic frameworks (MIXMOFs) is one of the most effective strategies to modulate the physical-chemical properties of MOFs without affecting the overall crystal structure. In many instances, MIXMOFs have been recognized as solid solutions, with random distribution of ligands, in agreement with the empirical rule known as Vegard's law. In this work, we have undertaken a study combining high-resolution powder X-ray diffraction (HR-PXRD) and density functional theory (DFT) calculations with the aim of understanding the reasons why UiO-66-based amino- and bromo-functionalized MIXMOFs (MIXUiO-66) undergo cell expansion obeying Vegard's law and how this behaviour is related to their physical-chemical properties. DFT calculations predict that the unit cell in amino-functionalized UiO-66 experiences only minor expansion as a result of steric effects, whereas major modification to the electronic features of the framework leads to weaker metal-linker interaction and consequently to the loss of stability at higher degrees of functionalization. For bromo-functionalized UiO-66, steric repulsion due to the size of bromine yields a large cell expansion, but the electronic features remain very similar to pristine UiO-66, preserving the stability of the framework upon functionalization. MIXUiO-66 obtained by either direct synthesis or by post-synthetic exchange shows Vegard-like behaviour, suggesting that both preparation methods yield solid solutions, but the thermal stability and the textural properties of the post-synthetic exchanged materials do not display a clear dependence on the chemical composition, as observed for the MOFs obtained by direct synthesis.

Co-simulation of heavy truck tire dynamics and electronic stability control systems (phase A).

DOT National Transportation Integrated Search

2009-07-01

Electronic stability control (ESC) systems have been proven to be an effective means of preventing instability and loss of control on both passenger vehicles and heavy trucks. In addition, roll stability algorithms are an effective means of reducing ...

Pump-Probe Fragmentation Action Spectroscopy: A Powerful Tool to Unravel Light-Induced Processes in Molecular Photocatalysts.

PubMed

Imanbaew, Dimitri; Lang, Johannes; Gelin, Maxim F; Kaufhold, Simon; Pfeffer, Michael G; Rau, Sven; Riehn, Christoph

2017-05-08

We present a proof of concept that ultrafast dynamics combined with photochemical stability information of molecular photocatalysts can be acquired by electrospray ionization mass spectrometry combined with time-resolved femtosecond laser spectroscopy in an ion trap. This pump-probe "fragmentation action spectroscopy" gives straightforward access to information that usually requires high purity compounds and great experimental efforts. Results of gas-phase studies on the electronic dynamics of two supramolecular photocatalysts compare well to previous findings in solution and give further evidence for a directed electron transfer, a key process for photocatalytic hydrogen generation. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Biaxially stretchable supercapacitors based on the buckled hybrid fiber electrode array

NASA Astrophysics Data System (ADS)

Zhang, Nan; Zhou, Weiya; Zhang, Qiang; Luan, Pingshan; Cai, Le; Yang, Feng; Zhang, Xiao; Fan, Qingxia; Zhou, Wenbin; Xiao, Zhuojian; Gu, Xiaogang; Chen, Huiliang; Li, Kewei; Xiao, Shiqi; Wang, Yanchun; Liu, Huaping; Xie, Sishen

2015-07-01

In order to meet the growing need for smart bionic devices and epidermal electronic systems, biaxial stretchability is essential for energy storage units. Based on porous single-walled carbon nanotube/poly(3,4-ethylenedioxythiophene) (SWCNT/PEDOT) hybrid fiber, we designed and fabricated a biaxially stretchable supercapacitor, which possesses a unique configuration of the parallel buckled hybrid fiber array. Owing to the reticulate SWCNT film and the improved fabrication technique, the hybrid fiber retained its porous architecture both outwardly and inwardly, manifesting a superior capacity of 215 F g-1. H3PO4-polyvinyl alcohol gel with an optimized component ratio was introduced as both binder and stretchable electrolyte, which contributed to the regularity and stability of the buckled fiber array. The buckled structure and the quasi one-dimensional character of the fibers endow the supercapacitor with 100% stretchability along all directions. In addition, the supercapacitor exhibited good transparency, as well as excellent electrochemical properties and stability after being stretched 5000 times.In order to meet the growing need for smart bionic devices and epidermal electronic systems, biaxial stretchability is essential for energy storage units. Based on porous single-walled carbon nanotube/poly(3,4-ethylenedioxythiophene) (SWCNT/PEDOT) hybrid fiber, we designed and fabricated a biaxially stretchable supercapacitor, which possesses a unique configuration of the parallel buckled hybrid fiber array. Owing to the reticulate SWCNT film and the improved fabrication technique, the hybrid fiber retained its porous architecture both outwardly and inwardly, manifesting a superior capacity of 215 F g-1. H3PO4-polyvinyl alcohol gel with an optimized component ratio was introduced as both binder and stretchable electrolyte, which contributed to the regularity and stability of the buckled fiber array. The buckled structure and the quasi one-dimensional character of the fibers endow the supercapacitor with 100% stretchability along all directions. In addition, the supercapacitor exhibited good transparency, as well as excellent electrochemical properties and stability after being stretched 5000 times. Electronic supplementary information (ESI) available: SEM images of the twist-first hybrid fiber, TEM images of SWCNT/PEDOT hybrid bundles, Raman spectra and FTIR spectra of the hybrid electrodes, CVs of the pristine, bended and wound supercapacitor, transmittance spectra of the pristine and stretched supercapacitor, demo video of the supercapacitor. See DOI: 10.1039/c5nr03027g

Slipping and tangential discontinuity instabilities in quasi-one-dimensional planar and cylindrical flows

NASA Astrophysics Data System (ADS)

Kuzelev, M. V.

2017-09-01

An analytical linear theory of instability of an electron beam with a nonuniform directional velocity (slipping instability) against perturbations with wavelengths exceeding the transverse beam size is offered. An analogy with hydrodynamic instabilities of tangential discontinuity of an incompressible liquid flow is drawn. The instability growth rates are calculated for particular cases and in a general form in planar and cylindrical geometries. The stabilizing effect of the external magnetic field is analyzed.

Improving the Thermodynamic Stability of Aluminate Spinel Nanoparticles with Rare Earths

DOE PAGES

Hasan, M. M.; Dey, Sanchita; Nafsin, Nazia; ...

2016-06-29

Surface energy is a key parameter to understand and predict the stability of catalysts. In this work, the surface energy of MgAl 2O 4, an important base material for catalyst support, was reduced by using dopants prone to form surface excess (surface segregation): Y 3+, Gd 3+, and La 3+. The energy reduction was predicted by atomistic simulations of spinel surfaces and experimentally demonstrated by using microcalorimetry. The surface energy of undoped MgAl 2O 4 was directly measured as 1.65 ± 0.04 J/m 2 and was reduced by adding 2 mol % of the dopants to 1.55 ± 0.04 J/mmore » 2 for Y-doping, 1.45 ± 0.05 J/m 2 for Gd-doping, and 1.26 ± 0.06 J/m 2 for La-doping. Atomistic simulations are qualitatively consistent with the experiments, reinforcing the link between the role of dopants in stabilizing the surface and the energy of segregation. Surface segregation was experimentally assessed using electron energy loss spectroscopy mapping in a scanning transmission electron microscopy image. Finally, the reduced energy resulted in coarsening inhibition for the doped samples and, hence, systematically smaller particle sizes (larger surface areas), meaning increased stability for catalytic applications. Moreover, both experiment and modeling reveal preferential dopant segregation to specific surfaces, which leads to the preponderance of {111} surface planes and suggests a strategy to enhance the area of desired surfaces in nanoparticles for better catalyst support activity.« less

Stability of hot electron plasma in the ELMO bumpy torus

NASA Astrophysics Data System (ADS)

Tsang, K. T.; Cheng, C. Z.

The stability of a hot electron plasma in the ELMO Bumpy Torus was investigated using two different models. In the first model, where the hot electron distribution function is assumed to be a delta function in the perpendicular velocity, a stability boundary in addition to those discussed by Nelson and by Van Dam and Lee is found. In the second model, where the hot electron distribution function is assumed to be a Maxwellian in the perpendicular velocity, stability boundaries significantly different from those of the first model are found. Coupling of the Nelson-Van Dam-Lee mode to the compressional Alfven mode is now possible. This leads to a higher permissible core plasma beta value for stable operation.

3D structure of individual nanocrystals in solution by electron microscopy

DOE PAGES

Park, Jungwok; Elmlund, Hans; Ercius, Peter; ...

2015-07-17

Here, knowledge about the synthesis, growth mechanisms, and physical properties of colloidal nanoparticles has been limited by technical impediments. We introduce a method for determining three-dimensional (3D) structures of individual nanoparticles in solution. We combine a graphene liquid cell, high-resolution transmission electron microscopy, a direct electron detector, and an algorithm for single-particle 3D reconstruction originally developed for analysis of biological molecules. This method yielded two 3D structures of individual platinum nanocrystals at near-atomic resolution. Because our method derives the 3D structure from images of individual nanoparticles rotating freely in solution, it enables the analysis of heterogeneous populations of potentially unorderedmore » nanoparticles that are synthesized in solution, thereby providing a means to understand the structure and stability of defects at the nanoscale.« less

Nanoparticle imaging. 3D structure of individual nanocrystals in solution by electron microscopy.

PubMed

Park, Jungwon; Elmlund, Hans; Ercius, Peter; Yuk, Jong Min; Limmer, David T; Chen, Qian; Kim, Kwanpyo; Han, Sang Hoon; Weitz, David A; Zettl, A; Alivisatos, A Paul

2015-07-17

Knowledge about the synthesis, growth mechanisms, and physical properties of colloidal nanoparticles has been limited by technical impediments. We introduce a method for determining three-dimensional (3D) structures of individual nanoparticles in solution. We combine a graphene liquid cell, high-resolution transmission electron microscopy, a direct electron detector, and an algorithm for single-particle 3D reconstruction originally developed for analysis of biological molecules. This method yielded two 3D structures of individual platinum nanocrystals at near-atomic resolution. Because our method derives the 3D structure from images of individual nanoparticles rotating freely in solution, it enables the analysis of heterogeneous populations of potentially unordered nanoparticles that are synthesized in solution, thereby providing a means to understand the structure and stability of defects at the nanoscale. Copyright © 2015, American Association for the Advancement of Science.

3D structure of individual nanocrystals in solution by electron microscopy

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

Park, Jungwok; Elmlund, Hans; Ercius, Peter

Here, knowledge about the synthesis, growth mechanisms, and physical properties of colloidal nanoparticles has been limited by technical impediments. We introduce a method for determining three-dimensional (3D) structures of individual nanoparticles in solution. We combine a graphene liquid cell, high-resolution transmission electron microscopy, a direct electron detector, and an algorithm for single-particle 3D reconstruction originally developed for analysis of biological molecules. This method yielded two 3D structures of individual platinum nanocrystals at near-atomic resolution. Because our method derives the 3D structure from images of individual nanoparticles rotating freely in solution, it enables the analysis of heterogeneous populations of potentially unorderedmore » nanoparticles that are synthesized in solution, thereby providing a means to understand the structure and stability of defects at the nanoscale.« less

Electrodeposition of thin yttria-stabilized zirconia layers using glow-discharge plasma

NASA Astrophysics Data System (ADS)

Ogumi, Zempachi; Uchimoto, Yoshiharu; Tsuji, Yoichiro; Takehara, Zen-ichiro

1992-08-01

A novel process for preparation of thin yttria-stabilized zirconia (YSZ) layers was developed. This process differs from other vapor-phase deposition methods in that a dc bias circuit, separate from the plasma-generation circuit, is used for the electrodeposition process. The YSZ layer was electrodeposited from ZrCl4 and YCl3 on a nonporous calcia-stabilized zirconia substrate. Scanning electron microscopy, electron probe microanalysis, electron spectroscopy for chemical analysis, and x-ray-diffraction measurements confirmed the electrodeposition of a smooth, pinhole-free yttria-stabilized zirconia film of about 3 μm thickness.

Theoretical study of radiative electron attachment to CN, C{sub 2}H, and C{sub 4}H radicals

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

Douguet, Nicolas; Fonseca dos Santos, S.; Orel, Ann E.

A first-principle theoretical approach to study the process of radiative electron attachment is developed and applied to the negative molecular ions CN{sup −}, C{sub 4}H{sup −}, and C{sub 2}H{sup −}. Among these anions, the first two have already been observed in the interstellar space. Cross sections and rate coefficients for formation of these ions by direct radiative electron attachment to the corresponding neutral radicals are calculated. For the CN molecule, we also considered the indirect pathway, in which the electron is initially captured through non-Born-Oppenheimer coupling into a vibrationally resonant excited state of the anion, which then stabilizes by radiativemore » decay. We have shown that the contribution of the indirect pathway to the formation of CN{sup −} is negligible in comparison to the direct mechanism. The obtained rate coefficients for the direct mechanism at 30 K are 7 × 10{sup −16} cm{sup 3}/s for CN{sup −}, 7 × 10{sup −17} cm{sup 3}/s for C{sub 2}H{sup −}, and 2 × 10{sup −16} cm{sup 3}/s for C{sub 4}H{sup −}. These rates weakly depend on temperature between 10 K and 100 K. The validity of our calculations is verified by comparing the present theoretical results with data from recent photodetachment experiments.« less

The effects of isolated and integrated 'core stability' training on athletic performance measures: a systematic review.

PubMed

Reed, Casey A; Ford, Kevin R; Myer, Gregory D; Hewett, Timothy E

2012-08-01

Core stability training, operationally defined as training focused to improve trunk and hip control, is an integral part of athletic development, yet little is known about its direct relation to athletic performance. This systematic review focuses on identification of the association between core stability and sports-related performance measures. A secondary objective was to identify difficulties encountered when trying to train core stability with the goal of improving athletic performance. A systematic search was employed to capture all articles related to athletic performance and core stability training that were identified using the electronic databases MEDLINE, CINAHL and SPORTDiscus™ (1982-June 2011). A systematic approach was used to evaluate 179 articles identified for initial review. Studies that performed an intervention targeted toward the core and measured an outcome related to athletic or sport performances were included, while studies with a participant population aged 65 years or older were excluded. Twenty-four in total met the inclusionary criteria for review. Studies were evaluated using the Physical Therapy Evidence Database (PEDro) scale. The 24 articles were separated into three groups, general performance (n = 8), lower extremity (n = 10) and upper extremity (n = 6), for ease of discussion. In the majority of studies, core stability training was utilized in conjunction with more comprehensive exercise programmes. As such, many studies saw improvements in skills of general strengths such as maximum squat load and vertical leap. Surprisingly, not all studies reported measurable increases in specific core strength and stability measures following training. Additionally, investigations that targeted the core as the primary goal for improved outcome of training had mixed results. Core stability is rarely the sole component of an athletic development programme, making it difficult to directly isolate its affect on athletic performance. The population biases of some studies of athletic performance also confound the results. Targeted core stability training provides marginal benefits to athletic performance. Conflicting findings and the lack of a standardization for measurement of outcomes and training focused to improve core strength and stability pose difficulties. Because of this, further research targeted to determine this relationship is necessary to better understand how core strength and stability affect athletic performance.

Scalable Sub-micron Patterning of Organic Materials Toward High Density Soft Electronics.

PubMed

Kim, Jaekyun; Kim, Myung-Gil; Kim, Jaehyun; Jo, Sangho; Kang, Jingu; Jo, Jeong-Wan; Lee, Woobin; Hwang, Chahwan; Moon, Juhyuk; Yang, Lin; Kim, Yun-Hi; Noh, Yong-Young; Jaung, Jae Yun; Kim, Yong-Hoon; Park, Sung Kyu

2015-09-28

The success of silicon based high density integrated circuits ignited explosive expansion of microelectronics. Although the inorganic semiconductors have shown superior carrier mobilities for conventional high speed switching devices, the emergence of unconventional applications, such as flexible electronics, highly sensitive photosensors, large area sensor array, and tailored optoelectronics, brought intensive research on next generation electronic materials. The rationally designed multifunctional soft electronic materials, organic and carbon-based semiconductors, are demonstrated with low-cost solution process, exceptional mechanical stability, and on-demand optoelectronic properties. Unfortunately, the industrial implementation of the soft electronic materials has been hindered due to lack of scalable fine-patterning methods. In this report, we demonstrated facile general route for high throughput sub-micron patterning of soft materials, using spatially selective deep-ultraviolet irradiation. For organic and carbon-based materials, the highly energetic photons (e.g. deep-ultraviolet rays) enable direct photo-conversion from conducting/semiconducting to insulating state through molecular dissociation and disordering with spatial resolution down to a sub-μm-scale. The successful demonstration of organic semiconductor circuitry promise our result proliferate industrial adoption of soft materials for next generation electronics.

Scalable Sub-micron Patterning of Organic Materials Toward High Density Soft Electronics

NASA Astrophysics Data System (ADS)

Kim, Jaekyun; Kim, Myung-Gil; Kim, Jaehyun; Jo, Sangho; Kang, Jingu; Jo, Jeong-Wan; Lee, Woobin; Hwang, Chahwan; Moon, Juhyuk; Yang, Lin; Kim, Yun-Hi; Noh, Yong-Young; Yun Jaung, Jae; Kim, Yong-Hoon; Kyu Park, Sung

2015-09-01

The success of silicon based high density integrated circuits ignited explosive expansion of microelectronics. Although the inorganic semiconductors have shown superior carrier mobilities for conventional high speed switching devices, the emergence of unconventional applications, such as flexible electronics, highly sensitive photosensors, large area sensor array, and tailored optoelectronics, brought intensive research on next generation electronic materials. The rationally designed multifunctional soft electronic materials, organic and carbon-based semiconductors, are demonstrated with low-cost solution process, exceptional mechanical stability, and on-demand optoelectronic properties. Unfortunately, the industrial implementation of the soft electronic materials has been hindered due to lack of scalable fine-patterning methods. In this report, we demonstrated facile general route for high throughput sub-micron patterning of soft materials, using spatially selective deep-ultraviolet irradiation. For organic and carbon-based materials, the highly energetic photons (e.g. deep-ultraviolet rays) enable direct photo-conversion from conducting/semiconducting to insulating state through molecular dissociation and disordering with spatial resolution down to a sub-μm-scale. The successful demonstration of organic semiconductor circuitry promise our result proliferate industrial adoption of soft materials for next generation electronics.

Bicarbonate requirement for the water-oxidizing complex of photosystem II.

PubMed

Klimov, V V; Baranov, S V

2001-01-05

It is well established that bicarbonate stimulates electron transfer between the primary and secondary electron acceptors, Q(A) and Q(B), in formate-inhibited photosystem II; the non-heme Fe between Q(A) and Q(B) plays an essential role in the bicarbonate binding. Strong evidence of a bicarbonate requirement for the water-oxidizing complex (WOC), both O2 evolving and assembling from apo-WOC and Mn2+, of photosystem II (PSII) preparations has been presented in a number of publications during the last 5 years. The following explanations for the involvement of bicarbonate in the events on the donor side of PSII are considered: (1) bicarbonate serves as an electron donor (alternative to water or as a way of involvement of water molecules in the oxidative reactions) to the Mn-containing O2 center; (2) bicarbonate facilitates reassembly of the WOC from apo-WOC and Mn2+ due to formation of the complexes MnHCO3+ and Mn(HCO3)2 leading to an easier oxidation of Mn2+ with PSII; (3) bicarbonate is an integral component of the WOC essential for its function and stability; it may be considered a direct ligand to the Mn cluster; (4) the WOC is stabilized by bicarbonate through its binding to other components of PSII.

Molecular dynamics simulations give insight into the conformational change, complex formation, and electron transfer pathway for cytochrome P450 reductase

PubMed Central

Sündermann, Axel; Oostenbrink, Chris

2013-01-01

Cytochrome P450 reductase (CYPOR) undergoes a large conformational change to allow for an electron transfer to a redox partner to take place. After an internal electron transfer over its cofactors, it opens up to facilitate the interaction and electron transfer with a cytochrome P450. The open conformation appears difficult to crystallize. Therefore, a model of a human CYPOR in the open conformation was constructed to be able to investigate the stability and conformational change of this protein by means of molecular dynamics simulations. Since the role of the protein is to provide electrons to a redox partner, the interactions with cytochrome P450 2D6 (2D6) were investigated and a possible complex structure is suggested. Additionally, electron pathway calculations with a newly written program were performed to investigate which amino acids relay the electrons from the FMN cofactor of CYPOR to the HEME of 2D6. Several possible interacting amino acids in the complex, as well as a possible electron transfer pathway were identified and open the way for further investigation by site directed mutagenesis studies. PMID:23832577

Kinetic stability analysis on electromagnetic filamentary structure

NASA Astrophysics Data System (ADS)

Lee, Wonjae; Krasheninnikov, Sergei

2014-10-01

A coherent radial transport of filamentary structures in SOL region is important for its characteristics that can increase unwanted high fluxes to plasma facing components. In the course of propagation in radial direction, the coherency of the filaments is significantly limited by electrostatic resistive drift instability (Angus et al., 2012). Considering higher plasma pressure, which would have more large impact in heat fluxes, electromagnetic effects will reduce the growth rate of the drift wave instability and increase the instabilities from electron inertial effects. According to a linear stability analysis on equations with fluid approximation, the maximum growth rate of the instability from the electron inertia is higher than that of drift-Alfvén wave instability in high beta filaments such as ELMs. However, the analysis on the high beta filaments requires kinetic approach, since the decreased collisionality will make the fluid approximation broken. Therefore, the kinetic analysis will be presented for the electromagnetic effects on the dynamics of filamentary structures. This work was supported by the USDOE Grants DE-FG02-04ER54739 and DE-SC0010413 at UCSD and also by the Kwanjeong Educational Foundation.

Hot-electron bolometer terahertz mixers for the Herschel Space Observatory.

PubMed

Cherednichenko, Sergey; Drakinskiy, Vladimir; Berg, Therese; Khosropanah, Pourya; Kollberg, Erik

2008-03-01

We report on low noise terahertz mixers (1.4-1.9 THz) developed for the heterodyne spectrometer onboard the Herschel Space Observatory. The mixers employ double slot antenna integrated superconducting hot-electron bolometers (HEBs) made of thin NbN films. The mixer performance was characterized in terms of detection sensitivity across the entire rf band by using a Fourier transform spectrometer (from 0.5 to 2.5 THz, with 30 GHz resolution) and also by measuring the mixer noise temperature at a limited number of discrete frequencies. The lowest mixer noise temperature recorded was 750 K [double sideband (DSB)] at 1.6 THz and 950 K DSB at 1.9 THz local oscillator (LO) frequencies. Averaged across the intermediate frequency band of 2.4-4.8 GHz, the mixer noise temperature was 1100 K DSB at 1.6 THz and 1450 K DSB at 1.9 THz LO frequencies. The HEB heterodyne receiver stability has been analyzed and compared to the HEB stability in the direct detection mode. The optimal local oscillator power was determined and found to be in a 200-500 nW range.

Creation of artificial skyrmions and antiskyrmions by anisotropy engineering

DOE PAGES

Zhang, S.; Petford-Long, A. K.; Phatak, C.

2016-08-10

Topological spin textures form a fundamental paradigm in solid state physics and present unique opportunities to explore exciting phenomena such as the quantum Hall effect. One such non-trivial spin texture is a skyrmion, in which the spins can be mapped to point in all directions wrapping around a sphere. Understanding the formation of these spin textures, and their topological and energetic stability, is crucial in order to control their behavior. In this work, we report on controlling the anisotropy of continuous Co/Pt multilayer films with ion irradiation to form unique domain configurations of artificial skyrmions and antiskyrmions. We elucidate theirmore » behavior using aberration-corrected Lorentz transmission electron microscopy. We also discuss the energetic stability of these structures studied through in-situ magnetizing experiments performed at room temperature, combined with micromagnetic simulations that successfully reproduce the spin textures and behavior. As a result, this research offers new opportunities towards creation of artificial skyrmion or antiskyrmion lattices that can be used to investigate not only fundamental properties of their interaction with electron currents but also technological applications such as artificial magnonic crystals.« less

Strain and stability of ultrathin Ge layers in Si/Ge/Si axial heterojunction nanowires

DOE PAGES

Ross, Frances M.; Stach, Eric A.; Wen, Cheng -Yen; ...

2015-02-05

The abrupt heterointerfaces in the Si/Ge materials system presents useful possibilities for electronic device engineering because the band structure can be affected by strain induced by the lattice mismatch. In planar layers, heterointerfaces with abrupt composition changes are difficult to realize without introducing misfit dislocations. However, in catalytically grown nanowires, abrupt heterointerfaces can be fabricated by appropriate choice of the catalyst. Here we grow nanowires containing Si/Ge and Si/Ge/Si structures respectively with sub-1nm thick Ge "quantum wells" and we measure the interfacial strain fields using geometric phase analysis. Narrow Ge layers show radial strains of several percent, with a correspondingmore » dilation in the axial direction. Si/Ge interfaces show lattice rotation and curvature of the lattice planes. We conclude that high strains can be achieved, compared to what is possible in planar layers. In addition, we study the stability of these heterostructures under heating and electron beam irradiation. The strain and composition gradients are supposed to the cause of the instability for interdiffusion.« less

Improved water resistance of SrAl2O4: Eu2+, Dy3+ phosphor directly achieved in a water-containing medium

NASA Astrophysics Data System (ADS)

Qi, Tonggang; Xia, Haofu; Zhang, Zhanhui; Kong, Shijin; Peng, Weikang; Zhao, Qi; Huang, Zhiliang

2017-03-01

In this paper, a heterogeneous precipitation method utilizing urea hydrolysis was adopted to coat a SiO2 layer on the surface of SrAl2O4:Eu2+, Dy3+ long persistence phosphors. To avoid phosphor hydrolysis in a water-containing coating medium, the hydrolysis and polymerization reactions of tetraethyl orthosilicate (TEOS) were concerned and carried out. The crystal phases, surface morphologies, hydrolysis stability and water resistance on afterglow properties of coated phosphors were investigated. Scanning electron microscopy, energy dispersive spectrum analysis, transmission electron microscope and Fourier transform infrared spectrum results confirmed that a continuous, uniform and compact SiO2 coating layer was successfully obtained on the phosphors surface. A theoretical coating amount of 5% or higher was found to be good for hydrolysis stability. Photoluminescence results revealed the coated phosphors showed much better water resistance on afterglow properties than the uncoated phosphor. We also discussed and proposed the hydrolysis restriction mechanism of SrAl2O4:Eu2+, Dy3+ in the water-containing coating medium.

Non-fullerene acceptors for organic solar cells

NASA Astrophysics Data System (ADS)

Yan, Cenqi; Barlow, Stephen; Wang, Zhaohui; Yan, He; Jen, Alex K.-Y.; Marder, Seth R.; Zhan, Xiaowei

2018-03-01

Non-fullerene acceptors (NFAs) are currently a major focus of research in the development of bulk-heterojunction organic solar cells (OSCs). In contrast to the widely used fullerene acceptors (FAs), the optical properties and electronic energy levels of NFAs can be readily tuned. NFA-based OSCs can also achieve greater thermal stability and photochemical stability, as well as longer device lifetimes, than their FA-based counterparts. Historically, the performance of NFA OSCs has lagged behind that of fullerene devices. However, recent developments have led to a rapid increase in power conversion efficiencies for NFA OSCs, with values now exceeding 13%, demonstrating the viability of using NFAs to replace FAs in next-generation high-performance OSCs. This Review discusses the important work that has led to this remarkable progress, focusing on the two most promising NFA classes to date: rylene diimide-based materials and materials based on fused aromatic cores with strong electron-accepting end groups. The key structure-property relationships, donor-acceptor matching criteria and aspects of device physics are discussed. Finally, we consider the remaining challenges and promising future directions for the NFA OSCs field.

Advanced microscopy of star-shaped gold nanoparticles and their adsorption-uptake by macrophages

PubMed Central

Plascencia-Villa, Germán; Bahena, Daniel; Rodríguez, Annette R.; Ponce, Arturo; José-Yacamán, Miguel

2013-01-01

Metallic nanoparticles have diverse applications in biomedicine, as diagnostics, image contrast agents, nanosensors and drug delivery systems. Anisotropic metallic nanoparticles possess potential applications in cell imaging and therapy+diagnostics (theranostics), but controlled synthesis and growth of these anisotropic or branched nanostructures has been challenging and usually require use of high concentrations of surfactants. Star-shaped gold nanoparticles were synthesized in high yield through a seed mediated route using HEPES as a precise shape-directing capping agent. Characterization was performed using advanced electron microscopy techniques including atomic resolution TEM, obtaining a detailed characterization of nanostructure and atomic arrangement. Spectroscopy techniques showed that particles have narrow size distribution, monodispersity and high colloidal stability, with absorbance into NIR region and high efficiency for SERS applications. Gold nanostars showed to be biocompatible and efficiently adsorbed and internalized by macrophages, as revealed by advanced FE-SEM and backscattered electron imaging techniques of complete unstained uncoated cells. Additionally, low voltage STEM and X-ray microanalysis revealed the ultra-structural location and confirmed stability of nanoparticles after endocytosis with high spatial resolution. PMID:23443314

Creation of artificial skyrmions and antiskyrmions by anisotropy engineering

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

Zhang, S.; Petford-Long, A. K.; Phatak, C.

Topological spin textures form a fundamental paradigm in solid state physics and present unique opportunities to explore exciting phenomena such as the quantum Hall effect. One such non-trivial spin texture is a skyrmion, in which the spins can be mapped to point in all directions wrapping around a sphere. Understanding the formation of these spin textures, and their topological and energetic stability, is crucial in order to control their behavior. In this work, we report on controlling the anisotropy of continuous Co/Pt multilayer films with ion irradiation to form unique domain configurations of artificial skyrmions and antiskyrmions. We elucidate theirmore » behavior using aberration-corrected Lorentz transmission electron microscopy. We also discuss the energetic stability of these structures studied through in-situ magnetizing experiments performed at room temperature, combined with micromagnetic simulations that successfully reproduce the spin textures and behavior. As a result, this research offers new opportunities towards creation of artificial skyrmion or antiskyrmion lattices that can be used to investigate not only fundamental properties of their interaction with electron currents but also technological applications such as artificial magnonic crystals.« less

Interaction of high-energy beams with magnetized plasma: feasibility study for laboratory experiments

NASA Astrophysics Data System (ADS)

Roytershteyn, V.; Delzanno, G. L.; Dorfman, S. E.; Cattell, C. A.; Van Compernolle, B.

2017-12-01

We discuss plans for an experiment that will investigate interaction of energetic electron beam with magnetized plasma. The planned experiment will be conducted on the Large Plasma Device (LAPD) at UCLA and will utilize a variable-energy (0.1-1) MeV electron beam. Such energetic beams have recently attracted renewed attention as a basis for a number of active experiments in space, largely due to possibility of overcoming limitations imposed by spacecraft charging in low-density (e.g. magnetospheric) plasma. In this talk, we will discuss theoretical and computation studies of the plasma modes excited by the beam and beam stability. Energetic beams radiate both whistler and high-frequency R-X mode via Cherenkov resonances, with the relative efficiency of coupling to R-X mode increasing with beam energy. The stability of a finite-size, modulated beam (as produced by the available beam sources) is investigated and relative significance of instabilities and direct radiation is discussed. Special attention will be paid to discussing how laboratory experiments relate to conditions in space.

Nano-indentation investigation on the mechanical stability of individual austenite in high-carbon steel

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

Qiao, Xun; Han, Lizhan; Zhang, Weimin

2015-12-15

Quenching (AQ) and cryogenic treatments (QC) were conducted on the high-carbon SAE 52100 steel to investigate the mechanical stability of individual retained austenite (RA) by nano-indentation. The cross-sections of indented RA region prepared by focused ion beam (FIB) were examined by using transmission electron microscopy (TEM). For the first time, it was directly observed that some parts of RA grain, closest to the indent, in AQ specimen had transformed into strain-induced martensite (SIM). However, not any pop-in or transformation was detected in the indented QC specimen. This clearly indicates that the mechanical stability of RA in QC seems significantly enhanced,more » which is mainly attributed to the cryogenic treatment resulting in a higher carbon enrichment of RA compared to that in AQ. Furthermore, a higher load of external stress may need to trigger its martensitic transformation in QC specimen. - Highlights: • Mechanical stability of retained austenite was studied by nano-indentation and TEM. • The strain-induced martensite transformation in RA was observed under applied load. • Cryogenic treatment enhances mechanical stability of RA due to carbon enrichment.« less

Practical To Tactical: Making the Case for a Shift in Ground Vehicle Robotics

DTIC Science & Technology

2012-05-10

with Driver Warning I C R M x x x V x UNCLASSIFIED 21 Electronic Brake System ( ELB ) w/ Electronic Stability Control (ESC) Electric Power Assist...System ( ELB ) w/ Electronic Stability Control (ESC) Electric Power Assist Steering Steering Position Sensor Steering Torque Sensor Transmission...Computer I C R M x x x V x x Wheel Speed Sensors ESC Accelerometer/Rate Gyro UNCLASSIFIED 23 Electronic Brake System ( ELB ) w/ Electronic

On the use of the double floating probe method to infer the difference between the electron and the heavy particles temperatures in an atmospheric pressure, vortex-stabilized nitrogen plasma jet

NASA Astrophysics Data System (ADS)

Prevosto, L.; Kelly, H.; Mancinelli, B. R.

2014-05-01

Sweeping double probe measurements in an atmospheric pressure direct current vortex-stabilized plasma jet are reported (plasma conditions: 100 A discharge current, N2 gas flow rate of 25 Nl/min, thoriated tungsten rod-type cathode, copper anode with 5 mm inner diameter). The interpretation of the double probe characteristic was based on a generalization of the standard double floating probe formulae for non-uniform plasmas coupled to a non-equilibrium plasma composition model. Perturbations caused by the current to the probe together with collisional and thermal processes inside the probe perturbed region were taken into account. Radial values of the average electron and heavy particle temperatures as well as the electron density were obtained. The calculation of the temperature values did not require any specific assumption about a temperature relationship between different particle species. An electron temperature of 10 900 ± 900 K, a heavy particle temperature of 9300 ± 900 K, and an electron density of about 3.5 × 1022 m-3 were found at the jet centre at 3.5 mm downstream from the torch exit. Large deviations from kinetic equilibrium were found toward the outer border of the plasma jet. These results showed good agreement with those previously reported by the authors by using a single probe technique. The calculations have shown that this method is particularly useful for studying spraying-type plasma torches operated at power levels of about 15 kW.

The surface topography of the choroid plexus. Environmental, low and high vacuum scanning electron microscopy.

PubMed

Mestres, Pedro; Pütz, Norbert; Garcia Gómez de Las Heras, Soledad; García Poblete, Eduardo; Morguet, Andrea; Laue, Michael

2011-05-01

Environmental scanning electron microscopy (ESEM) allows the examination of hydrated and dried specimens without a conductive metal coating which could be advantageous in the imaging of biological and medical objects. The aim of this study was to assess the performance and benefits of wet-mode and low vacuum ESEM in comparison to high vacuum scanning electron microscopy (SEM) using the choroid plexus of chicken embryos as a model, an organ of the brain involved in the formation of cerebrospinal fluid in vertebrates. Specimens were fixed with or without heavy metals and examined directly or after critical point drying with or without metal coating. For wet mode ESEM freshly excised specimens without any pre-treatment were also examined. Conventional high vacuum SEM revealed the characteristic morphology of the choroid plexus cells at a high resolution and served as reference. With low vacuum ESEM of dried but uncoated samples the structure appeared well preserved but charging was a problem. It could be reduced by a short beam dwell time and averaging of images or by using the backscattered electron detector instead of the gaseous secondary electron detector. However, resolution was lower than with conventional SEM. Wet mode imaging was only possible with tissue that had been stabilized by fixation. Not all surface details (e.g. microvilli) could be visualized and other structures, like the cilia, were deformed. In summary, ESEM is an additional option for the imaging of bio-medical samples but it is problematic with regard to resolution and sample stability during imaging. Copyright © 2011 Elsevier GmbH. All rights reserved.

On the use of the double floating probe method to infer the difference between the electron and the heavy particles temperatures in an atmospheric pressure, vortex-stabilized nitrogen plasma jet.

PubMed

Prevosto, L; Kelly, H; Mancinelli, B R

2014-05-01

Sweeping double probe measurements in an atmospheric pressure direct current vortex-stabilized plasma jet are reported (plasma conditions: 100 A discharge current, N2 gas flow rate of 25 Nl/min, thoriated tungsten rod-type cathode, copper anode with 5 mm inner diameter). The interpretation of the double probe characteristic was based on a generalization of the standard double floating probe formulae for non-uniform plasmas coupled to a non-equilibrium plasma composition model. Perturbations caused by the current to the probe together with collisional and thermal processes inside the probe perturbed region were taken into account. Radial values of the average electron and heavy particle temperatures as well as the electron density were obtained. The calculation of the temperature values did not require any specific assumption about a temperature relationship between different particle species. An electron temperature of 10,900 ± 900 K, a heavy particle temperature of 9300 ± 900 K, and an electron density of about 3.5 × 10(22) m(-3) were found at the jet centre at 3.5 mm downstream from the torch exit. Large deviations from kinetic equilibrium were found toward the outer border of the plasma jet. These results showed good agreement with those previously reported by the authors by using a single probe technique. The calculations have shown that this method is particularly useful for studying spraying-type plasma torches operated at power levels of about 15 kW.

Towards of Vanadium Pentoxide Nanotubes and Thiols using Gold Nanoparticles

NASA Astrophysics Data System (ADS)

Lavayen, V.; Gonzalez, G.; Cardenas, G.; Sotomayor Torres, C. M.

2005-09-01

The template-directed synthesis is a promising route to realise 1-D nanostructures, an example of which is the formation of vanadium pentoxide nanotubes. In this work we report the interchange of long alkyl amines with alkyl thiols, this reaction was followed using gold nanoparticles prepared by the Chemical Liquid Deposition (CLD) method. The diameter of the gold clusters was 9 Å with a stability of about 85 days. SEM, TEM, EDAX and electron diffraction was the techniques used for the characterization of the reactions.

SU-C-204-03: DFT Calculations of the Stability of DOTA-Based-Radiopharmaceuticals

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

Khabibullin, A.R.; Woods, L.M.; Karolak, A.

2016-06-15

Purpose: Application of the density function theory (DFT) to investigate the structural stability of complexes applied in cancer therapy consisting of the 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA) chelated to Ac225, Fr221, At217, Bi213, and Gd68 radio-nuclei. Methods: The possibility to deliver a toxic payload directly to tumor cells is a highly desirable aim in targeted alpha particle therapy. The estimation of bond stability between radioactive atoms and the DOTA chelating agent is the key element in understanding the foundations of this delivery process. Thus, we adapted the Vienna Ab-initio Simulation Package (VASP) with the projector-augmented wave method and a plane-wave basis setmore » in order to study the stability and electronic properties of DOTA ligand chelated to radioactive isotopes. In order to count for the relativistic effect of radioactive isotopes we included Spin-Orbit Coupling (SOC) in the DFT calculations. Five DOTA complex structures were represented as unit cells, each containing 58 atoms. The energy optimization was performed for all structures prior to calculations of electronic properties. Binding energies, electron localization functions as well as bond lengths between atoms were estimated. Results: Calculated binding energies for DOTA-radioactive atom systems were −17.792, −5.784, −8.872, −13.305, −18.467 eV for Ac, Fr, At, Bi and Gd complexes respectively. The displacements of isotopes in DOTA cages were estimated from the variations in bond lengths, which were within 2.32–3.75 angstroms. The detailed representation of chemical bonding in all complexes was obtained with the Electron Localization Function (ELF). Conclusion: DOTA-Gd, DOTA-Ac and DOTA-Bi were the most stable structures in the group. Inclusion of SOC had a significant role in the improvement of DFT calculation accuracy for heavy radioactive atoms. Our approach is found to be proper for the investigation of structures with DOTA-based-radiopharmaceuticals and will enhance our understanding of processes occurring at subatomic levels.« less

Structural and electronic properties for atomic clusters

NASA Astrophysics Data System (ADS)

Sun, Yan

We have studied the structural and electronic properties for different groups of atomic clusters by doing a global search on the potential energy surface using the Taboo Search in Descriptors Space (TSDS) method and calculating the energies with Kohn-Sham Density Functional Theory (KS-DFT). Our goal was to find the structural and electronic principles for predicting the structure and stability of clusters. For Ben (n = 3--20), we have found that the evolution of geometric and electronic properties with size reflects a change in the nature of the bonding from van der Waals to metallic and then bulk-like. The cluster sizes with extra stability agree well with the predictions of the jellium model. In the 4d series of transition metal (TM) clusters, as the d-type bonding becomes more important, the preferred geometric structure changes from icosahedral (Y, Zr), to distorted compact structures (Nb, Mo), and FCC or simple cubic crystal fragments (Tc, Ru, Rh) due to the localized nature of the d-type orbital. Analysis of relative isomer energies and their electronic density of states suggest that these clusters tend to follow a maximum hardness principle (MHP). For A4B12 clusters (A is divalent, B is monovalent), we found unusually large (on average 1.95 eV) HOMO-LUMO gap values. This shows the extra stability at an electronic closed shell (20 electrons) predicted by the jellium model. The importance of symmetry, closed electronic and ionic shells in stability is shown by the relative stability of homotops of Mg4Ag12 which also provides support for the hypothesis that clusters that satisfy more than one stability criterion ("double magic") should be particularly stable.

Cu-In Halide Perovskite Solar Absorbers.

PubMed

Zhao, Xin-Gang; Yang, Dongwen; Sun, Yuanhui; Li, Tianshu; Zhang, Lijun; Yu, Liping; Zunger, Alex

2017-05-17

The long-term chemical instability and the presence of toxic Pb in otherwise stellar solar absorber APbX 3 made of organic molecules on the A site and halogens for X have hindered their large-scale commercialization. Previously explored ways to achieve Pb-free halide perovskites involved replacing Pb 2+ with other similar M 2+ cations in ns 2 electron configuration, e.g., Sn 2+ or by Bi 3+ (plus Ag + ), but unfortunately this showed either poor stability (M = Sn) or weakly absorbing oversized indirect gaps (M = Bi), prompting concerns that perhaps stability and good optoelectronic properties might be contraindicated. Herein, we exploit the electronic structure underpinning of classic Cu[In,Ga]Se 2 (CIGS) chalcopyrite solar absorbers to design Pb-free halide perovskites by transmuting 2Pb to the pair [B IB + C III ] such as [Cu + Ga] or [Ag + In] and combinations thereof. The resulting group of double perovskites with formula A 2 BCX 6 (A = K, Rb, Cs; B = Cu, Ag; C = Ga, In; X = Cl, Br, I) benefits from the ionic, yet narrow-gap character of halide perovskites, and at the same time borrows the advantage of the strong Cu(d)/Se(p) → Ga/In(s/p) valence-to-conduction-band absorption spectra known from CIGS. This constitutes a new group of CuIn-based Halide Perovskite (CIHP). Our first-principles calculations guided by such design principles indicate that the CIHPs class has members with clear thermodynamic stability, showing direct band gaps, and manifesting a wide-range of tunable gap values (from zero to about 2.5 eV) and combination of light electron and heavy-light hole effective masses. Materials screening of candidate CIHPs then identifies the best-of-class Rb 2 [CuIn]Cl 6 , Rb 2 [AgIn]Br 6 , and Cs 2 [AgIn]Br 6 , having direct band gaps of 1.36, 1.46, and 1.50 eV, and theoretical spectroscopic limited maximal efficiency comparable to chalcopyrites and CH 3 NH 3 PbI 3 . Our finding offers a new routine for designing new-type Pb-free halide perovskite solar absorbers.

Carrier envelope offset frequency detection and stabilization of a diode-pumped mode-locked Ti:sapphire laser.

PubMed

Gürel, Kutan; Wittwer, Valentin J; Hakobyan, Sargis; Schilt, Stéphane; Südmeyer, Thomas

2017-03-15

We demonstrate the first diode-pumped Ti:sapphire laser frequency comb. It is pumped by two green laser diodes with a total pump power of 3 W. The Ti:sapphire laser generates 250 mW of average output power in 61-fs pulses at a repetition rate of 216 MHz. We generated an octave-spanning supercontinuum spectrum in a photonic-crystal fiber and detected the carrier envelope offset (CEO) frequency in a standard f-to-2f interferometer setup. We stabilized the CEO-frequency through direct current modulation of one of the green pump diodes with a feedback bandwidth of 55 kHz limited by the pump diode driver used in this experiment. We achieved a reduction of the CEO phase noise power spectral density by 140 dB at 1 Hz offset frequency. An advantage of diode pumping is the ability for high-bandwidth modulation of the pump power via direct current modulation. After this experiment, we studied the modulation capabilities and noise properties of green pump laser diodes with improved driver electronics. The current-to-output-power modulation transfer function shows a bandwidth larger than 1 MHz, which should be sufficient to fully exploit the modulation bandwidth of the Ti:sapphire gain for CEO stabilization in future experiments.

14 CFR 27.177 - Static directional stability.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Static directional stability. 27.177... directional stability. (a) The directional controls must operate in such a manner that the sense and direction... sideslip angle versus directional control position curve may have a negative slope within a small range of...

Enhanced doping effect on tuning structural phases of monolayer antimony

NASA Astrophysics Data System (ADS)

Wang, Jizhang; Yang, Teng; Zhang, Zhidong; Yang, Li

2018-05-01

Doping is capable to control the atomistic structure, electronic structure, and even to dynamically realize a semiconductor-metal transition in two-dimensional (2D) transition metal dichalcogenides (TMDs). However, the high critical doping density (˜1014 electron/cm2), compound nature, and relatively low carrier mobility of TMDs limits broader applications. Using first-principles calculations, we predict that, via a small transition potential, a substantially lower hole doping density (˜6 × 1012 hole/cm2) can switch the ground-state structure of monolayer antimony from the hexagonal β-phase, a 2D semiconductor with excellent transport performance and air stability but an indirect bandgap, to the orthorhombic α phase with a direct bandgap and potentially better carrier mobility. We further show that this structural engineering can be achieved by the established electrostatic doping, surface functional adsorption, or directly using graphene substrate. This gives hope to dynamically tuning and large-scale production of 2D single-element semiconductors that simultaneously exhibit remarkable transport and optical performance.

Stability of direct band gap under mechanical strains for monolayer MoS2, MoSe2, WS2 and WSe2

NASA Astrophysics Data System (ADS)

Deng, Shuo; Li, Lijie; Li, Min

2018-07-01

Single layer transition-metal dichalcogenides materials (MoS2, MoSe2, WS2 and WSe2) are investigated using the first-principles method with the emphasis on their responses to mechanical strains. All these materials display the direct band gap under a certain range of strains from compressive to tensile (stable range). We have found that this stable range is different for these materials. Through studying on their mechanical properties again using the first-principles approach, it is unveiled that this stable strain range is determined by the Young's modulus. More analysis on strains induced electronic band gap properties have also been conducted.

Evaluation of stabilization techniques for ion implant processing

NASA Astrophysics Data System (ADS)

Ross, Matthew F.; Wong, Selmer S.; Minter, Jason P.; Marlowe, Trey; Narcy, Mark E.; Livesay, William R.

1999-06-01

With the integration of high current ion implant processing into volume CMOS manufacturing, the need for photoresist stabilization to achieve a stable ion implant process is critical. This study compares electron beam stabilization, a non-thermal process, with more traditional thermal stabilization techniques such as hot plate baking and vacuum oven processing. The electron beam processing is carried out in a flood exposure system with no active heating of the wafer. These stabilization techniques are applied to typical ion implant processes that might be found in a CMOS production process flow. The stabilization processes are applied to a 1.1 micrometers thick PFI-38A i-line photoresist film prior to ion implant processing. Post stabilization CD variation is detailed with respect to wall slope and feature integrity. SEM photographs detail the effects of the stabilization technique on photoresist features. The thermal stability of the photoresist is shown for different levels of stabilization and post stabilization thermal cycling. Thermal flow stability of the photoresist is detailed via SEM photographs. A significant improvement in thermal stability is achieved with the electron beam process, such that photoresist features are stable to temperatures in excess of 200 degrees C. Ion implant processing parameters are evaluated and compared for the different stabilization methods. Ion implant system end-station chamber pressure is detailed as a function of ion implant process and stabilization condition. The ion implant process conditions are detailed for varying factors such as ion current, energy, and total dose. A reduction in the ion implant systems end-station chamber pressure is achieved with the electron beam stabilization process over the other techniques considered. This reduction in end-station chamber pressure is shown to provide a reduction in total process time for a given ion implant dose. Improvements in the ion implant process are detailed across several combinations of current and energy.

New-class of Semiconducting 2D materials: Tin Dichalcogenides (SnX2)

NASA Astrophysics Data System (ADS)

Ataca, Can; Wu, Kedi; Saritas, Kayahan; Tongay, Sefaattin; Grossman, Jeffrey C.

2015-03-01

Recent studies have focused on a new generation of atomically thin films of semiconducting materials. A broad family of two-dimensional (2D) semiconducting transition metal dichalcogenides (MX2) have been fabricated and investigated in monolayer, bilayer and few layer form. In this work, we investigated the electronic, optical and elastic properties of single and few layer and bulk SnX2 (X = S, Se) both theoretically and experimentally. Using density functional theory (DFT) we carried out stability analysis through phonon and electronic, optical and elastic structure calculations. Single-few layer SnX2s are mechanically exfoliated and Raman and photoluminescence (PL) measurements are taken. UV-Vis absorption spectrum together with PL measurements and DFT calculations yield an indirect gap of ~ 2.5 eV for SnS2 structures (bulk). Tunability of the energy band gap and indirect-direct gap transitions are investigated by controlling the number of layers and applied stress. Lowering the number of layers decreases the indirect gap (0.1-0.3 eV), but indirect-direct gap transition occurs when layer-layer distance is reduced. Due to flexibility in engineering the electronic and optical properties, SnX2 compounds are promising materials for future optoelectronic nanoscale applications.

Pseudo-Jahn-Teller Distortion in Two-Dimensional Phosphorus: Origin of Black and Blue Phases of Phosphorene and Band Gap Modulation by Molecular Charge Transfer.

PubMed

Chowdhury, Chandra; Jahiruddin, Sheik; Datta, Ayan

2016-04-07

Phosphorene (Pn) is stabilized as a layered material like graphite, yet it possess a natural direct band gap (Eg = 2.0 eV). Interestingly, unlike graphene, Pn exhibits a much richer phase diagram which includes distorted forms like the stapler-clip (black Pn, α form) and chairlike (blue Pn, β form) structures. The existence of these phases is attributed to pseudo-Jahn-Teller (PJT) instability of planar hexagonal P6(6-) rings. In both cases, the condition for vibronic instability of the planar P6(6-) rings is satisfied. Doping with electron donors like tetrathiafulvalene and tetraamino-tetrathiafulvalene and electron acceptors like tetracyanoquinodimethane and tetracyanoethylene convert blue Pn into N-type and black Pn into efficient P-type semiconductors, respectively. Interestingly, pristine blue Pn, an indirect gap semiconductor, gets converted into a direct gap semiconductor on electron or hole doping. Because of comparatively smaller undulation in blue Pn (with respect to black Pn), the van der Waals interactions between the dopants and blue Pn is stronger. PJT distortions for two-dimensional phosphorus provides a unified understanding of structural features and chemical reactivity in its different phases.

A knittable fiber-shaped supercapacitor based on natural cotton thread for wearable electronics

NASA Astrophysics Data System (ADS)

Zhou, Qianlong; Jia, Chunyang; Ye, Xingke; Tang, Zhonghua; Wan, Zhongquan

2016-09-01

At present, the topic of building high-performance, miniaturized and mechanically flexible energy storage modules which can be directly integrated into textile based wearable electronics is a hotspot in the wearable technology field. In this paper, we reported a highly flexible fiber-shaped electrode fabricated through a one-step convenient hydrothermal process. The prepared graphene hydrogels/multi-walled carbon nanotubes-cotton thread derived from natural cotton thread is electrochemically active and mechanically strong. Fiber-shaped supercapacitor based on the prepared fiber electrodes and polyvinyl alcohol-H3PO4 gel electrolyte exhibits good capacitive performance (97.73 μF cm-1 at scan rate of 2 mV s-1), long cycle life (95.51% capacitance retention after 8000 charge-discharge cycles) and considerable stability (90.75% capacitance retention after 500 continuous bending cycles). Due to its good mechanical and electrochemical properties, the graphene hydrogels/multi-walled carbon nanotubes-cotton thread based all-solid fiber-shaped supercapacitor can be directly knitted into fabrics and maintain its original capacitive performance. Such a low-cost textile thread based versatile energy storage device may hold great potential for future wearable electronics applications.

Atomic resolution of Lithium Ions in LiCoO

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

Shao-Horn, Yang; Croguennec, Laurence; Delmas, Claude

2003-03-18

LiCoO2 is the most common lithium storage material for lithium rechargeable batteries, used widely to power portable electronic devices such as laptop computers. Lithium arrangements in the CoO2 framework have a profound effect on the structural stability and electrochemical properties of LixCoO2 (0 < x < 1), however, probing lithium ions has been difficult using traditional X-ray and neutron diffraction techniques. Here we have succeeded in simultaneously resolving columns of cobalt, oxygen, and lithium atoms in layered LiCoO2 battery material using experimental focal series of LiCoO2 images obtained at sub-Angstrom resolution in a mid-voltage transmission electron microscope. Lithium atoms aremore » the smallest and lightest metal atoms, and scatter electrons only very weakly. We believe our observations of lithium to be the first by electron microscopy, and that they show promise to direct visualization of the ordering of lithium and vacancy in LixCoO2.« less

Physics of Ultrathin Films and Heterostructures of Rare-Earth Nickelates

DOE PAGES

Middey, Srimanta; Chakhalian, J.; Mahadevan, P.; ...

2016-04-06

The electronic structure of transition metal oxides featuring correlated electrons can be rationalized within the Zaanen-Sawatzky-Allen framework. Following a brief description of the present paradigms of electronic behavior, we focus on the physics of rare-earth nickelates as an archetype of complexity emerging within the charge transfer regime. The intriguing prospect of realizing the physics of high- Tc cuprates through heterostructuring resulted in a massive endeavor to epitaxially stabilize these materials in ultrathin form. A plethora of new phenomena unfolded in such artificial structures due to the effect of epitaxial strain, quantum confinement, and interfacial charge transfer. Here we review themore » present status of artificial rare-earth nickelates in an effort to uncover the interconnection between the electronic and magnetic behavior and the underlying crystal structure. Here, we conclude by discussing future directions to disentangle the puzzle regarding the origin of the metal-insulator transition, the role of oxygen holes, and the true nature of the antiferromagnetic spin configuration in the ultrathin limit.« less

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

Middey, Srimanta; Chakhalian, J.; Mahadevan, P.

The electronic structure of transition metal oxides featuring correlated electrons can be rationalized within the Zaanen-Sawatzky-Allen framework. Following a brief description of the present paradigms of electronic behavior, we focus on the physics of rare-earth nickelates as an archetype of complexity emerging within the charge transfer regime. The intriguing prospect of realizing the physics of high- Tc cuprates through heterostructuring resulted in a massive endeavor to epitaxially stabilize these materials in ultrathin form. A plethora of new phenomena unfolded in such artificial structures due to the effect of epitaxial strain, quantum confinement, and interfacial charge transfer. Here we review themore » present status of artificial rare-earth nickelates in an effort to uncover the interconnection between the electronic and magnetic behavior and the underlying crystal structure. Here, we conclude by discussing future directions to disentangle the puzzle regarding the origin of the metal-insulator transition, the role of oxygen holes, and the true nature of the antiferromagnetic spin configuration in the ultrathin limit.« less

Water Splitting via Decoupled Photocatalytic Water Oxidation and Electrochemical Proton Reduction Mediated by Electron-Coupled-Proton Buffer.

PubMed

Li, Fei; Yu, Fengshou; Du, Jian; Wang, Yong; Zhu, Yong; Li, Xiaona; Sun, Licheng

2017-10-18

Water splitting mediated by electron-coupled-proton buffer (ECPB) provides an efficient way to avoid gas mixing by separating oxygen evolution from hydrogen evolution in space and time. Though electrochemical and photoelectrochemcial water oxidation have been incorporated in such a two-step water splitting system, alternative ways to reduce the cost and energy input for decoupling two half-reactions are desired. Herein, we show the feasibility of photocatalytic oxygen evolution in a powder system with BiVO 4 as a photocatalyst and polyoxometalate H 3 PMo 12 O 40 as an electron and proton acceptor. The resulting reaction mixture was allowed to be directly used for the subsequent hydrogen evolution with the reduced H 3 PMo 12 O 40 as electron and proton donors. Our system exhibits excellent stability in repeated oxygen and hydrogen evolution, which brings considerable convenience to decoupled water splitting. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Solvation effect on isomer stability and electronic structures of protonated serotonin

NASA Astrophysics Data System (ADS)

Omidyan, Reza; Amanollahi, Zohreh; Azimi, Gholamhassan

2017-07-01

Microsolvation effect on geometry and transition energies of protonated serotonin has been investigated by MP2 and CC2 quantum chemical methods. Also, conductor-like screening model, implemented recently in the MP2 and ADC(2) methods, was examined to address the bulk water environment's effect on the isomer stability and electronic transition energies of protonated serotonin. It has been predicted that the dipole moment of gas phase isomers plays the main role on the isomer stabilization in water solution and electronic transition shifts. Also, both red- and blue-shift effects have been predicted to take place on electronic transition energies, upon hydration.

Mesh electronics: a new paradigm for tissue-like brain probes.

PubMed

Hong, Guosong; Yang, Xiao; Zhou, Tao; Lieber, Charles M

2018-06-01

Existing implantable neurotechnologies for understanding the brain and treating neurological diseases have intrinsic properties that have limited their capability to achieve chronically-stable brain interfaces with single-neuron spatiotemporal resolution. These limitations reflect what has been dichotomy between the structure and mechanical properties of living brain tissue and non-living neural probes. To bridge the gap between neural and electronic networks, we have introduced the new concept of mesh electronics probes designed with structural and mechanical properties such that the implant begins to 'look and behave' like neural tissue. Syringe-implanted mesh electronics have led to the realization of probes that are neuro-attractive and free of the chronic immune response, as well as capable of stable long-term mapping and modulation of brain activity at the single-neuron level. This review provides a historical overview of a 10-year development of mesh electronics by highlighting the tissue-like design, syringe-assisted delivery, seamless neural tissue integration, and single-neuron level chronic recording stability of mesh electronics. We also offer insights on unique near-term opportunities and future directions for neuroscience and neurology that now are available or expected for mesh electronics neurotechnologies. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

An electrochemical aptasensor for thrombin detection based on direct electrochemistry of glucose oxidase using a functionalized graphene hybrid for amplification.

PubMed

Bai, Lijuan; Yan, Bin; Chai, Yaqin; Yuan, Ruo; Yuan, Yali; Xie, Shunbi; Jiang, Liping; He, Ying

2013-11-07

In this work, we reported a new label-free electrochemical aptasensor for highly sensitive detection of thrombin using direct electron transfer of glucose oxidase (GOD) as a redox probe and a gold nanoparticle-polyaniline-graphene (Au-PANI-Gra) hybrid for amplification. The Au-PANI-Gra hybrid with large surface area provided a biocompatible sensing platform for the immobilization of GOD. GOD was encapsulated into the three-dimensional netlike (3-mercaptopropyl)trimethoxysilane (MPTS) to form the MPTS-GOD biocomposite, which not only retained the native functions and properties, but also exhibited tunable porosity, high thermal stability, and chemical inertness. With abundant thiol tail groups on MPTS, MPTS-GOD was able to chemisorb onto the surface of the Au-PANI-Gra modified electrode through the strong affinity of the Au-S bond. The electrochemical signal originated from GOD, avoiding the addition or labeling of other redox mediators. After immobilizing the thiolated thrombin binding aptamer through gold nanoparticles (AuNPs), GOD as a blocking reagent was employed to block the remaining active sites of the AuNPs and avoid the nonspecific adsorption. The proposed method avoided the labeling process of redox probes and increased the amount of electroactive GOD. The concentration of thrombin was monitored based on the decrease of current response through cyclic voltammetry (CV) in 0.1 M PBS (pH 7.4). With the excellent direct electron transfer of double layer GOD membranes, the resulting aptasensor exhibited high sensitivity for detection of thrombin with a wide linear range from 1.0 × 10(-12) to 3.0 × 10(-8) M. The proposed aptasensor also showed good stability, satisfactory reproducibility and high specificity, which provided a promising strategy for electrochemical aptamer-based detection of other biomolecules.

Study of quantum confinement effects in ZnO nanostructures

NASA Astrophysics Data System (ADS)

Movlarooy, Tayebeh

2018-03-01

Motivation to fact that zinc oxide nanowires and nanotubes with successful synthesis and the mechanism of formation, stability and electronic properties have been investigated; in this study the structural, electronic properties and quantum confinement effects of zinc oxide nanotubes and nanowires with different diameters are discussed. The calculations within density functional theory and the pseudo potential approximation are done. The electronic structure and energy gap for Armchair and zigzag ZnO nanotubes with a diameter of about 4 to 55 Angstrom and ZnO nanowires with a diameter range of 4 to 23 Å is calculated. The results revealed that due to the quantum confinement effects, by reducing the diameter of nanowires and nanotubes, the energy gap increases. Zinc oxide semiconductor nanostructures since having direct band gap with size-dependent and quantum confinement effect are recommended as an appropriate candidate for making nanoscale optoelectronic devices.

Development of an electronic nose for environmental odour monitoring.

PubMed

Dentoni, Licinia; Capelli, Laura; Sironi, Selena; Del Rosso, Renato; Zanetti, Sonia; Della Torre, Matteo

2012-10-25

Exhaustive odour impact assessment should involve the evaluation of the impact of odours directly on citizens. For this purpose it might be useful to have an instrument capable of continuously monitoring ambient air quality, detecting the presence of odours and also recognizing their provenance. This paper discusses the laboratory and field tests conducted in order to evaluate the performance of a new electronic nose, specifically developed for monitoring environmental odours. The laboratory tests proved the instrument was able to discriminate between the different pure substances being tested, and to estimate the odour concentrations giving correlation indexes (R2) of 0.99 and errors below 15%. Finally, the experimental monitoring tests conducted in the field, allowed us to verify the effectiveness of this electronic nose for the continuous detection of odours in ambient air, proving its stability to variable atmospheric conditions and its capability to detect odour peaks.

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.

Pedestal evolution physics in low triangularity JET tokamak discharges with ITER-like wall

NASA Astrophysics Data System (ADS)

Bowman, C.; Dickinson, D.; Horvath, L.; Lunniss, A. E.; Wilson, H. R.; Cziegler, I.; Frassinetti, L.; Gibson, K.; Kirk, A.; Lipschultz, B.; Maggi, C. F.; Roach, C. M.; Saarelma, S.; Snyder, P. B.; Thornton, A.; Wynn, A.; Contributors, JET

2018-01-01

The pressure gradient of the high confinement pedestal region at the edge of tokamak plasmas rapidly collapses during plasma eruptions called edge localised modes (ELMs), and then re-builds over a longer time scale before the next ELM. The physics that controls the evolution of the JET pedestal between ELMs is analysed for 1.4 MA, 1.7 T, low triangularity, δ  =  0.2, discharges with the ITER-like wall, finding that the pressure gradient typically tracks the ideal magneto-hydrodynamic ballooning limit, consistent with a role for the kinetic ballooning mode. Furthermore, the pedestal width is often influenced by the region of plasma that has second stability access to the ballooning mode, which can explain its sometimes complex evolution between ELMs. A local gyrokinetic analysis of a second stable flux surface reveals stability to kinetic ballooning modes; global effects are expected to provide a destabilising mechanism and need to be retained in such second stable situations. As well as an electron-scale electron temperature gradient mode, ion scale instabilities associated with this flux surface include an electro-magnetic trapped electron branch and two electrostatic branches propagating in the ion direction, one with high radial wavenumber. In these second stability situations, the ELM is triggered by a peeling-ballooning mode; otherwise the pedestal is somewhat below the peeling-ballooning mode marginal stability boundary at ELM onset. In this latter situation, there is evidence that higher frequency ELMs are paced by an oscillation in the plasma, causing a crash in the pedestal before the peeling-ballooning boundary is reached. A model is proposed in which the oscillation is associated with hot plasma filaments that are pushed out towards the plasma edge by a ballooning mode, draining their free energy into the cooler plasma there, and then relaxing back to repeat the process. The results suggest that avoiding the oscillation and maximising the region of plasma that has second stability access will lead to the highest pedestal heights and, therefore, best confinement—a key result for optimising the fusion performance of JET and future tokamaks, such as ITER.

Electron-driven and thermal chemistry during water-assisted purification of platinum nanomaterials generated by electron beam induced deposition

PubMed Central

Warneke, Jonas; Kopyra, Janina

2018-01-01

Focused electron beam induced deposition (FEBID) is a versatile tool for the direct-write fabrication of nanostructures on surfaces. However, FEBID nanostructures are usually highly contaminated by carbon originating from the precursor used in the process. Recently, it was shown that platinum nanostructures produced by FEBID can be efficiently purified by electron irradiation in the presence of water. If such processes can be transferred to FEBID deposits produced from other carbon-containing precursors, a new general approach to the generation of pure metallic nanostructures could be implemented. Therefore this study aims to understand the chemical reactions that are fundamental to the water-assisted purification of platinum FEBID deposits generated from trimethyl(methylcyclopentadienyl)platinum(IV) (MeCpPtMe3). The experiments performed under ultrahigh vacuum conditions apply a combination of different desorption experiments coupled with mass spectrometry to analyse reaction products. Electron-stimulated desorption monitors species that leave the surface during electron exposure while post-irradiation thermal desorption spectrometry reveals products that evolve during subsequent thermal treatment. In addition, desorption of volatile products was also observed when a deposit produced by electron exposure was subsequently brought into contact with water. The results distinguish between contributions of thermal chemistry, direct chemistry between water and the deposit, and electron-induced reactions that all contribute to the purification process. We discuss reaction kinetics for the main volatile products CO and CH4 to obtain mechanistic information. The results provide novel insights into the chemistry that occurs during purification of FEBID nanostructures with implications also for the stability of the carbonaceous matrix of nanogranular FEBID materials under humid conditions. PMID:29441253

Effect of parallel electric fields on the ponderomotive stabilization of MHD instabilities

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

Litwin, C.; Hershkowitz, N.

The contribution of the wave electric field component E/sub parallel/, parallel to the magnetic field, to the ponderomotive stabilization of curvature driven instabilities is evaluated and compared to the transverse component contribution. For the experimental density range, in which the stability is primarily determined by the m = 1 magnetosonic wave, this contribution is found to be the dominant and stabilizing when the electron temperature is neglected. For sufficiently high electron temperatures the dominant fast wave is found to be axially evanescent. In the same limit, E/sub parallel/ becomes radially oscillating. It is concluded that the increased electron temperature nearmore » the plasma surface reduces the magnitude of ponderomotive effects.« less

Nascent energy distribution of the Criegee intermediate CH2OO from direct dynamics calculations of primary ozonide dissociation.

PubMed

Pfeifle, Mark; Ma, Yong-Tao; Jasper, Ahren W; Harding, Lawrence B; Hase, William L; Klippenstein, Stephen J

2018-05-07

Ozonolysis produces chemically activated carbonyl oxides (Criegee intermediates, CIs) that are either stabilized or decompose directly. This branching has an important impact on atmospheric chemistry. Prior theoretical studies have employed statistical models for energy partitioning to the CI arising from dissociation of the initially formed primary ozonide (POZ). Here, we used direct dynamics simulations to explore this partitioning for decomposition of c-C 2 H 4 O 3 , the POZ in ethylene ozonolysis. A priori estimates for the overall stabilization probability were then obtained by coupling the direct dynamics results with master equation simulations. Trajectories were initiated at the concerted cycloreversion transition state, as well as the second transition state of a stepwise dissociation pathway, both leading to a CI (H 2 COO) and formaldehyde (H 2 CO). The resulting CI energy distributions were incorporated in master equation simulations of CI decomposition to obtain channel-specific stabilized CI (sCI) yields. Master equation simulations of POZ formation and decomposition, based on new high-level electronic structure calculations, were used to predict yields for the different POZ decomposition channels. A non-negligible contribution of stepwise POZ dissociation was found, and new mechanistic aspects of this pathway were elucidated. By combining the trajectory-based channel-specific sCI yields with the channel branching fractions, an overall sCI yield of (48 ± 5)% was obtained. Non-statistical energy release was shown to measurably affect sCI formation, with statistical models predicting significantly lower overall sCI yields (∼30%). Within the range of experimental literature values (35%-54%), our trajectory-based calculations favor those clustered at the upper end of the spectrum.

Nascent energy distribution of the Criegee intermediate CH2OO from direct dynamics calculations of primary ozonide dissociation

NASA Astrophysics Data System (ADS)

Pfeifle, Mark; Ma, Yong-Tao; Jasper, Ahren W.; Harding, Lawrence B.; Hase, William L.; Klippenstein, Stephen J.

2018-05-01

Ozonolysis produces chemically activated carbonyl oxides (Criegee intermediates, CIs) that are either stabilized or decompose directly. This branching has an important impact on atmospheric chemistry. Prior theoretical studies have employed statistical models for energy partitioning to the CI arising from dissociation of the initially formed primary ozonide (POZ). Here, we used direct dynamics simulations to explore this partitioning for decomposition of c-C2H4O3, the POZ in ethylene ozonolysis. A priori estimates for the overall stabilization probability were then obtained by coupling the direct dynamics results with master equation simulations. Trajectories were initiated at the concerted cycloreversion transition state, as well as the second transition state of a stepwise dissociation pathway, both leading to a CI (H2COO) and formaldehyde (H2CO). The resulting CI energy distributions were incorporated in master equation simulations of CI decomposition to obtain channel-specific stabilized CI (sCI) yields. Master equation simulations of POZ formation and decomposition, based on new high-level electronic structure calculations, were used to predict yields for the different POZ decomposition channels. A non-negligible contribution of stepwise POZ dissociation was found, and new mechanistic aspects of this pathway were elucidated. By combining the trajectory-based channel-specific sCI yields with the channel branching fractions, an overall sCI yield of (48 ± 5)% was obtained. Non-statistical energy release was shown to measurably affect sCI formation, with statistical models predicting significantly lower overall sCI yields (˜30%). Within the range of experimental literature values (35%-54%), our trajectory-based calculations favor those clustered at the upper end of the spectrum.

Thylakoid-Deposited Micro-Pillar Electrodes for Enhanced Direct Extraction of Photosynthetic Electrons

PubMed Central

Ryu, DongHyun; Kim, Yong Jae; Kim, Seon Il; Hong, Hyeonaug; Ahn, Hyun S.

2018-01-01

Photosynthesis converts solar energy to electricity in a highly efficient manner. Since only water is needed as fuel for energy conversion, this highly efficient energy conversion process has been rigorously investigated. In particular, photosynthetic apparatus, such as photosystem II (PSII), photosystem I (PSI), or thylakoids, have been isolated from various plants to construct bio-hybrid anodes. Although PSII or PSI decorated anodes have shown potentials, there still remain challenges, such as poor stability of PSII-based systems or need for electron donors other than water molecules of PSI-based systems. Thylakoid membranes are relatively stable after isolation and they contain all the necessary photosynthetic apparatus including the PSII and PSI. To increase electrical connections between thylakoids and anodes, nanomaterials such as carbon nanotubes, nanowires, nanoparticles, or graphene have been employed. However, since they rely on the secondary electrical connections between thylakoids and anodes; it is desired to achieve larger direct contacts between them. Here, we aimed to develop micro-pillar (MP) array anodes to maximize direct contact with thylakoids. The thylakoid morphology was analyzed and the MP array was designed to maximize direct contact with thylakoids. The performance of MP anodes and a photosynthetic fuel cell based on MP electrodes was demonstrated and analyzed. PMID:29587387

Bilayered graphene/h-BN with folded holes as new nanoelectronic materials: modeling of structures and electronic properties

PubMed Central

Chernozatonskii, Leonid A.; Demin, Viсtor A.; Bellucci, Stefano

2016-01-01

The latest achievements in 2-dimensional (2D) material research have shown the perspective use of sandwich structures in nanodevices. We demonstrate the following generation of bilayer materials for electronics and optoelectronics. The atomic structures, the stability and electronic properties of Moiré graphene (G)/h-BN bilayers with folded nanoholes have been investigated theoretically by ab-initio DFT method. These perforated bilayers with folded hole edges may present electronic properties different from the properties of both graphene and monolayer nanomesh structures. The closing of the edges is realized by C-B(N) bonds that form after folding the borders of the holes. Stable ≪round≫ and ≪triangle≫ holes organization are studied and compared with similar hole forms in single layer graphene. The electronic band structures of the considered G/BN nanomeshes reveal semiconducting or metallic characteristics depending on the sizes and edge terminations of the created holes. This investigation of the new types of G/BN nanostructures with folded edges might provide a directional guide for the future of this emerging area. PMID:27897237

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

Kim, Jaekyun; Kim, Myung -Gil; Kim, Jaehyun

The success of silicon based high density integrated circuits ignited explosive expansion of microelectronics. Although the inorganic semiconductors have shown superior carrier mobilities for conventional high speed switching devices, the emergence of unconventional applications, such as flexible electronics, highly sensitive photosensors, large area sensor array, and tailored optoelectronics, brought intensive research on next generation electronic materials. The rationally designed multifunctional soft electronic materials, organic and carbon-based semiconductors, are demonstrated with low-cost solution process, exceptional mechanical stability, and on-demand optoelectronic properties. Unfortunately, the industrial implementation of the soft electronic materials has been hindered due to lack of scalable fine-patterning methods. Inmore » this report, we demonstrated facile general route for high throughput sub-micron patterning of soft materials, using spatially selective deep-ultraviolet irradiation. For organic and carbon-based materials, the highly energetic photons (e.g. deep-ultraviolet rays) enable direct photo-conversion from conducting/semiconducting to insulating state through molecular dissociation and disordering with spatial resolution down to a sub-μm-scale. As a result, the successful demonstration of organic semiconductor circuitry promise our result proliferate industrial adoption of soft materials for next generation electronics.« less

L-Cysteine capped CdTe-CdS core-shell quantum dots: preparation, characterization and immuno-labeling of HeLa cells.

PubMed

Zhang, Hongyan; Sun, Pan; Liu, Chang; Gao, Huanyu; Xu, Linru; Fang, Jin; Wang, Meng; Liu, Jinling; Xu, Shukun

2011-01-01

Functionalized CdTe-CdS core-shell quantum dots (QDs) were synthesized in aqueous solution via water-bathing combined hydrothermal method using L-cysteine (L-Cys) as a stabilizer. This method possesses both the advantages of water-bathing and hydrothermal methods for preparing high-quality QDs with markedly reduced synthesis time, and better stability than a lone hydrothermal method. The QDs were characterized by transmission electronic microscopy and powder X-ray diffraction and X-ray photoelectron spectroscopy. The CdTe-CdS QDs with core-shell structure showed both enhanced fluorescence and better photo stability than nude CdTe QDs. After conjugating with antibody rabbit anti-CEACAM8 (CD67), the as-prepared l-Cys capped CdTe-CdS QDs were successfully used as fluorescent probes for the direct immuno-labeling and imaging of HeLa cells. It was indicated that this kind of QD would have application potential in bio-labeling and cell imaging. Copyright © 2009 John Wiley & Sons, Ltd.

Metallic corrosion processes reactivation sustained by iron-reducing bacteria: Implication on long-term stability of protective layers

NASA Astrophysics Data System (ADS)

Esnault, L.; Jullien, M.; Mustin, C.; Bildstein, O.; Libert, M.

In deep geological environments foreseen for the disposal of radioactive waste, metallic containers will undergo anaerobic corrosion. In this context, the formation of corrosion products such as magnetite may reduce the rate of corrosion processes through the formation of a protective layer. This study aims at determining the direct impact of iron-reducing bacteria (IRB) activity on the stability of corrosion protective layers. Batch experiments investigating iron corrosion processes including the formation of secondary magnetite and its subsequent alteration in the presence of IRB show the bacteria ability to use structural Fe(III) for respiration which leads to the sustainment of a high corrosion rate. With the bio-reduction of corrosion products such as magnetite, and H 2 as electron donor, IRB promote the reactivation of corrosion processes in corrosive environments by altering the protective layer. This phenomenon could have a major impact on the long-term stability of metallic compounds involved in multi-barrier system for high-level radioactive waste containment.

Heterostructured TiO2/NiTiO3 Nanorod Arrays for Inorganic Sensitized Solar Cells with Significantly Enhanced Photovoltaic Performance and Stability.

PubMed

Li, Yue-Ying; Wang, Jian-Gan; Sun, Huan-Huan; Wei, Bingqing

2018-04-11

Organic dyes used in the conventional dye-sensitized solar cells (DSSCs) suffer from poor light stability and high cost. In this work, we demonstrate a new inorganic sensitized solar cell based on ordered one-dimensional semiconductor nanorod arrays of TiO 2 /NiTiO 3 (NTO) heterostructures prepared via a facile two-step hydrothermal approach. The semiconductor heterostructure arrays are highly desirable and promising for DSSCs because of their direct charge transport capability and slow charge recombination rate. The low-cost NTO inorganic semiconductor possesses an appropriate band gap that matches well with TiO 2 , which behaves like a "dye" to enable efficient light harvesting and fast electron-hole separation. The solar cells constructed by the ordered TiO 2 /NTO heterostructure photoanodes show a significantly improved power conversion efficiency, high fill factor, and more promising, outstanding life stability. The present work will open up an avenue to design heterostructured inorganics for high-performance solar cells.

A novel lipoprotein nanoparticle system for membrane proteins

PubMed Central

Frauenfeld, Jens; Löving, Robin; Armache, Jean-Paul; Sonnen, Andreas; Guettou, Fatma; Moberg, Per; Zhu, Lin; Jegerschöld, Caroline; Flayhan, Ali; Briggs, John A.G.; Garoff, Henrik; Löw, Christian; Cheng, Yifan; Nordlund, Pär

2016-01-01

Membrane proteins are of outstanding importance in biology, drug discovery and vaccination. A common limiting factor in research and applications involving membrane proteins is the ability to solubilize and stabilize membrane proteins. Although detergents represent the major means for solubilizing membrane proteins, they are often associated with protein instability and poor applicability in structural and biophysical studies. Here, we present a novel lipoprotein nanoparticle system that allows for the reconstitution of membrane proteins into a lipid environment that is stabilized by a scaffold of Saposin proteins. We showcase the applicability of the method on two purified membrane protein complexes as well as the direct solubilization and nanoparticle-incorporation of a viral membrane protein complex from the virus membrane. We also demonstrate that this lipid nanoparticle methodology facilitates high-resolution structural studies of membrane proteins in a lipid environment by single-particle electron cryo-microscopy (cryo-EM) and allows for the stabilization of the HIV-envelope glycoprotein in a functional state. PMID:26950744

14 CFR 29.177 - Static directional stability.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Static directional stability. 29.177... Static directional stability. (a) The directional controls must operate in such a manner that the sense... versus directional control position curve may have a negative slope within a small range of angles around...

Facile solvothermal synthesis of highly active and robust Pd1.87Cu0.11Sn electrocatalyst towards direct ethanol fuel cell applications

NASA Astrophysics Data System (ADS)

Jana, Rajkumar; Dhiman, Shikha; Peter, Sebastian C.

2016-08-01

Ordered intermetallic Pd1.87Cu0.11Sn ternary electrocatalyst has been synthesized by sodium borohydride reduction of precursor salts Pd(acac)2, CuCl2.2H2O and SnCl2 using one-pot solvothermal synthesis method at 220 °C with a reaction time of 24 h. To the best of our knowledge, here for the first time we report surfactant free synthesis of a novel ordered intermetallic ternary Pd1.87Cu0.11Sn nanoparticles. The ordered structure of the catalyst has been confirmed by powder x-ray diffraction, transmission electron microscopy (TEM). Composition and morphology of the nanoparticles have been confirmed through field emission scanning electron microscopy, energy-dispersive spectrometry and TEM. The electrocatalytic activity and stability of the ternary electrocatalyst towards ethanol oxidation in alkaline medium was investigated by cyclic voltammetry and chronoamperometry techniques. The catalyst is proved to be highly efficient and stable upto 500th cycle and even better than commercially available Pd/C (20 wt%) electrocatalysts. The specific and mass activity of the as synthesized ternary catalyst are found to be ∼4.76 and ∼2.9 times better than that of commercial Pd/C. The enhanced activity and stability of the ordered ternary Pd1.87Cu0.11Sn catalyst can make it as a promising candidate for the alkaline direct ethanol fuel cell application.

A novel mesoporous silica nanosphere matrix for the immobilization of proteins and their applications as electrochemical biosensor.

PubMed

Li, Juan; Qin, Xingzhang; Yang, Zhanjun; Qi, Huamei; Xu, Qin; Diao, Guowang

2013-01-30

A mesoporous silica nanoshpere (MSN) was proposed to modify glassy carbon electrode (GCE) for the immobilization of protein. Using glucose oxidase (GOD) as a model, direct electrochemistry of protein and biosensing at the MSN modified GCE was studied for the first time. The MNS had large surface area and offered a favorable microenvironment for facilitating the direct electron transfer between enzyme and electrode surface. Scanning electron microscopy, transmission electron microscopy, UV-vis spectroscopy and cyclic voltammetry were used to examine the interaction between GOD and the MSN matrix. The results demonstrated that the immobilized enzyme on the MSN retained its native structure and bioactivity. In addition, the electrochemical reaction showed a surface controlled, reversible two-proton and two-electron transfer process with the apparent electron transfer rate constant of 3.96 s(-1). The MNS-based glucose biosensor exhibited the two linear ranges of 0.04-2.0 mM and 2.0-4.8 mM, a high sensitivity of 14.5 mA M(-1) cm(-2) and a low detection limit of 0.02 mM at signal-to-noise of 3. The proposed biosensor showed excellent selectivity, good reproducibility, acceptable stability and could be successfully applied in the reagentless detection of glucose in real samples at -0.45 V. The work displayed that mesoporous silica nanosphere provided a promising approach for immobilizing proteins and fabrication of excellent biosensors. Copyright © 2012 Elsevier B.V. All rights reserved.

Self-assembly of glucose oxidase on reduced graphene oxide-magnetic nanoparticles nanocomposite-based direct electrochemistry for reagentless glucose biosensor.

PubMed

Pakapongpan, Saithip; Poo-Arporn, Rungtiva P

2017-07-01

A novel approach of the immobilization of a highly selective and stable glucose biosensor based on direct electrochemistry was fabricated by a self-assembly of glucose oxidase (GOD) on reduced graphene oxide (RGO) covalently conjugated to magnetic nanoparticles (Fe 3 O 4 NPs) modified on a magnetic screen-printed electrode (MSPE). The RGO-Fe 3 O 4 nanocomposite has remarkable enhancement in large surface areas, is favorable environment for enzyme immobilization, facilitates electron transfer between enzymes and electrode surfaces and possesses superparamagnetism property. The morphology and electrochemical properties of RGO-Fe 3 O 4 /GOD were characterized by scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, cyclic voltammetry (CV) and amperometry. The modified electrode was a fast, direct electron transfer with an apparent electron transfer rate constant (k s ) of 13.78s -1 . The proposed biosensor showed fast amperometric response (3s) to glucose with a wide linear range from 0.05 to 1mM, a low detection limit of 0.1μM at a signal to noise ratio of 3 (S/N=3) and good sensitivity (5.9μA/mM). The resulting biosensor has high stability, good reproducibility, excellent selectivity and successfully applied detection potential at -0.45V. This mediatorless glucose sensing used the advantages of covalent bonding and self-assembly as a new approach for immobilizing enzymes without any binder. It would be worth noting that it opens a new avenue for fabricating excellent electrochemical biosensors. This is a new approach that reporting the immobilization of glucose oxidase on reduced graphene oxide (RGO) covalently conjugated to magnetic nanoparticles (Fe 3 O 4 NPs) by electrostatic interaction and modified screen printed electrode. We propose the reagentless with fabrication method without binder and adhesive agents for immobilized enzyme. Fe 3 O 4 NPs increasing surface area to enhance the immobilization and prevent the leaching of enzymes at electrode surfaces by magnetic stickers which is improve the stability of the biosensor. Based on this synthesis technique, it is a good new strategy and simple used to fabrication of third-generation glucose biosensor and this nanocomposite could be used as a platform for disposable biosensor and biofuel cell applications. Copyright © 2017 Elsevier B.V. All rights reserved.

Performance and stability of Pd nanostructures in an alkaline direct ethanol fuel cell

NASA Astrophysics Data System (ADS)

Carrera-Cerritos, R.; Fuentes-Ramírez, R.; Cuevas-Muñiz, F. M.; Ledesma-García, J.; Arriaga, L. G.

2014-12-01

Pd nanopolyhedral, nanobar and nanorod particles were synthesised using the polyol process and evaluated as anodes in a direct ethanol fuel cell. The materials were physico-chemically characterised by high-resolution transmission electronic microscopy (HR-TEM), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). The effect of the operation parameters (i.e., temperature and fuel ethanol concentration) on the maximum power density (MPD) and open circuit voltage (OCV) was investigated. In addition, a stability test was performed by applying three current density steps for fifty cycles. The OCV values increased as the temperature increased for all of the catalysts at low ethanol concentration. Although the MPD increased with temperature for all of the catalyst independent of the ethanol concentration, the effect of the temperature on the MPD for each Pd structure results in different slopes due to the different crystal faces. Finally, a loss of electro-catalytic activity after fifty cycles was observed in all of the catalysts evaluated, which may be in response to morphological changes in the nanostructures.

In- and Ga-based inorganic double perovskites with direct bandgaps for photovoltaic applications.

PubMed

Dai, Jun; Ma, Liang; Ju, Minggang; Huang, Jinsong; Zeng, Xiao Cheng

2017-08-16

Double perovskites in the form of A 2 B'B''X 6 (A = Cs, B' = Ag, B'' = Bi) have been reported as potential alternatives to lead-containing organometal trihalide perovskites. However, all double perovskites synthesized to date exhibit indirect bandgaps >1.95 eV, which are undesirable for photovoltaic and optoelectronic applications. Herein, we report a comprehensive computer-aided screening of In- and Ga-based double perovskites for potential photovoltaic applications. To this end, several preconditions are implemented for the screening of optimal candidates, which include structural stability, electronic bandgaps, and optical absorption. Importantly, four In- and Ga-based double perovskites are identified to possess direct bandgaps within the desirable range of 0.9-1.6 eV for photovoltaic applications. Dominant optical absorption of the four double perovskites is found to be in the UV range. The structural and thermal stability of the four double perovskites are examined using both the empirical Goldschmidt ratio and convex-hull calculations. Only Cs 2 AgInBr 6 is predicted to be thermodynamically stable.

Ferromagnetism and semiconducting of boron nanowires

PubMed Central

2012-01-01

More recently, motivated by extensively technical applications of carbon nanostructures, there is a growing interest in exploring novel non-carbon nanostructures. As the nearest neighbor of carbon in the periodic table, boron has exceptional properties of low volatility and high melting point and is stronger than steel, harder than corundum, and lighter than aluminum. Boron nanostructures thus are expected to have broad applications in various circumstances. In this contribution, we have performed a systematical study of the stability and electronic and magnetic properties of boron nanowires using the spin-polarized density functional calculations. Our calculations have revealed that there are six stable configurations of boron nanowires obtained by growing along different base vectors from the unit cell of the bulk α-rhombohedral boron (α-B) and β-rhombohedral boron (β-B). Well known, the boron bulk is usually metallic without magnetism. However, theoretical results about the magnetic and electronic properties showed that, whether for the α-B-based or the β-B-based nanowires, their magnetism is dependent on the growing direction. When the boron nanowires grow along the base vector [001], they exhibit ferromagnetism and have the magnetic moments of 1.98 and 2.62 μB, respectively, for the α-c [001] and β-c [001] directions. Electronically, when the boron nanowire grows along the α-c [001] direction, it shows semiconducting and has the direct bandgap of 0.19 eV. These results showed that boron nanowires possess the unique direction dependence of the magnetic and semiconducting behaviors, which are distinctly different from that of the bulk boron. Therefore, these theoretical findings would bring boron nanowires to have many promising applications that are novel for the boron bulk. PMID:23244063

Suppressed Sr segregation and performance of directly assembled La0.6Sr0.4Co0.2Fe0.8O3-δ oxygen electrode on Y2O3-ZrO2 electrolyte of solid oxide electrolysis cells

NASA Astrophysics Data System (ADS)

Ai, Na; He, Shuai; Li, Na; Zhang, Qi; Rickard, William D. A.; Chen, Kongfa; Zhang, Teng; Jiang, San Ping

2018-04-01

Active and stable oxygen electrode is probably the most important in the development of solid oxide electrolysis cells (SOECs) technologies. Herein, we report the successful development of mixed ionic and electronic conducting (MIEC) La0.6Sr0.4Co0.2Fe0.8O3-δ (LSCF) perovskite oxides directly assembled on barrier-layer-free yttria-stabilized zirconia (YSZ) electrolyte as highly active and stable oxygen electrodes of SOECs. Electrolysis polarization effectively induces the formation of electrode/electrolyte interface, similar to that observed under solid oxide fuel cell (SOFC) operation conditions. However, in contrast to the significant performance decay under SOFC operation conditions, the cell with directly assembled LSCF oxygen electrodes shows excellent stability, tested for 300 h at 0.5 A cm-2 and 750 °C under SOEC operation conditions. Detailed microstructure and phase analysis reveal that Sr segregation is inevitable for LSCF electrode, but anodic polarization substantially suppresses Sr segregation and migration to the electrode/electrolyte interface, leading to the formation of stable and efficient electrode/electrolyte interface for water and CO2 electrolysis under SOECs operation conditions. The present study demonstrates the feasibility of using directly assembled MIEC cobaltite based oxygen electrodes on barrier-layer-free YSZ electrolyte of SOECs.

Long-chain amine-templated synthesis of gallium sulfide and gallium selenide nanotubes

NASA Astrophysics Data System (ADS)

Seral-Ascaso, A.; Metel, S.; Pokle, A.; Backes, C.; Zhang, C. J.; Nerl, H. C.; Rode, K.; Berner, N. C.; Downing, C.; McEvoy, N.; Muñoz, E.; Harvey, A.; Gholamvand, Z.; Duesberg, G. S.; Coleman, J. N.; Nicolosi, V.

2016-06-01

We describe the soft chemistry synthesis of amine-templated gallium chalcogenide nanotubes through the reaction of gallium(iii) acetylacetonate and the chalcogen (sulfur, selenium) using a mixture of long-chain amines (hexadecylamine and dodecylamine) as a solvent. Beyond their role as solvent, the amines also act as a template, directing the growth of discrete units with a one-dimensional multilayer tubular nanostructure. These new materials, which broaden the family of amine-stabilized gallium chalcogenides, can be tentatively classified as direct large band gap semiconductors. Their preliminary performance as active material for electrodes in lithium ion batteries has also been tested, demonstrating great potential in energy storage field even without optimization.We describe the soft chemistry synthesis of amine-templated gallium chalcogenide nanotubes through the reaction of gallium(iii) acetylacetonate and the chalcogen (sulfur, selenium) using a mixture of long-chain amines (hexadecylamine and dodecylamine) as a solvent. Beyond their role as solvent, the amines also act as a template, directing the growth of discrete units with a one-dimensional multilayer tubular nanostructure. These new materials, which broaden the family of amine-stabilized gallium chalcogenides, can be tentatively classified as direct large band gap semiconductors. Their preliminary performance as active material for electrodes in lithium ion batteries has also been tested, demonstrating great potential in energy storage field even without optimization. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr01663d

Direct Observation by Rapid-Scan FT-IR Spectroscopy of Two-Electron-Reduced Intermediate of Tetraaza Catalyst [Co IIN 4H(MeCN)] 2+ Converting CO 2 to CO

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

Sheng, Hua; Frei, Heinz

In the search for the two-electron-reduced intermediate of the tetraaza catalyst [Co IIN 4H(MeCN)] 2+ (N 4H = 2,12-dimethyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),2,11,13,15-pentaene) for CO 2 reduction and elementary steps that result in the formation of CO product, rapid-scan FT-IR spectroscopy of the visible-light-sensitized catalysis, using Ir(ppy) 3 in wet acetonitrile (CD 3CN) solution, led to the observation of two sequential intermediates. The initially formed one-electron-reduced [Co IN 4H] +--CO 2 adduct was converted by the second electron to a transient [Co IN 4H] +--CO 2 - complex that spontaneously converted CO 2 to CO in a rate-limiting step on the second time scalemore » in the dark under regeneration of the catalyst (room temperature). The macrocycle IR spectra of the [Co IN 4H] +--CO 2 - complex and the preceding one-electron [Co IN 4H] +--CO 2 intermediate show close similarity but distinct differences in the carboxylate modes, indicating that the second electron resides mainly on the CO 2 ligand. Vibrational assignments are corroborated by 13C isotopic labeling. The structure and stability of the two-electron-reduced intermediate derived from the time-resolved IR study are in good agreement with recent predictions by DFT electronic structure calculations. This is the first observation of an intermediate of a molecular catalyst for CO 2 reduction during the bond-breaking step producing CO. The reaction pathway for the Co tetraaza catalyst uncovered here suggests that the competition between CO 2 reduction and proton reduction of a macrocyclic multi-electron catalyst is steered toward CO 2 activation if the second electron is directly captured by an adduct of CO 2 and the one-electron-reduced catalyst intermediate.« less

Scalable Sub-micron Patterning of Organic Materials Toward High Density Soft Electronics

PubMed Central

Kim, Jaekyun; Kim, Myung-Gil; Kim, Jaehyun; Jo, Sangho; Kang, Jingu; Jo, Jeong-Wan; Lee, Woobin; Hwang, Chahwan; Moon, Juhyuk; Yang, Lin; Kim, Yun-Hi; Noh, Yong-Young; Yun Jaung, Jae; Kim, Yong-Hoon; Kyu Park, Sung

2015-01-01

The success of silicon based high density integrated circuits ignited explosive expansion of microelectronics. Although the inorganic semiconductors have shown superior carrier mobilities for conventional high speed switching devices, the emergence of unconventional applications, such as flexible electronics, highly sensitive photosensors, large area sensor array, and tailored optoelectronics, brought intensive research on next generation electronic materials. The rationally designed multifunctional soft electronic materials, organic and carbon-based semiconductors, are demonstrated with low-cost solution process, exceptional mechanical stability, and on-demand optoelectronic properties. Unfortunately, the industrial implementation of the soft electronic materials has been hindered due to lack of scalable fine-patterning methods. In this report, we demonstrated facile general route for high throughput sub-micron patterning of soft materials, using spatially selective deep-ultraviolet irradiation. For organic and carbon-based materials, the highly energetic photons (e.g. deep-ultraviolet rays) enable direct photo-conversion from conducting/semiconducting to insulating state through molecular dissociation and disordering with spatial resolution down to a sub-μm-scale. The successful demonstration of organic semiconductor circuitry promise our result proliferate industrial adoption of soft materials for next generation electronics. PMID:26411932

Beyond injection: Trojan horse underdense photocathode plasma wakefield acceleration

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

Hidding, B.; Rosenzweig, J. B.; Xi, Y.

2012-12-21

An overview on the underlying principles of the hybrid plasma wakefield acceleration scheme dubbed 'Trojan Horse' acceleration is given. The concept is based on laser-controlled release of electrons directly into a particle-beam-driven plasma blowout, paving the way for controlled, shapeable electron bunches with ultralow emittance and ultrahigh brightness. Combining the virtues of a low-ionization-threshold underdense photocathode with the GV/m-scale electric fields of a practically dephasing-free beam-driven plasma blowout, this constitutes a 4th generation electron acceleration scheme. It is applicable as a beam brightness transformer for electron bunches from LWFA and PWFA systems alike. At FACET, the proof-of-concept experiment 'E-210: Trojanmore » Horse Plasma Wakefield Acceleration' has recently been approved and is in preparation. At the same time, various LWFA facilities are currently considered to host experiments aiming at stabilizing and boosting the electron bunch output quality via a trojan horse afterburner stage. Since normalized emittance and brightness can be improved by many orders of magnitude, the scheme is an ideal candidate for light sources such as free-electron-lasers and those based on Thomson scattering and betatron radiation alike.« less

Scalable sub-micron patterning of organic materials toward high density soft electronics

DOE PAGES

Kim, Jaekyun; Kim, Myung -Gil; Kim, Jaehyun; ...

2015-09-28

The success of silicon based high density integrated circuits ignited explosive expansion of microelectronics. Although the inorganic semiconductors have shown superior carrier mobilities for conventional high speed switching devices, the emergence of unconventional applications, such as flexible electronics, highly sensitive photosensors, large area sensor array, and tailored optoelectronics, brought intensive research on next generation electronic materials. The rationally designed multifunctional soft electronic materials, organic and carbon-based semiconductors, are demonstrated with low-cost solution process, exceptional mechanical stability, and on-demand optoelectronic properties. Unfortunately, the industrial implementation of the soft electronic materials has been hindered due to lack of scalable fine-patterning methods. Inmore » this report, we demonstrated facile general route for high throughput sub-micron patterning of soft materials, using spatially selective deep-ultraviolet irradiation. For organic and carbon-based materials, the highly energetic photons (e.g. deep-ultraviolet rays) enable direct photo-conversion from conducting/semiconducting to insulating state through molecular dissociation and disordering with spatial resolution down to a sub-μm-scale. As a result, the successful demonstration of organic semiconductor circuitry promise our result proliferate industrial adoption of soft materials for next generation electronics.« less

Characterization of organic/organic' and organic/inorganic heterojunctions and their light-absorbing and light-emitting properties

NASA Astrophysics Data System (ADS)

Anderson, Michele Lynn

Increasing the efficiency and durability of organic light-emitting diodes (OLEDs) has attracted attention recently due to their prospective wide-spread use as flat-panel displays. The performance and efficiency of OLEDs is understood to be critically dependent on the quality of the device heterojunctions, and on matching the ionization potentials (IP) and the electron affinities (EA) of the luminescent material (LM) with those of the hole (HTA) and electron (ETA) transport agents, respectively. The color and bandwidth of OLED emission color is thought to reflect the packing of the molecules in the luminescent layer. Finally, materials stability under OLED operating conditions is a significant concern. LM, HTA, and ETA thin films were grown in ultra-high vacuum using the molecular beam epitaxy technique. Thin film structure was determined in situ using reflection high energy electron diffraction (RHEED) and ex situ using UV-Vis spectroscopy. LM, HTA, and ETA occupied frontier orbitals (IP) were characterized by ultraviolet photoelectron spectroscopy (UPS), and their unoccupied frontier orbitals (EA) estimated from UV-Vis and fluorescence spectroscopies in combination with the UPS results. The stability of the molecules toward vacuum deposition was verified by compositional analysis of thin film X-ray photoelectron spectra. The stability of these materials toward redox processes was evaluated by cyclic voltammetry in nonaqueous media. Electrochemical data provide a more accurate estimation of the EA since the energetics for addition of an electron to a neutral molecule can be probed directly. The energetic barriers to charge injection into each layer of the device has been correlated to OLED turn-on voltage, indicating that these measurements may be used to screen potential combinations of materials for OLEDs. The chemical reversibility of LM voltammetry appears to limit the performance and lifetimes of solid-state OLEDs due to degradation of the organic layers. The role of oxygen as an electron trap in OLEDs has also been verified electrochemically. Finally, a more accurate determination of the offset of the occupied energy levels at the interface between two organic layers has been achieved via in situ monitoring of the UPS spectrum during heterojunction formation.

Fabrication of enzyme-based coatings on intact multi-walled carbon nanotubes as highly effective electrodes in biofuel cells

NASA Astrophysics Data System (ADS)

Kim, Byoung Chan; Lee, Inseon; Kwon, Seok-Joon; Wee, Youngho; Kwon, Ki Young; Jeon, Chulmin; An, Hyo Jin; Jung, Hee-Tae; Ha, Su; Dordick, Jonathan S.; Kim, Jungbae

2017-01-01

CNTs need to be dispersed in aqueous solution for their successful use, and most methods to disperse CNTs rely on tedious and time-consuming acid-based oxidation. Here, we report the simple dispersion of intact multi-walled carbon nanotubes (CNTs) by adding them directly into an aqueous solution of glucose oxidase (GOx), resulting in simultaneous CNT dispersion and facile enzyme immobilization through sequential enzyme adsorption, precipitation, and crosslinking (EAPC). The EAPC achieved high enzyme loading and stability because of crosslinked enzyme coatings on intact CNTs, while obviating the chemical pretreatment that can seriously damage the electron conductivity of CNTs. EAPC-driven GOx activity was 4.5- and 11-times higher than those of covalently-attached GOx (CA) on acid-treated CNTs and simply-adsorbed GOx (ADS) on intact CNTs, respectively. EAPC showed no decrease of GOx activity for 270 days. EAPC was employed to prepare the enzyme anodes for biofuel cells, and the EAPC anode produced 7.5-times higher power output than the CA anode. Even with a higher amount of bound non-conductive enzymes, the EAPC anode showed 1.7-fold higher electron transfer rate than the CA anode. The EAPC on intact CNTs can improve enzyme loading and stability with key routes of improved electron transfer in various biosensing and bioelectronics devices.

Glucose biosensor based on glucose oxidase immobilized at gold nanoparticles decorated graphene-carbon nanotubes.

PubMed

Devasenathipathy, Rajkumar; Mani, Veerappan; Chen, Shen-Ming; Huang, Sheng-Tung; Huang, Tsung-Tao; Lin, Chun-Mao; Hwa, Kuo-Yuan; Chen, Ting-Yo; Chen, Bo-Jun

2015-10-01

Biopolymer pectin stabilized gold nanoparticles were prepared at graphene and multiwalled carbon nanotubes (GR-MWNTs/AuNPs) and employed for the determination of glucose. The formation of GR-MWNTs/AuNPs was confirmed by scanning electron microscopy, X-ray diffraction, UV-vis and FTIR spectroscopy methods. Glucose oxidase (GOx) was successfully immobilized on GR-MWNTs/AuNPs film and direct electron transfer of GOx was investigated. GOx exhibits highly enhanced redox peaks with formal potential of -0.40 V (vs. Ag/AgCl). The amount of electroactive GOx and electron transfer rate constant were found to be 10.5 × 10(-10) mol cm(-2) and 3.36 s(-1), respectively, which were significantly larger than the previous reports. The fabricated amperometric glucose biosensor sensitively detects glucose and showed two linear ranges: (1) 10 μM - 2 mM with LOD of 4.1 μM, (2) 2 mM - 5.2 mM with LOD of 0.95 mM. The comparison of the biosensor performance with reported sensors reveals the significant improvement in overall sensor performance. Moreover, the biosensor exhibited appreciable stability, repeatability, reproducibility and practicality. The other advantages of the fabricated biosensor are simple and green fabrication approach, roughed and stable electrode surface, fast in sensing and highly reproducible. Copyright © 2015 Elsevier Inc. All rights reserved.

Stabilization of electron-scale turbulence by electron density gradient in national spherical torus experiment

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

Ruiz Ruiz, J.; White, A. E.; Ren, Y.

2015-12-15

Theory and experiments have shown that electron temperature gradient (ETG) turbulence on the electron gyro-scale, k{sub ⊥}ρ{sub e} ≲ 1, can be responsible for anomalous electron thermal transport in NSTX. Electron scale (high-k) turbulence is diagnosed in NSTX with a high-k microwave scattering system [D. R. Smith et al., Rev. Sci. Instrum. 79, 123501 (2008)]. Here we report on stabilization effects of the electron density gradient on electron-scale density fluctuations in a set of neutral beam injection heated H-mode plasmas. We found that the absence of high-k density fluctuations from measurements is correlated with large equilibrium density gradient, which ismore » shown to be consistent with linear stabilization of ETG modes due to the density gradient using the analytical ETG linear threshold in F. Jenko et al. [Phys. Plasmas 8, 4096 (2001)] and linear gyrokinetic simulations with GS2 [M. Kotschenreuther et al., Comput. Phys. Commun. 88, 128 (1995)]. We also found that the observed power of electron-scale turbulence (when it exists) is anti-correlated with the equilibrium density gradient, suggesting density gradient as a nonlinear stabilizing mechanism. Higher density gradients give rise to lower values of the plasma frame frequency, calculated based on the Doppler shift of the measured density fluctuations. Linear gyrokinetic simulations show that higher values of the electron density gradient reduce the value of the real frequency, in agreement with experimental observation. Nonlinear electron-scale gyrokinetic simulations show that high electron density gradient reduces electron heat flux and stiffness, and increases the ETG nonlinear threshold, consistent with experimental observations.« less

Coronal electron stream and Langmuir wave detection inside a propagation channel at 4.3 AU

NASA Technical Reports Server (NTRS)

Buttighoffer, A.; Pick, M.; Roelof, E. C.; Hoang, S.; Mangeney, A.; Lanzerotti, L. J.; Forsyth, R. J.; Phillips, J. L.

1995-01-01

Observations of an energetic interplanetary electron event associated with the production of Langmuir waves, both of which are identified at 4.3 AU by instruments on the Ulysses spacecraft, are presented in this paper. This electron event propagates inside a well-defined magnetic structure. The existence of this structure is firmly established by joint particle and plasma observations made by Ulysses instruments. Its local estimated radial width is of the order of 2.3 x 10(exp 7) km (0.15 AU). The electron beam is associated with a type III burst observed from Earth at high frequencies and at low frequencies from Ulysses in association with Langmuir waves detected inside the structure. The consistency of local (Ulysses) and remote (Earth) observations in terms of temporal and geometrical considerations establishes that the structure is anchored in the solar corona near the solar active region responisble for the observed type III emission and gives an accurate determination of the injection time for the observed electron beam. Propagation analysis of the electron event is presented. In order to quantify the magnetic field properties, a variance analysis has been performed and is presented in this paper. The analysis establishes that inside the structure the amount of magnetic energy involved in the fluctuations is less than 4% of the total magnetic energy; the minimal variance direction is well defined and in coincidence with the direction of the mean magnetic field. This configuration may produce conditions favorable for scatter free streaming of energetic electrons and/or Langmuir wave production. The results presented show that the magnetic field might play a role in stabilizing the coronal-origin plasma structures and then preserving them to large, approximately 4 AU, distances in the heliosphere.

Stability of Electrons in the Virtual Cathode Region of an IEC

NASA Astrophysics Data System (ADS)

Kim, Hyng-Jin; Miley, George; Momota, Hiromu

2003-04-01

In the Inertial Electrostatic Confinement (IEC) device, electrons are confined inside a virtual anode that in turn confines ions. Prior stability studies [1, 2] have considered systems in which one species is electrostatically confined by the other, and either or both species are out of local thermal equilibrium. In the present research, electron stability in the virtual cathode region of an ion injected IEC is being studied. The ion density in an IEC is non-uniform due to the radial electrostatic potential, and increases toward the center region. The potential near the virtual cathode is assumed to have a parabolic shape and is determined assuming that the net space charge density is constant in that region. The corresponding ion distribution function is assumed to have the form f = C [sigma] (H W) /L^0.5 and the electron response is taken to be diabatic. Then using a variational principle after linearizing the hydrodynamic equations, stability properties of the electron layer are determined. Results will be presented as a function of injected ion/electron current ratios. 1. L. Chacon and D. C. Barnes, Phys. Plasma 7, 4774 (2000). 2. D. C. Barnes, L. Chacon, and J. M. Finn, Phys. Plasmas 9, 4448 (2002).

Influence of the anisotropy on the performance of D-band SiC IMPATT diodes

NASA Astrophysics Data System (ADS)

Chen, Qing; Yang, Lin'an; Wang, Shulong; Zhang, Yue; Dai, Yang; Hao, Yue

2015-03-01

Numerical simulation has been made to predict the RF performance of <0001> direction and <> direction p+/n/n-/n+ (single drift region) 4H silicon carbide (4H-SiC) impact-ionization-avalanche-transit-time (IMPATT) diodes for operation at D-band frequencies. We observed that the output performance of 4H-SiC IMPATT diode is sensitive to the crystal direction of the one-dimensional current flow. The simulation results show that <0001> direction 4H-SiC IMPATT diode provides larger breakdown voltage for its lower electron and hole ionization rates and higher dc-to-rf conversion efficiency (η) for its higher ratio of drift zone voltage drop (VD) to breakdown voltage (VB) compared with those for <> direction 4H-SiC IMPATT diode, which lead to higher-millimeter-wave power output for <0001> direction 4H-SiC IMPATT compared to <> direction. However, the quality factor Q for the <> direction 4H-SiC IMPATT diode is lower than that of <0001> direction, which implies that the <> direction 4H-SiC IMPATT diode exhibits better stability and higher growth rate of microwave oscillation compared with <0001> direction 4H-SiC IMPATT diode.

RF Phase Stability and Electron Beam Characterization for the PLEIADES Thomson X-Ray Source

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

Brown, W J; Hartemann, F V; Tremaine, A M

2002-10-16

We report on the performance of an S-band RF photocathode electron gun and accelerator for operation with the PLEIADES Thomson x-ray source at LLNL. To produce picosecond, high brightness x-ray pulses, picosecond timing, terahertz bandwidth diagnostics, and RF phase control are required. Planned optical, RF, x-ray and electron beam measurements to characterize the dependence of electron beam parameters and synchronization on RF phase stability are presented.

Improving the Mechanical Performance and Thermal Stability of a PVA-Clay Nanocomposite by Electron Beam Irradiation

NASA Astrophysics Data System (ADS)

Shokuhi Rad, A.; Ebrahimi, D.

2017-07-01

The effects of electron beam irradiation and presence of clay on the mechanical properties and thermal stability of montmorillonite clay-modified polyvinyl alcohol nanocomposites were studied. By using the X-ray diffraction (XRD) and transmission electron microscopy (TEM), the microstructure of the nanocomposites was investigated. The results obtained from TEM and XRD tests showed that montmorillonite clay nanoparticles were located in the polyvinyl alcohol phase. The XRD analysis confirmed the formation of an exfoliated structure in nanocomposites samples. Increasing the amount of clay to 20 wt.% increased the tensile strength and modulus of the nanocomposite. Irradiation up to an absorbed dose of 100 kGy increased its mechanical properties and thermal stability, but at higher irradiation levels, the mechanical strength and thermal stability declined. The sample with 20 wt.% of the nanofiller, exposed to 100 kGy, showed the highest mechanical strength and thermal stability.

Trapped particle stability for the kinetic stabilizer

NASA Astrophysics Data System (ADS)

Berk, H. L.; Pratt, J.

2011-08-01

A kinetically stabilized axially symmetric tandem mirror (KSTM) uses the momentum flux of low-energy, unconfined particles that sample only the outer end-regions of the mirror plugs, where large favourable field-line curvature exists. The window of operation is determined for achieving magnetohydrodynamic (MHD) stability with tolerable energy drain from the kinetic stabilizer. Then MHD stable systems are analysed for stability of the trapped particle mode. This mode is characterized by the detachment of the central-cell plasma from the kinetic-stabilizer region without inducing field-line bending. Stability of the trapped particle mode is sensitive to the electron connection between the stabilizer and the end plug. It is found that the stability condition for the trapped particle mode is more constraining than the stability condition for the MHD mode, and it is challenging to satisfy the required power constraint. Furthermore, a severe power drain may arise from the necessary connection of low-energy electrons in the kinetic stabilizer to the central region.

Enhanced activity of Pt/CNTs anode catalyst for direct methanol fuel cells using Ni2P as co-catalyst

NASA Astrophysics Data System (ADS)

Li, Xiang; Luo, Lanping; Peng, Feng; Wang, Hongjuan; Yu, Hao

2018-03-01

The direct methanol fuel cell is a promising energy conversion device because of the utilization of the state-of-the-art platinum (Pt) anode catalyst. In this work, novel Pt/Ni2P/CNTs catalysts were prepared by the H2 reduction method. It was found that the activity and stability of Pt for methanol oxidation reaction (MOR) could be significantly enhanced while using nickel phosphide (Ni2P) nanoparticles as co-catalyst. X-ray photoelectron spectroscopy revealed that the existence of Ni2P affected the particle size and electronic distribution of Pt obviously. Pt/CNTs catalyst, Pt/Ni2P/CNTs catalysts with different Ni2P amount were synthesized, among which Pt/6%Ni2P/CNTs catalyst exhibited the best MOR activity of 1400 mAmg-1Pt, which was almost 2.5 times of the commercial Pt/C-JM catalyst. Moreover, compared to other Pt-based catalysts, this novel Pt/Ni2P/CNTs catalyst also exhibited higher onset current density and better steady current density. The result of this work may provide positive guidance to the research on high efficiency and stability of Pt-based catalyst for direct methanol fuel cells.

Investigating the thermostability of succinate: quinone oxidoreductase enzymes by direct electrochemistry at SWNTs-modified electrodes and FTIR spectroscopy

PubMed Central

Melin, Frederic; Noor, Mohamed R.; Pardieu, Elodie; Boulmedais, Fouzia; Banhart, Florian; Cecchini, Gary; Soulimane, Tewfik

2015-01-01

Succinate Quinone reductases (SQRs) are the enzymes which couple the oxidation of succinate and the reduction of quinones in the respiratory chain of prokaryotes and eukaryotes. We compare herein the temperature-dependent activity and structural stability of two SQRs, the first one from the mesophilic bacterium E. coli and the second one from the thermophilic bacterium T. thermophilus by a combined electrochemical and infrared spectroscopy approach. Direct electron transfer was achieved with the full membrane protein complexes at SWNTs-modified electrodes. The possible structural factors which contribute to the temperature-dependent activity of the enzymes and to the thermostability of the T. thermophiles SQR in particular, are discussed. PMID:25139263

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

Michaelos, Thoe K.; Shopov, Dimitar Y.; Sinha, Shashi Bhushan

Here, water-oxidation catalysis is a critical bottleneck in the direct generation of solar fuels by artificial photosynthesis. Catalytic oxidation of difficult substrates such as water requires harsh conditions, so that the ligand must be designed both to stabilize high oxidation states of the metal center and to strenuously resist ligand degradation. Typical ligand choices either lack sufficient electron donor power or fail to stand up to the oxidizing conditions. This research on Ir-based water-oxidation catalysts (WOCs) has led us to identify a ligand, 2-(2'-pyridyl)-2-propanoate or “pyalk” that fulfills these requirements.

Collective nuclear stabilization in single quantum dots by noncollinear hyperfine interaction

NASA Astrophysics Data System (ADS)

Yang, Wen; Sham, L. J.

2012-06-01

We present a theory of efficient suppression of the collective nuclear spin fluctuation, which prolongs the electron spin coherence time through the noncollinear hyperfine interaction between the nuclear spins and the hole spin. This provides a general paradigm to combat decoherence by direct control of environmental noise, and a possible solution to the puzzling observation of symmetric broadening of the absorption spectra in two recent experiments [Xu , Nature (London)NATUAS0028-083610.1038/nature08120 459, 1105 (2009) and Latta , Nature Phys.1745-247310.1038/nphys1363 5, 758 (2009)].

Overview of Stabilizing Ligands for Biocompatible Quantum Dot Nanocrystals

PubMed Central

Zhang, Yanjie; Clapp, Aaron

2011-01-01

Luminescent colloidal quantum dots (QDs) possess numerous advantages as fluorophores in biological applications. However, a principal challenge is how to retain the desirable optical properties of quantum dots in aqueous media while maintaining biocompatibility. Because QD photophysical properties are directly related to surface states, it is critical to control the surface chemistry that renders QDs biocompatible while maintaining electronic passivation. For more than a decade, investigators have used diverse strategies for altering the QD surface. This review summarizes the most successful approaches for preparing biocompatible QDs using various chemical ligands. PMID:22247651

Ceramic thermal barrier coatings for commercial gas turbine engines

NASA Technical Reports Server (NTRS)

Meier, Susan Manning; Gupta, Dinesh K.; Sheffler, Keith D.

1991-01-01

The paper provides an overview of the short history, current status, and future prospects of ceramic thermal barrier coatings for gas turbine engines. Particular attention is given to plasma-sprayed and electron beam-physical vapor deposited yttria-stabilized (7 wt pct Y2O3) zirconia systems. Recent advances include improvements in the spallation life of thermal barrier coatings, improved bond coat composition and spraying techniques, and improved component design. The discussion also covers field experience, life prediction modeling, and future directions in ceramic coatings in relation to gas turbine engine design.

Carbon Nanotube Electron Gun

NASA Technical Reports Server (NTRS)

Ribaya, Bryan P. (Inventor); Nguyen, Cattien V. (Inventor)

2013-01-01

An electron gun, an electron source for an electron gun, an extractor for an electron gun, and a respective method for producing the electron gun, the electron source and the extractor are disclosed. Embodiments provide an electron source utilizing a carbon nanotube (CNT) bonded to a substrate for increased stability, reliability, and durability. An extractor with an aperture in a conductive material is used to extract electrons from the electron source, where the aperture may substantially align with the CNT of the electron source when the extractor and electron source are mated to form the electron gun. The electron source and extractor may have alignment features for aligning the electron source and the extractor, thereby bringing the aperture and CNT into substantial alignment when assembled. The alignment features may provide and maintain this alignment during operation to improve the field emission characteristics and overall system stability of the electron gun.

Carbon nanotube electron gun

NASA Technical Reports Server (NTRS)

Nguyen, Cattien V. (Inventor); Ribaya, Bryan P. (Inventor)

2010-01-01

An electron gun, an electron source for an electron gun, an extractor for an electron gun, and a respective method for producing the electron gun, the electron source and the extractor are disclosed. Embodiments provide an electron source utilizing a carbon nanotube (CNT) bonded to a substrate for increased stability, reliability, and durability. An extractor with an aperture in a conductive material is used to extract electrons from the electron source, where the aperture may substantially align with the CNT of the electron source when the extractor and electron source are mated to form the electron gun. The electron source and extractor may have alignment features for aligning the electron source and the extractor, thereby bringing the aperture and CNT into substantial alignment when assembled. The alignment features may provide and maintain this alignment during operation to improve the field emission characteristics and overall system stability of the electron gun.

Substituents on Quinone Methides Strongly Modulate Formation and Stability of Their Nucleophilic Adducts

PubMed Central

Weinert, Emily E.; Dondi, Ruggero; Colloredo-Melz, Stefano; Frankenfield, Kristen N.; Mitchell, Charles H.; Freccero, Mauro; Rokita, Steven E.

2008-01-01

Electronic perturbation of quinone methides (QM) greatly influences their stability and in turn alters the kinetics and product profile of QM reaction with deoxynucleosides. Consistent with the electron deficient nature of this reactive intermediate, electron-donating substituents are stabilizing and electron-withdrawing substituents are destabilizing. For example, a dC N3-QM adduct is made stable over the course of observation (7 days) by the presence of an electron-withdrawing ester group that inhibits QM regeneration. Conversely, a related adduct with an electron donating methyl group is very labile and regenerates its QM with a half-life of approximately 5 hr. The generality of these effects is demonstrated with a series of alternative quinone methide precursors (QMP) containing a variety of substituents attached at different positions with respect to the exocyclic methylene. The rates of nucleophilic addition to substituted QMs measured by laser flash photolysis similarly span five orders of magnitude with electron rich species reacting most slowly and electron deficient species reacting most quickly. The reversibility of QM reaction can now be predictably adjusted for any desired application. PMID:16953635

Stability enhancement and electronic tunability of two-dimensional SbIV compounds via surface functionalization

NASA Astrophysics Data System (ADS)

Zhou, Wenhan; Guo, Shiying; Liu, Xuhai; Cai, Bo; Song, Xiufeng; Zhu, Zhen; Zhang, Shengli

2018-01-01

We propose a family of hydrogenated- and halogenated-SbIV (SbIVX-2) materials that simultaneously have two-dimensional (2D) structures, high stability and appealing electronic properties. Based on first-principles total-energy and vibrational-spectra calculations, SbIVX-2 monolayers are found both thermally and dynamically stable. Varying IV and X elements can rationally tune the electronic properties of SbIVX-2 monolayers, effectively modulating the band gap from 0 to 3.42 eV. Regarding such superior stability and broad band-gap range, SbIVX-2 monolayers are expected to be synthesized in experiments and taken as promising candidates for low-dimensional electronic and optoelectronic devices, such as blue-to-ultraviolet light-emitting diodes (LED) and photodetectors.

Direct measurement of ferromagnetic ordering in biaxially strained LaCoO3 thin films

NASA Astrophysics Data System (ADS)

Klie, R. F.; Yuan, T.; Tanase, M.; Yang, G.; Ramasse, Q.

2010-02-01

LaCoO3 undergoes a transition from a nonmagnetic to a paramagnetic semiconductor at 80 K, associated with a spin-state transition of the Co3+ ions. It was proposed that the temperature of the spin-state transition depends strongly on the LaCoO3 lattice parameter, suggesting that strain can stabilize different spin states at different temperatures. By combining atomic-resolution Z-contrast imaging, electron diffraction, and angular-resolved electron energy-loss spectroscopy (EELS) with in situ cooling experiments, we show that epitaxially strained LaCoO3 (001) thin films grown on LaAlO3 (001) do not undergo a low temperature spin-state transition. Our EELS study explores the origins of the ferromagnetic ordering in strained LaCoO3 films.

A novel hydrogen peroxide biosensor based on hemoglobin-collagen-CNTs composite nanofibers.

PubMed

Li, J; Mei, H; Zheng, W; Pan, P; Sun, X J; Li, F; Guo, F; Zhou, H M; Ma, J Y; Xu, X X; Zheng, Y F

2014-06-01

In this paper, carbon nanotubes (CNTs) were successfully incorporated in the composite composed of hemoglobin (Hb) and collagen using co-electrospinning technology. The formed Hb-collagen-CNTs composite nanofibers possessed distinct advantage of three-dimensional porous structure, biocompatibility and excellent stability. The Hb immobilized in the electrospun nanofibers retained its natural structure and the heterogeneous electron transfer rate constant (ks) of the direct electron transfer between Hb and electrodes was 5.3s(-1). In addition, the electrospun Hb-collagen-CNTs nanofibers modified electrodes showed good electrocatalytic properties toward H2O2 with a detection limit of 0.91μM (signal-to-noise ratio of 3) and the apparent Michaelis-Menten constant (Km(app)) of 32.6μM. Copyright © 2014 Elsevier B.V. All rights reserved.

Peptide-based biosensors: From self-assembled interfaces to molecular probes in electrochemical assays.

PubMed

Puiu, Mihaela; Bala, Camelia

2018-04-01

Redox-tagged peptides have emerged as functional materials with multiple applications in the area of sensing and biosensing applications due to their high stability, excellent redox properties and versatility of biomolecular interactions. They allow direct observation of molecular interactions in a wide range of affinity and enzymatic assays and act as electron mediators. Short helical peptides possess the ability to self-assemble in specific configurations with the possibility to develop in highly-ordered, stable 1D, 2D and 3D architectures in a hierarchical controlled manner. We provide here a brief overview of the electrochemical techniques available to study the electron transfer in peptide films with particular interest in developing biosensors with immobilized peptide motifs, for biological and clinical applications. Copyright © 2017 Elsevier B.V. All rights reserved.

Effect of confinement potential on exciton diamagnetism in the perspective of constituent carriers in a Quantum Well

NASA Astrophysics Data System (ADS)

Vignesh, G.; Nithiananthi, P.

2018-03-01

Diamagnetic susceptibility of excitons is investigated in the perspective of the electron and hole separation along the lateral (ρ) and normal direction (z) of a GaAs/AlxGa1-xAs quantum well. Using a variational technique, the spatial extensions of these carriers has been observed. The coulomb interaction of the carriers is investigated by subjecting the carriers to three confinement potentials, Square (SQW), Parabolic (PQW) and Triangular Quantum Wells (TQW). The stability of the exciton has been estimated by observing the diamagnetic susceptibility. The hole is very sensitive to confinement potential and has tremendous variations in spatial extension. Among the three confinements, TQW offers more localization and high stability to excitons. The anisotropy of band parameters and the dielectric constants of the well and barrier materials are taken into consideration.

Dynamics and stability of a 2D ideal vortex under external strain

NASA Astrophysics Data System (ADS)

Hurst, N. C.; Danielson, J. R.; Dubin, D. H. E.; Surko, C. M.

2017-11-01

The behavior of an initially axisymmetric 2D ideal vortex under an externally imposed strain flow is studied experimentally. The experiments are carried out using electron plasmas confined in a Penning-Malmberg trap; here, the dynamics of the plasma density transverse to the field are directly analogous to the dynamics of vorticity in a 2D ideal fluid. An external strain flow is applied using boundary conditions in a way that is consistent with 2D fluid dynamics. Data are compared to predictions from a theory assuming a piecewise constant elliptical vorticity distribution. Excellent agreement is found for quasi-flat profiles, whereas the dynamics of smooth profiles feature modified stability limits and inviscid damping of periodic elliptical distortions. This work supported by U.S. DOE Grants DE-SC0002451 and DE-SC0016532, and NSF Grant PHY-1414570.

Construction of NiO/MnO2/CeO2 hybrid nanoflake arrays as platform for electrochemical energy storage

NASA Astrophysics Data System (ADS)

Cui, Lihua; Cui, Jiewu; Zheng, Hongmei; Wang, Yan; Qin, Yongqiang; Shu, Xia; Liu, Jiaqin; Zhang, Yong; Wu, Yucheng

2017-09-01

Rational design and fabrication of novel electrode materials are of great importance for developing supercapacitors with remarkable capacitance and enhanced cycling stability. In this paper, we present a simple one-pot hydrothermal deposition followed by calcinations process for the in situ construction of homogeneous NiO/MnO2/CeO2 (NMC) nanoflake arrays on Ni foam substrate, which could be directly adopted as the binder-free electrode materials for high performance supercapacitors. The field-emission scanning electron microscopy (FESEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM) and energy-dispersive X-ray spectroscopy (EDX) are carried out to investigate the morphology, microstructure and composition of NMC nanoflake arrays. As-prepared hierarchical NMC nanoflake arrays exhibit the specific capacitance of 1027.8 F g-1 at a current density of 3.1 A g-1 and excellent cycling stability of 97.8% after 5000 charge/discharge cycles. This facile, cost-effective and controllable fabrication route and the robust supercapacitive activity suggest that the ordered NMC nanoflake arrays could be promising candidate electrode materials for high performance electrochemical energy storage devices.

Pure Material Vapor Source by Induction Heating Evaporator for an Electron Cyclotron Resonance Ion Source

NASA Astrophysics Data System (ADS)

Matsui, Y.; Watanabe, T.; Satani, T.; Muramatsu, M.; Tanaka, K.; Kitagawa, A.; Yoshida, Y.; Sato, F.; Kato, Y.; Iida, T.

2008-11-01

Multiply charged iron ions are produced from solid pure material in an electron cyclotron resonance (ECR) ion source. We develop an evaporator by using induction heating with the induction coil which is made from bare molybdenum wire and surrounding the pure iron rod. We optimize the shape of induction heating coil and operation of rf power supply. We conduct experiment to investigate reproducibility and stability in the operation and heating efficiency. Induction heating evaporator produces pure material vapor, because materials directly heated by eddy currents have non-contact with insulated materials which are impurity gas sources. The power and the frequency of the induction currents range from 100 to 900 W and from 48 to 23 kHz, respectively. The working pressure is about 10-4 to 10-3 Pa. We measure temperature of iron rod and film deposition rate by depositing iron vapor to crystal oscillator. We confirm stability and reproducibility of evaporator enough to conduct experiment in ECR ion source. We can obtain required temperature of iron under maximum power of power supply. We are aiming the evaporator higher melting point material than iron.

First example of a modular porphyrinoid assembly capable of stabilizing different metal ions in a single molecular scaffold.

PubMed

Murugavel, Muthuchamy; Reddy, R V Ramana; Dey, Dhananjay; Sankar, Jeyaraman

2015-10-05

We report the synthesis and characterization of porphyrin-corrole-porphyrin (Por-Cor-Por) hybrids directly linked at the meso-meso positions for the first time. The stability and solubility of the trimer are carefully balanced by adding electron-withdrawing substituents to the corrole ring and sterically bulky groups on the porphyrins. The new hybrids are capable of stabilizing more than one metal ion in a single molecular scaffold. The versatility of the triad has been demonstrated by successfully stabilizing homo- (Ni) and heterotrinuclear (Ni-Cu-Ni) coordination motifs. The solid-state structure of the NiPor-CuCor-PorNi hybrid was revealed by single-crystal X-ray diffraction studies. The Ni(II) porphyrins are significantly ruffled and tilted by 83° from the plane of corrole. The robustness of the synthesized hybrids was reflected in the electrochemical investigations and the redox behaviour of the hybrids show that the oxidation processes are mostly corrole-centred. In particular it is worth noting that the Por-Cor-Por hybrid can further be manipulated due to the presence of substituent-free meso-positions on both the terminals. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Production of Aluminum Stabilized Superconducting Cable for the Mu2e Transport Solenoid

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

Lombardo, Vito; Ambrosio, Giorgio; Evbota, Daniel

Here, the Fermilab Mu2e experiment, currently under construction at Fermilab, has the goal of measuring the rare process of direct muon to electron conversion in the field of a nucleus. The experiment features three large superconducting solenoids: the production solenoid (PS), the transport solenoid (TS), and the detector solenoid (DS). The TS is an “S-shaped” solenoid that sits in between the PS and the DS producing a magnetic field ranging between 2.5 and 2.0 T. This paper describes the various steps that led to the successful procurement of over 740 km of superconducting wire and 44 km of Al-stabilized Rutherfordmore » cable needed to build the 52 coils that constitute the Mu2e TS cold mass. The main cable properties and results of electrical and mechanical test campaigns are summarized and discussed. Critical current measurements of the Al-stabilized cables are presented and compared to expected critical current values as measured on extracted strands from the final cables after chemical etching of the aluminum stabilizer. A robust and reliable approach to cable welding is presented, and the effect of cable bending on the transport current is also investigated and presented.« less

Cholesterol-directed nanoparticle assemblies based on single amino acid peptide mutations activate cellular uptake and decrease tumor volume† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc02616a Click here for additional data file.

PubMed Central

Li, Shang; Zou, Rongfeng; Tu, Yaoquan

2017-01-01

Peptide drugs have been difficult to translate into effective therapies due to their low in vivo stability. Here, we report a strategy to develop peptide-based therapeutic nanoparticles by screening a peptide library differing by single-site amino acid mutations of lysine-modified cholesterol. Certain cholesterol-modified peptides are found to promote and stabilize peptide α-helix formation, resulting in selectively cell-permeable peptides. One cholesterol-modified peptide self-assembles into stable nanoparticles with considerable α-helix propensity stabilized by intermolecular van der Waals interactions between inter-peptide cholesterol molecules, and shows 68.3% stability after incubation with serum for 16 h. The nanoparticles in turn interact with cell membrane cholesterols that are disproportionately present in cancer cell membranes, inducing lipid raft-mediated endocytosis and cancer cell death. Our results introduce a strategy to identify peptide nanoparticles that can effectively reduce tumor volumes when administered to in in vivo mice models. Our results also provide a simple platform for developing peptide-based anticancer drugs. PMID:29163910

Production of Aluminum Stabilized Superconducting Cable for the Mu2e Transport Solenoid

DOE PAGES

Lombardo, Vito; Ambrosio, Giorgio; Evbota, Daniel; ...

2018-01-15

Here, the Fermilab Mu2e experiment, currently under construction at Fermilab, has the goal of measuring the rare process of direct muon to electron conversion in the field of a nucleus. The experiment features three large superconducting solenoids: the production solenoid (PS), the transport solenoid (TS), and the detector solenoid (DS). The TS is an “S-shaped” solenoid that sits in between the PS and the DS producing a magnetic field ranging between 2.5 and 2.0 T. This paper describes the various steps that led to the successful procurement of over 740 km of superconducting wire and 44 km of Al-stabilized Rutherfordmore » cable needed to build the 52 coils that constitute the Mu2e TS cold mass. The main cable properties and results of electrical and mechanical test campaigns are summarized and discussed. Critical current measurements of the Al-stabilized cables are presented and compared to expected critical current values as measured on extracted strands from the final cables after chemical etching of the aluminum stabilizer. A robust and reliable approach to cable welding is presented, and the effect of cable bending on the transport current is also investigated and presented.« less

Theoretical simulations of the structural stabilities, elastic, thermodynamic and electronic properties of Pt3Sc and Pt3Y compounds

NASA Astrophysics Data System (ADS)

Boulechfar, R.; Khenioui, Y.; Drablia, S.; Meradji, H.; Abu-Jafar, M.; Omran, S. Bin; Khenata, R.; Ghemid, S.

2018-05-01

Ab-initio calculations based on density functional theory have been performed to study the structural, electronic, thermodynamic and mechanical properties of intermetallic compounds Pt3Sc and Pt3Y using the full-potential linearized augmented plane wave(FP-LAPW) method. The total energy calculations performed for L12, D022 and D024 structures confirm the experimental phase stability. Using the generalized gradient approximation (GGA), the values of enthalpies formation are -1.23 eV/atom and -1.18 eV/atom for Pt3Sc and Pt3Y, respectively. The densities of states (DOS) spectra show the existence of a pseudo-gap at the Fermi level for both compounds which indicate the strong spd hybridization and directing covalent bonding. Furthermore, the density of states at the Fermi level N(EF), the electronic specific heat coefficient (γele) and the number of bonding electrons per atom are predicted in addition to the elastic constants (C11, C12 and C44). The shear modulus (GH), Young's modulus (E), Poisson's ratio (ν), anisotropy factor (A), ratio of B/GH and Cauchy pressure (C12-C44) are also estimated. These parameters show that the Pt3Sc and Pt3Y are ductile compounds. The thermodynamic properties were calculated using the quasi-harmonic Debye model to account for their lattice vibrations. In addition, the influence of the temperature and pressure was analyzed on the heat capacities (Cp and Cv), thermal expansion coefficient (α), Debye temperature (θD) and Grüneisen parameter (γ).

Chemical activation of molecules by metals: Experimental studies of electron distributions and bonding

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

Lichtenberger, D.L.

1991-10-01

The formal relationship between measured molecular ionization energies and thermodynamic bond dissociation energies has been developed into a single equation which unifies the treatment of covalent bonds, ionic bonds, and partially ionic bonds. This relationship has been used to clarify the fundamental thermodynamic information relating to metal-hydrogen, metal-alkyl, and metal-metal bond energies. We have been able to obtain a direct observation and measurement of the stabilization energy provided by the agostic interaction of the C-H bond with the metal. The ionization energies have also been used to correlate the rates of carbonyl substitution reactions of ({eta}{sup 5}-C{sub 5}H{sub 4}X)Rh(CO){sub 2}more » complexes, and to reveal the electronic factors that control the stability of the transition state. The extent that the electronic features of these bonding interactions transfer to other chemical systems is being investigated in terms of the principle of additivity of ligand electronic effects. Specific examples under study include metal- phosphines, metal-halides, and metallocenes. Especially interesting has been the recent application of these techniques to the characterization of the soccer-ball shaped C{sub 60} molecule, buckminsterfullerene, and its interaction with a metal surface. The high-resolution valence ionizations in the gas phase reveal the high symmetry of the molecule, and studies of thin films of C{sub 60} reveal weak intermolecular interactions. Scanning tunneling and atomic force microscopy reveal the arrangement of spherical molecules on gold substrates, with significant delocalization of charge from the metal surface. 21 refs.« less

One-pot solvothermal synthesis of ordered intermetallic Pt{sub 2}In{sub 3} as stable and efficient electrocatalyst towards direct alcohol fuel cell application

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

Jana, Rajkumar; Peter, Sebastian C., E-mail: sebastiancp@jncasr.ac.in

Ordered intermetallic Pt{sub 2}In{sub 3} nanoparticles have been synthesized by superhydride reduction of K{sub 2}PtCl{sub 4} and InCl{sub 3}.xH{sub 2}O precursors using facile, one-pot solvothermal method. We report surfactant free solvothermal synthesis of a novel ordered Pt{sub 2}In{sub 3} intermetallic nanoparticles for the first time. The structure and morphology of the catalyst has been confirmed by powder X-ray diffraction, transmission electron microscopy, field emission scanning electron microscopy, energy-dispersive spectrometry and X-ray photoelectron spectroscopy. The electrocatalytic properties of the catalysts have been investigated by cyclic voltammetry and chronoamperometry. The as prepared Pt{sub 2}In{sub 3} catalyst exhibit far superior electrocatalytic activity andmore » stability towards alcohol oxidation over commercial Pt/C. The specific activity of as synthesized catalyst was found to be ~3.2 and ~2.3 times higher than commercial Pt/C for methanol and ethanol oxidation, respectively. This improved activity and durability of the Pt{sub 2}In{sub 3} nanoparticles can make the catalyst an ideal catalyst candidate for direct alcohol fuel cell. - Graphical abstract: The ordered structure of Pt{sub 2}In{sub 3} nanoparticles synthesized by solvothermal method has confirmed through XRD and TEM. Cyclic voltametry and chronoamperometry showed improved catalytic activity and stability compared to commercial Pt/C. - Highlights: • Ordered Pt{sub 2}In{sub 3} nanoparticles were synthesized by solvothermal method. • Electrooxidation of alcohols on Pt{sub 2}In{sub 3} catalyst was investigated in acidic medium. • Pt{sub 2}In{sub 3} catalyst has superior catalytic activity compared to commercial Pt/C. • Pt{sub 2}In{sub 3} catalyst exhibited much higher stability than commercial Pt/C.« less

ION-STABILIZED ELECTRON INDUCTION ACCELERATOR

DOEpatents

Finkelstein, D.

1960-03-22

A method and apparatus for establishing an ion-stabilized self-focusing relativistic electron beam from a plasma are reported. A plasma is introduced into a specially designed cavity by plasma guns, and a magnetic field satisfying betatron conditions is produced in the cavity by currents flowing in the highly conductive, non-magnetic surface of the cavity. This field forms the electron beam by induction from the plasma.

Aqueous synthesis of highly luminescent AgInS2-ZnS quantum dots and their biological applications

NASA Astrophysics Data System (ADS)

Regulacio, Michelle D.; Win, Khin Yin; Lo, Seong Loong; Zhang, Shuang-Yuan; Zhang, Xinhai; Wang, Shu; Han, Ming-Yong; Zheng, Yuangang

2013-02-01

Highly emissive and air-stable AgInS2-ZnS quantum dots (ZAIS QDs) with quantum yields of up to 20% have been successfully synthesized directly in aqueous media in the presence of polyacrylic acid (PAA) and mercaptoacetic acid (MAA) as stabilizing and reactivity-controlling agents. The as-prepared water-dispersible ZAIS QDs are around 3 nm in size, possess the tetragonal chalcopyrite crystal structure, and exhibit long fluorescence lifetimes (>100 ns). In addition, these ZAIS QDs are found to exhibit excellent optical and colloidal stability in physiologically relevant pH values as well as very low cytotoxicity, which render them particularly suitable for biological applications. Their potential use in biological labelling of baculoviral vectors is demonstrated.Highly emissive and air-stable AgInS2-ZnS quantum dots (ZAIS QDs) with quantum yields of up to 20% have been successfully synthesized directly in aqueous media in the presence of polyacrylic acid (PAA) and mercaptoacetic acid (MAA) as stabilizing and reactivity-controlling agents. The as-prepared water-dispersible ZAIS QDs are around 3 nm in size, possess the tetragonal chalcopyrite crystal structure, and exhibit long fluorescence lifetimes (>100 ns). In addition, these ZAIS QDs are found to exhibit excellent optical and colloidal stability in physiologically relevant pH values as well as very low cytotoxicity, which render them particularly suitable for biological applications. Their potential use in biological labelling of baculoviral vectors is demonstrated. Electronic supplementary information (ESI) available: Quantum yields, EDX spectrum and photoluminescence decay curves. See DOI: 10.1039/c3nr34159c

Enhanced Photoreduction of Nitro-aromatic Compounds by Hydrated Electrons Derived from Indole on Natural Montmorillonite.

PubMed

Tian, Haoting; Guo, Yong; Pan, Bo; Gu, Cheng; Li, Hui; Boyd, Stephen A

2015-07-07

A new photoreduction pathway for nitro-aromatic compounds (NACs) and the underlying degradation mechanism are described. 1,3-Dinitrobenzene was reduced to 3-nitroaniline by the widely distributed aromatic molecule indole; the reaction is facilitated by montmorillonite clay mineral under both simulated and natural sunlight irradiation. The novel chemical reaction is strongly affected by the type of exchangeable cation present on montmorillonite. The photoreduction reaction is initiated by the adsorption of 1,3-dinitrobenzene and indole in clay interlayers. Under light irradiation, the excited indole molecule generates a hydrated electron and the indole radical cation. The structural negative charge of montmorillonite plausibly stabilizes the radical cation hence preventing charge recombination. This promotes the release of reactive hydrated electrons for further reductive reactions. Similar results were observed for the photoreduction of nitrobenzene. In situ irradiation time-resolved electron paramagnetic resonance and Fourier transform infrared spectroscopies provided direct evidence for the generation of hydrated electrons and the indole radical cations, which supported the proposed degradation mechanism. In the photoreduction process, the role of clay mineral is to both enhance the generation of hydrated electrons and to provide a constrained reaction environment in the galley regions, which increases the probability of contact between NACs and hydrated electrons.

Electron self-injection in the donut bubble wakefield

NASA Astrophysics Data System (ADS)

Firouzjaei, Ali Shekari; Shokri, Babak

2018-05-01

We investigate electron self-injection in a donut bubble wakefield driven by a Laguerre-Gauss laser pulse. The present work discusses the electron capture by modeling the analytical donut bubble field. We discuss the self-injection of the electrons from plasma for various initial conditions and then compare the results. We show that the donut bubble can trap plasma electrons forming a hollow beam. We present the phase spaces and longitudinal momentum evolution for the trapped electrons in the bubble and discuss their characteristic behaviors and stability. It will be shown that the electrons self-injected in the front are ideal for applications in which a good stability and low energy spread are essential.

Stability and electronic properties of low-dimensional nanostructures

NASA Astrophysics Data System (ADS)

Guan, Jie

As the devices used in daily life become smaller and more concentrated, traditional three-dimensional (3D) bulk materials have reached their limit in size. Low-dimensional nanomaterials have been attracting more attention in research and getting widely applied in many industrial fields because of their atomic-level size, unique advanced properties, and varied nanostructures. In this thesis, I have studied the stability and mechanical and electronic properties of zero-dimensional (0D) structures including carbon fullerenes, nanotori, metallofullerenes and phosphorus fullerenes, one-dimensional (1D) structures including carbon nanotubes and phosphorus nanotubes, as well as two-dimensional (2D) structures including layered transition metal dichalcogenides (TMDs), phosphorene and phosphorus carbide (PC). I first briefly introduce the scientific background and the motivation of all the work in this thesis. Then the computational techniques, mainly density functional theory (DFT), are reviewed in Chapter 2. In Chapter 3, I investigate the stability and electronic structure of endohedral rare-earth metallofullerene La C60 and the trifluoromethylized La C60(CF3)n with n ≤ 5. Odd n is preferred due to the closed-shell electronic configuration or large HOMO-LUMO gap, which is also meaningful for the separation of C 60-based metallofullerenes. Mechanical and electronic properties of layered materials including TMDs and black phosphorus are studied in Chapter 4 and 5. In Chapter 4, a metallic NbSe2/semiconducting WSe2 bilayer is investigated and besides a rigid band shift associated with charge transfer, the presence of NbSe2 does not modify the electronic structure of WSe2. Structural similarity and small lattice mismatch results in the heterojunction being capable of efficiently transferring charge acrossthe interface. In Chapter 5, I investigate the dependence of stability and electronic band structure on the in-layer strain in bulk black phosphorus. In Chapters 6, 7 and 8, novel 2D structures are predicted theoretically. In Chapter 6, I propose two new stable structural phases of layered phosphorus besides the layered alpha-P (black) and beta-P (blue) phosphorus allotropes. A metal-insulator transition caused by inlayer strain or changing the number of layers is found in the new gamma-P phase. An unforeseen benefit is the possibility to connect different structural phases at no energy cost, which further leads to a paradigm of constructing very stable, faceted phosphorus nanotube and fullerene structures by laterally joining nanoribbons or patches of different planar phosphorene phases, which is discussed in Chapter 7. In Chapter 8, I propose previously unknown allotropes of PC in the stable shape of an atomically thin layer. Different stable geometries, which result from the competition between sp2 bonding found in graphitic C and sp3 bonding found in black P, display different electronic properties including metallic, semi-metallic with an anisotropic Dirac cone, and direct-gap semiconductors with their gap tunable by in-layer strain. In Chapter 9, I propose a fast method to determine the local curvature in 2D systems with arbitrary shape. The curvature information, combined with elastic constants obtained for a planar system, provides an accurate estimate of the local stability in the framework of continuum elasticity theory. This approach can be applied to all 2D structures. Finally, I present general conclusions from the PhD Thesis work in Chapter 10.

Toward Environmentally Robust Organic Electronics: Approaches and Applications.

PubMed

Lee, Eun Kwang; Lee, Moo Yeol; Park, Cheol Hee; Lee, Hae Rang; Oh, Joon Hak

2017-11-01

Recent interest in flexible electronics has led to a paradigm shift in consumer electronics, and the emergent development of stretchable and wearable electronics is opening a new spectrum of ubiquitous applications for electronics. Organic electronic materials, such as π-conjugated small molecules and polymers, are highly suitable for use in low-cost wearable electronic devices, and their charge-carrier mobilities have now exceeded that of amorphous silicon. However, their commercialization is minimal, mainly because of weaknesses in terms of operational stability, long-term stability under ambient conditions, and chemical stability related to fabrication processes. Recently, however, many attempts have been made to overcome such instabilities of organic electronic materials. Here, an overview is provided of the strategies developed for environmentally robust organic electronics to overcome the detrimental effects of various critical factors such as oxygen, water, chemicals, heat, and light. Additionally, molecular design approaches to π-conjugated small molecules and polymers that are highly stable under ambient and harsh conditions are explored; such materials will circumvent the need for encapsulation and provide a greater degree of freedom using simple solution-based device-fabrication techniques. Applications that are made possible through these strategies are highlighted. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Effects of Isolated and Integrated ‘Core Stability’ Training on Athletic Performance Measures

PubMed Central

Reed, Casey A.; Ford, Kevin R.; Myer, Gregory D.; Hewett, Timothy E.

2014-01-01

Background Core stability training, operationally defined as training focused to improve trunk and hip control, is an integral part of athletic development, yet little is known about its direct relation to athletic performance. Objective This systematic review focuses on identification of the association between core stability and sports-related performance measures. A secondary objective was to identify difficulties encountered when trying to train core stability with the goal of improving athletic performance. Data sources A systematic search was employed to capture all articles related to athletic performance and core stability training that were identified using the electronic databases MEDLINE, CINAHL and SPORTDiscus™ (1982-June2011). Study selection A systematic approach was used to evaluate 179 articles identified for initial review. Studies that performed an intervention targeted toward the core and measured an outcome related to athletic or sport performances were included, while studies with a participant population aged 65 years or older were excluded. Twenty-four in total met the inclusionary criteria for review. Study appraisal and synthesis methods Studies were evaluated using the Physical Therapy Evidence Database (PEDro) scale. The 24 articles were separated into three groups, general performance (n = 8), lower extremity (n = 10) and upper extremity (n = 6), for ease of discussion. Results In the majority of studies, core stability training was utilized in conjunction with more comprehensive exercise programmes. As such, many studies saw improvements in skills of general strengths such as maximum squat load and vertical leap. Surprisingly, not all studies reported measurable increases in specific core strength and stability measures following training. Additionally, investigations that targeted the core as the primary goal for improved outcome of training had mixed results. Limitations Core stability is rarely the sole component of an athletic development programme, making it difficult to directly isolate its affect on athletic performance. The population biases of some studies of athletic performance also confound the results. Conclusions Targeted core stability training provides marginal benefits to athletic performance. Conflicting findings and the lack of a standardization for measurement of outcomes and training focused to improve core strength and stability pose difficulties. Because of this, further research targeted to determine this relationship is necessary to better understand how core strength and stability affect athletic performance. PMID:22784233

Equilibrium properties of simple metal thin films in the self-compressed stabilized jellium model.

PubMed

Mahmoodi, T; Payami, M

2009-07-01

In this work, we have applied the self-compressed stabilized jellium model to predict the equilibrium properties of isolated thin Al, Na and Cs slabs. To make a direct correspondence to atomic slabs, we have considered only those L values that correspond to n-layered atomic slabs with 2≤n≤20, for surface indices (100), (110), and (111). The calculations are based on the density functional theory and self-consistent solution of the Kohn-Sham equations in the local density approximation. Our results show that firstly, the quantum size effects are significant for slabs with sizes smaller than or near to the Fermi wavelength of the valence electrons λ(F), and secondly, some slabs expand while others contract with respect to the bulk spacings. Based on the results, we propose a criterion for realization of significant quantum size effects that lead to expansion of some thin slabs. For more justification of the criterion, we have tested it on Li slabs for 2≤n≤6. We have compared our Al results with those obtained from using all-electron or pseudo-potential first-principles calculations. This comparison shows excellent agreements for Al(100) work functions, and qualitatively good agreements for the other work functions and surface energies. These agreements justify the way we have used the self-compressed stabilized jellium model for the correct description of the properties of simple metal slab systems. On the other hand, our results for the work functions and surface energies of large- n slabs are in good agreement with those obtained from applying the stabilized jellium model for semi-infinite systems. In addition, we have performed the slab calculations in the presence of surface corrugation for selected Al slabs and have shown that the results are worsened.

The marriage of peripherally metallated and directly linked porphyrins: bromidobis(phosphine)platinum(II) as a cation-stabilizing substituent on directly linked and fused triply linked diporphyrins.

PubMed

Hartnell, Regan D; Yoneda, Tomoki; Mori, Hirotaka; Osuka, Atsuhiro; Arnold, Dennis P

2013-11-01

A meso-bromidoplatiniobis(triphenylphosphine) η(1)-organometallic porphyrin monomer was prepared by the oxidative addition of meso-bromoZnDPP (DPP=dianion of 5,15-diphenylporphyrin) to a platinum(0) species. The meso-meso directly linked dimeric porphyrin (5) was prepared from this monomer by silver(I)-promoted oxidative coupling and planarized to give a triply linked dizinc(II) porphyrin dimer (8). Acidic demetallation of 8 afforded the bis(free base) 9. Dimer 5 was demetallated then remetallated with nickel(II) to give the dinickel(II) analogue 10, the X-ray crystal structure of which showed a twisted molecule with ruffled, orthogonal NiDPP rings, terminated by square-planar trans-[Pt(PPh3)2Br] units. New compounds were fully characterized spectroscopically, and the fused diporphyrin exhibited a broad, low-energy, near-IR electronic absorption band near 1100 nm. Electrochemical measurements of this series indicate that the organometallic fragment is a strong electron donor towards the porphyrin ring. The triply linked organometallic diporphyrin has a substantially lowered first one-electron oxidation potential (-0.35 V versus the ferrocene/ferrocenium couple (Fc/Fc(+))) and a narrow HOMO-LUMO gap of 0.96 V. Solutions prepared for NMR spectroscopy slowly decompose with degradation of the signals, which is attributed to partial oxidation to the cation radical. This paramagnetic species can be reduced in situ by hydrazine to restore the NMR spectrum to its former appearance. The combined influence of the two [Pt(PPh3)2Br] electron-donating substituents is sufficient to make dimer too aerobically unstable to allow further elaboration. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Quantum Mechanical Approach to Understanding Structural, Electronic and Mechanical Properties of Intermetallics

DTIC Science & Technology

1989-01-26

Understanding Structural , Electronic and Mechanical Properties of Tntermetallics by A.J. Freeman, Principal Investigator ABSTRACT The primary goal of...like LI or Mg would lower EF into the minimum in the DOS and hence stabilize the L1 2 . A. Structural Phase Stability of Titanium Aluminides Most...34 Structural Stability Calculations in the Titanium -Aluminium System", Conf. on Titanium Aluminides , Wright-Patterson Air Force Base, Nov. 1986

Controllable synthesis and electrochemical hydrogen storage properties of Sb₂Se₃ ultralong nanobelts with urchin-like structures.

PubMed

Jin, Rencheng; Chen, Gang; Pei, Jian; Sun, Jingxue; Wang, Yang

2011-09-01

The controlled synthesis of one-dimensional and three-dimensional Sb(2)Se(3) nanostructures has been achieved by a facile solvothermal process in the presence of citric acid. By simply controlling the concentration of citric acid, the nucleation, growth direction and exposed facet can be readily tuned, which brings the different morphologies and nanostructures to the final products. The as-prepared products have been characterized by means of X-ray diffraction, field-emission scanning electron microscopy, transmission electron microscopy (TEM), high-resolution TEM and selected area electron diffraction. Based on the electron microscope observations, a possible growth mechanism of Sb(2)Se(3) with distinctive morphologies including ultralong nanobelts, hierarchical urchin-like nanostructures is proposed and discussed in detail. The electrochemical hydrogen storage measurements reveal that the morphology plays a key role on the hydrogen storage capacity of Sb(2)Se(3) nanostructures. The Sb(2)Se(3) ultralong nanobelts with high percentage of {-111} facets exhibit higher hydrogen storage capacity (228.5 mA h g(-1)) and better cycle stability at room temperature.

Parametric decay of current-driven Langmuir oscillations and wave packet formation in plateau plasmas: Relevance to type III bursts

NASA Astrophysics Data System (ADS)

Sauer, K.; Malaspina, D.; Pulupa, M.

2016-12-01

Instead of starting with an unstable electron beam, our focus is directed on the nonlinear response of Langmuir oscillations which are driven after beam stabilization by the still persisting current of the (stable) two-electron plasma. The velocity distribution function of the second population forms a plateau with weak damping over a more or less extended wave number range k. As shown by PIC simulations, this so-called plateau plasma drives primarily Langmuir oscillations at the plasma frequency ωe with k=0 over long times without remarkable change of the distribution function. The Langmuir oscillations, however, act as pump wave for parametric decay by which an electron-acoustic wave slightly below ωe and a counter-streaming ion-acoustic wave are generated. Both high-frequency waves have nearly the same amplitude which is simply given by the product of plateau density and velocity. Beating of these two wave types leads to pronounced Langmuir amplitude modulation, in good agreement with solar wind and foreshock WIND observations where waveforms and electron distribution functions have simultaneously been analyzed.

Design Two-dimensional Materials with Superb Electronic and Optoelectronic Properties: The case of SiS

NASA Astrophysics Data System (ADS)

Wei, Su-Huai; Yang, Ji-Hui; Zhang, Yueyu; Yin, Wan-Jian; Gong, X. G.; Yakobson, Boris I.

Two-dimensional (2D) semiconductors have many unique electronic and optoelectronic properties that is suitable for novel device applications. Most of the current study are focused on group IV or transition metal chalcogenides. In this study, using atomic transmutation and global optimization methods, we identified two group IV-VI 2D materials, Pma2-SiS and silicene sulfide that can overcome shortcomings encountered in conventional 2D semiconducttord. Pma2-SiS is found to be both chemically, energetically, and thermally stable. Most importantly, Pma2-SiS has unique electronic and optoelectronic properties, including direct bandgaps suitable for solar cells, good mobility for nanoelectronics, good flexibility of property tuning by layer thickness and strain appliance, and good air stability as well. Therefore, Pma2-SiS is expected to be a very promising 2D material in the field of 2D electronics and optoelectronics. Silicene sulfide also shows similar properties. We believe that the designing principles and approaches used to identify these materials have great potential to accelerate future finding of new functional materials within the 2D families.

Spectral, thermal and optical-electrical properties of the layer-by-layer deposited thin film of nano Zn(II)-8-hydroxy-5-nitrosoquinolate complex.

PubMed

Haggag, Sawsan M S; Farag, A A M; Abdelrafea, Mohamed

2013-06-01

Zinc(II)-8-hydroxy-5-nitrosoquinolate, [Zn(II)-(HNOQ)2], was synthesized and assembled as a deposited thin film of nano-metal complex by a rapid, direct, simple and efficient procedure based on layer-by-layer chemical deposition technique. Stoichiometric identification and structural characterization of [Zn(II)-(HNOQ)2] were confirmed by electron impact mass spectrometry (EI-MS) and Fourier Transform infrared spectroscopy (FT-IR). Surface morphology was studied by using a scanning electron microscope imaging (SEM) and the particle size was found to be in the range of 23-49 nm. Thermal stability of [Zn(II)-(HNOQ)2] was studied and the thermal parameters were evaluated using thermal gravimetric analysis (TGA). The current density-voltage measurements showed that the current flow is dominated by a space charge limited and influenced by traps under high bias. The optical properties of [Zn(II)-(HNOQ)2] thin films were found to exhibit two direct allowed transitions at 2.4 and 1.0 eV, respectively. Copyright © 2013 Elsevier B.V. All rights reserved.

One-pot solvothermal synthesis of ordered intermetallic Pt2In3 as stable and efficient electrocatalyst towards direct alcohol fuel cell application

NASA Astrophysics Data System (ADS)

Jana, Rajkumar; Peter, Sebastian C.

2016-10-01

Ordered intermetallic Pt2In3 nanoparticles have been synthesized by superhydride reduction of K2PtCl4 and InCl3.xH2O precursors using facile, one-pot solvothermal method. We report surfactant free solvothermal synthesis of a novel ordered Pt2In3 intermetallic nanoparticles for the first time. The structure and morphology of the catalyst has been confirmed by powder X-ray diffraction, transmission electron microscopy, field emission scanning electron microscopy, energy-dispersive spectrometry and X-ray photoelectron spectroscopy. The electrocatalytic properties of the catalysts have been investigated by cyclic voltammetry and chronoamperometry. The as prepared Pt2In3 catalyst exhibit far superior electrocatalytic activity and stability towards alcohol oxidation over commercial Pt/C. The specific activity of as synthesized catalyst was found to be 3.2 and 2.3 times higher than commercial Pt/C for methanol and ethanol oxidation, respectively. This improved activity and durability of the Pt2In3 nanoparticles can make the catalyst an ideal catalyst candidate for direct alcohol fuel cell.

Stabilization of lower hybrid drift modes by finite parallel wavenumber and electron temperature gradients in field-reversed configurations

NASA Astrophysics Data System (ADS)

Farengo, R.; Guzdar, P. N.; Lee, Y. C.

1989-08-01

The effect of finite parallel wavenumber and electron temperature gradients on the lower hybrid drift instability is studied in the parameter regime corresponding to the TRX-2 device [Fusion Technol. 9, 48 (1986)]. Perturbations in the electrostatic potential and all three components of the vector potential are considered and finite beta electron orbit modifications are included. The electron temperature gradient decreases the growth rate of the instability but, for kz=0, unstable modes exist for ηe(=T'en0/Ten0)>6. Since finite kz effects completely stabilize the mode at small values of kz/ky(≂5×10-3), magnetic shear could be responsible for stabilizing the lower hybrid drift instability in field-reversed configurations.

Electronic differential control of 2WD electric vehicle considering steering stability

NASA Astrophysics Data System (ADS)

Hua, Yiding; Jiang, Haobin; Geng, Guoqing

2017-03-01

Aiming at the steering wheel differential steering control technology of rear wheel independent driving electric wheel, considering the assisting effect of electronic differential control on vehicle steering, based on the high speed steering characteristic of electric wheel car, the electronic differential speed of auxiliary wheel steering is also studied. A yaw moment control strategy is applied to the vehicle at high speed. Based on the vehicle stability reference value, yaw rate is used to design the fuzzy controller to distribute the driving wheel torque. The simulation results show that the basic electronic differential speed function is realized based on the yaw moment control strategy, while the vehicle stability control is improved and the driving safety is enhanced. On the other hand, the torque control strategy can also assist steering of vehicle.

Co-simulation of heavy truck tire dynamics and electronic stability control systems (phase B).

DOT National Transportation Integrated Search

2010-07-01

In the past decade, electronic stability controls (ESC) have become increasingly common on vehicles operating in the United States. The acceptance of this technology has progressed to the point where all new passenger vehicles sold in the US are requ...

Direct carrier-envelope phase control of an amplified laser system.

PubMed

Balčiūnas, Tadas; Flöry, Tobias; Baltuška, Andrius; Stanislauskas, Tomas; Antipenkov, Roman; Varanavičius, Arūnas; Steinmeyer, Günter

2014-03-15

Direct carrier-envelope phase stabilization of an Yb:KGW MOPA laser system is demonstrated with a residual phase jitter reduced to below 100 mrad, which compares favorably with previous stabilization reports, both of amplified laser systems as well as of ytterbium-based oscillators. This novel stabilization scheme relies on a frequency synthesis scheme and a feed-forward approach. The direct stabilization of a sub-MHz frequency comb from a CPA amplifier not only reduces the phase noise but also greatly simplifies the stabilization setup.

Future direction of direct writing

NASA Astrophysics Data System (ADS)

Kim, Nam-Soo; Han, Kenneth N.

2010-11-01

Direct write technology using special inks consisting of finely dispersed metal nanoparticles in liquid is receiving an undivided attention in recent years for its wide range of applicability in modern electronic industry. The application of this technology covers radio frequency identification-tag (RFID-tag), flexible-electronics, organic light emitting diodes (OLED) display, e-paper, antenna, bumpers used in flip-chip, underfilling, frit, miniresistance applications and biological uses, artificial dental applications and many more. In this paper, the authors have reviewed various direct write technologies on the market and discussed their advantages and shortfalls. Emphasis has given on microdispensing deposition write (MDDW), maskless mesoscale materials deposition (M3D), and ink-jet technologies. All of these technologies allow printing various patterns without employing a mask or a resist with an enhanced speed with the aid of computer. MDDW and M3D are capable of drawing patterns in three-dimension and MDDW, in particular, is capable of writing nanoinks with high viscosity. However, it is still far away for direct write to be fully implemented in the commercial arena. One of the hurdles to overcome is in manufacturing conductive inks which are chemically and physically stable, capable of drawing patterns with acceptable conductivity, and also capable of drawing patterns with acceptable adhesiveness with the substrates. The authors have briefly discussed problems involved in manufacturing nanometal inks to be used in various writing devices. There are numerous factors to be considered in manufacturing such inks. They are reducing agents, concentrations, oxidation, compact ability allowing good conductivity, and stability in suspension.

Improved Charge Transfer in a Mn2O3@Co1.2Ni1.8O4 Hybrid for Highly Stable Alkaline Direct Methanol Fuel Cells with Good Methanol Tolerance.

PubMed

Liu, Yan; Chen, Yuanzhen; Li, Sai; Shu, Chenyong; Fang, Yuan; Song, Bo

2018-03-21

A three-dimensional Mn 2 O 3 @Co 1.2 Ni 1.8 O 4 hybrid was synthesized via facile two-step processes and employed as a cathode catalyst in direct methanol fuel cells (DMFCs) for the first time. Because of the unique architecture with ultrathin and porous nanosheets of the Co 1.2 Ni 1.8 O 4 shell, this composite exhibits better electrochemical performance than the pristine Mn 2 O 3 . Remarkably, it shows excellent methanol tolerance, even in a high concentration solution. The DMFC was assembled with Mn 2 O 3 @Co 1.2 Ni 1.8 O 4 , polymer fiber membranes, and PtRu/C as the cathode, membrane, and anode, respectively. The power densities of 57.5 and 70.5 mW cm -2 were recorded at 18 and 28 °C, respectively, especially the former is the best result reported in the literature at such a low temperature. The stability of the Mn 2 O 3 @Co 1.2 Ni 1.8 O 4 catalyzed cathode was evaluated, and the results show that this compound possesses excellent stability in a high methanol concentration. The improved electrochemical activity could be attributed to the narrow band gap of the hybrid, which accelerates the electrons jumping from the valence band to the conduction band. Therefore, Mn III could be oxidized into Mn IV more easily, simultaneously providing an electron to the absorbed oxygen.

When Is Ligand p Ka a Good Descriptor for Catalyst Energetics? In Search of Optimal CO2 Hydration Catalysts.

PubMed

Kim, Jeong Yun; Kulik, Heather J

2018-05-10

We present a detailed study of nearly 70 Zn molecular catalysts for CO 2 hydration from four diverse ligand classes ranging from well-studied carbonic anhydrase mimics (e.g., cyclen) to new structures we obtain by leveraging diverse hits from large organic libraries. Using microkinetic analysis and establishing linear free energy relationships, we confirm that turnover is sensitive to the relative thermodynamic stability of reactive hydroxyl and bound bicarbonate moieties. We observe a wide range of thermodynamic stabilities for these intermediates, showing up to 6 kcal/mol improvement over well-studied cyclen catalysts. We observe a good correlation between the p K a of the Zn-OH 2 moiety and the resulting relative stability of hydroxyl moieties over bicarbonate, which may be rationalized by the dominant effect of the difference in higher Zn-OH bond order in comparison to weaker bonding in bicarbonate and water. A direct relationship is identified between isolated organic ligand p K a and the p K a of a bound water molecule on the catalyst. Thus, organic ligand p K a , which is intuitive, easy to compute or tabulate, and much less sensitive to electronic structure method choice than whole-catalyst properties, is a good quantitative descriptor for predicting the effect of through-bond electronic effects on relative CO 2 hydration energetics. We expect this to be applicable to other reactions where is it essential to stabilize turnover-determining hydroxyl species with respect to more weakly bound moieties. Finally, we note exceptions for rigid ligands (e.g., porphyrins) that are observed to preferentially stabilize hydroxyl over bicarbonate without reducing p K a values as substantially. We expect the strategy outlined here, to (i) curate diverse ligands from large organic libraries and (ii) identify when ligand-only properties can determine catalyst energetics, to be broadly useful for both experimental and computational catalyst design.

Electronic and optical properties of novel carbon allotropes

DOE PAGES

Wang, Zhanyu; Dong, F.; Shen, B.; ...

2016-01-22

The vibrational properties, electronic structures and optical properties of novel carbon allotropes, such as monolayer penta-graphene (PG), double-layer PG and T12-carbon, were studied by first-principles calculations. Results of phonon calculations demonstrate that these exotic carbon allotropes are dynamically stable. The bulk T12 phase is an indirect-gap semiconductor having a quasiparticle (QP) bandgap of ~5.19 eV. When the bulk material transforms to a two-dimensional (2D) phase, the monolayer and double-layer PG become quasi-direct gap semiconductors with smaller QP bandgaps of ~4.48 eV and ~3.67 eV, respectively. Furthermore, the partial charge density analysis indicates that the 2D phases retain part of themore » electronic characteristics of the T12 phase. The linear photon energy-dependent dielectric functions and related optical properties including refractive index, extinction coefficient, absorption spectrum, reflectivity, and energy-loss spectrum were also computed and discussed. Additionally, the chemical stability of monolayer PG and the electronic and optical properties of double-side hydrogenated monolayer PG were also investigated. Furthermore, the results obtained from our calculations are beneficial to practical applications of these exotic carbon allotropes in optoelectronics and electronics.« less

Effects of finite electron temperature on gradient drift instabilities in partially magnetized plasmas

NASA Astrophysics Data System (ADS)

Lakhin, V. P.; Ilgisonis, V. I.; Smolyakov, A. I.; Sorokina, E. A.; Marusov, N. A.

2018-01-01

The gradient-drift instabilities of partially magnetized plasmas in plasma devices with crossed electric and magnetic fields are investigated in the framework of the two-fluid model with finite electron temperature in an inhomogeneous magnetic field. The finite electron Larmor radius (FLR) effects are also included via the gyroviscosity tensor taking into account the magnetic field gradient. This model correctly describes the electron dynamics for k⊥ρe>1 in the sense of Padé approximants (here, k⊥ and ρe are the wavenumber perpendicular to the magnetic field and the electron Larmor radius, respectively). The local dispersion relation for electrostatic plasma perturbations with the frequency in the range between the ion and electron cyclotron frequencies and propagating strictly perpendicular to the magnetic field is derived. The dispersion relation includes the effects of the equilibrium E ×B electron current, finite ion velocity, electron inertia, electron FLR, magnetic field gradients, and Debye length effects. The necessary and sufficient condition of stability is derived, and the stability boundary is found. It is shown that, in general, the electron inertia and FLR effects stabilize the short-wavelength perturbations. In some cases, such effects completely suppress the high-frequency short-wavelength modes so that only the long-wavelength low-frequency (with respect to the lower-hybrid frequency) modes remain unstable.

Effect of the structure of imidazolium cations in [BF4](-)-type ionic liquids on direct electrochemistry and electrocatalysis of horseradish peroxidase in Nafion films.

PubMed

Lu, Lu; Huang, Xirong; Qu, Yinbo

2011-10-01

The direct electrochemistry and bioelectrocatalysis of horseradish peroxidase (HRP) in Nafion films at glassy carbon electrode (GCE) was investigated in three [BF(4)](-)-type room-temperature ionic liquids (ILs) to understand the structural effect of imidazolium cations. The three ILs are 1-ethyl-3-methylimidazolium tetrafluoroborate ([Emim][BF(4)]), 1-butyl-3-methylimidazolium tetrafluoroborate ([Bmim][BF(4)]) and 1-hexyl-3-methylimidazolium tetrafluoroborate ([Hmim][BF(4)]). A small amount of water in the three ILs is indispensable for maintaining the electrochemical activity of HRP in Nafion films, and the optimum water contents decrease with the increase of alkyl chain length on imidazole ring. Analysis shows that the optimum water contents are primarily determined by the hydrophilicity of ILs used. In contrast to aqueous medium, ILs media facilitate the direct electron transfer of HRP, and the electrochemical parameters obtained in different ILs are obviously related to the nature of ILs. The direct electron transfer between HRP and GCE is a surface-confined quasi-reversible single electron transfer process. The apparent heterogeneous electron transfer rate constant decreases gradually with the increase of alkyl chain length on imidazole ring, but the changing extent is relatively small. The electrocatalytic reduction current of H(2)O(2) at the present electrode decreases obviously with the increase of alkyl chain length, and the mass transfer of H(2)O(2) via diffusion in ILs should be responsible for the change. In addition, the modified electrode has good stability and reproducibility; the ability to tolerate high levels of F(-) has been greatly enhanced due to the use of Nafion film. When an appropriate mediator is included in the sensing layer, a sensitive nonaqueous biosensor could be fabricated. Copyright © 2011 Elsevier B.V. All rights reserved.

Single-walled carbon nanotubes/polymer composite electrodes patterned directly from solution.

PubMed

Chang, Jingbo; Najeeb, Choolakadavil Khalid; Lee, Jae-Hyeok; Kim, Jae-Ho

2011-06-07

This work describes a simple technique for direct patterning of single-walled carbon nanotube (SWNT)/poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT-PSS) composite electrodes in a large area on a substrate based on the solution transfer process by microcontact printing using poly(dimethylsiloxane) (PDMS) stamps. Various shapes of SWNT/PEDOT-PSS composite patterns, such as line, circle, and square, can be easily fabricated with high pattern fidelity and structural integrity. The single parallel line pattern device exhibits high electrical conductivity (0.75 × 10(5) S/m) and electronic stability because of alignment of nanotubes and big-size SWNT bundles (∼5 nm). The electromechanical study reveals that the composite patterns show ∼1% resistance change along SWNT alignment direction and ∼5% resistance change along vertical alignment direction after 200 bend cycles. Our approach provides a facile, low-cost method to pattern transparent conductive SWNT/polymer composite electrodes and demonstrates a novel platform for future integration of conducting SWNT/polymer composite patterns for optoelectronic applications.

Image motion compensation by area correlation and centroid tracking of solar surface features

NASA Technical Reports Server (NTRS)

Nein, M. E.; Mcintosh, W. R.; Cumings, N. P.

1983-01-01

An experimental solar correlation tracker was tested and evaluated on a ground-based solar magnetograph. Using sunspots as fixed targets, tracking error signals were derived by which the telescope image was stabilized against wind induced perturbations. Two methods of stabilization were investigated; mechanical stabilization of the image by controlled two-axes motion of an active optical element in the telescope beam, and electronic stabilization by biasing of the electron scan in the recording camera. Both approaches have demonstrated telescope stability of about 0.6 arc sec under random perturbations which can cause the unstabilized image to move up to 120 arc sec at frequencies up to 30 Hz.

Atom exchange between aqueous Fe(II) and structural Fe in clay minerals.

PubMed

Neumann, Anke; Wu, Lingling; Li, Weiqiang; Beard, Brian L; Johnson, Clark M; Rosso, Kevin M; Frierdich, Andrew J; Scherer, Michelle M

2015-03-03

Due to their stability toward reductive dissolution, Fe-bearing clay minerals are viewed as a renewable source of Fe redox activity in diverse environments. Recent findings of interfacial electron transfer between aqueous Fe(II) and structural Fe in clay minerals and electron conduction in octahedral sheets of nontronite, however, raise the question whether Fe interaction with clay minerals is more dynamic than previously thought. Here, we use an enriched isotope tracer approach to simultaneously trace Fe atom movement from the aqueous phase to the solid ((57)Fe) and from the solid into the aqueous phase ((56)Fe). Over 6 months, we observed a significant decrease in aqueous (57)Fe isotope fraction, with a fast initial decrease which slowed after 3 days and stabilized after about 50 days. For the aqueous (56)Fe isotope fraction, we observed a similar but opposite trend, indicating that Fe atom movement had occurred in both directions: from the aqueous phase into the solid and from the solid into aqueous phase. We calculated that 5-20% of structural Fe in clay minerals NAu-1, NAu-2, and SWa-1 exchanged with aqueous Fe(II), which significantly exceeds the Fe atom layer exposed directly to solution. Calculations based on electron-hopping rates in nontronite suggest that the bulk conduction mechanism previously demonstrated for hematite1 and suggested as an explanation for the significant Fe atom exchange observed in goethite2 may be a plausible mechanism for Fe atom exchange in Fe-bearing clay minerals. Our finding of 5-20% Fe atom exchange in clay minerals indicates that we need to rethink how Fe mobility affects the macroscopic properties of Fe-bearing phyllosilicates and its role in Fe biogeochemical cycling, as well as its use in a variety of engineered applications, such as landfill liners and nuclear repositories.

All-thiol-stabilized Ag44 and Au12Ag32 nanoparticles with single-crystal structures.

PubMed

Yang, Huayan; Wang, Yu; Huang, Huaqi; Gell, Lars; Lehtovaara, Lauri; Malola, Sami; Häkkinen, Hannu; Zheng, Nanfeng

2013-01-01

Noble metal nanoparticles stabilized by organic ligands are important for applications in assembly, site-specific bioconjugate labelling and sensing, drug delivery and medical therapy, molecular recognition and molecular electronics, and catalysis. Here we report crystal structures and theoretical analysis of three Ag44(SR)30 and three Au12Ag32(SR)30 intermetallic nanoclusters stabilized with fluorinated arylthiols (SR=SPhF, SPhF2 or SPhCF3). The nanocluster forms a Keplerate solid of concentric icosahedral and dodecahedral atom shells, protected by six Ag2(SR)5 units. Positive counterions in the crystal indicate a high negative charge of 4(-) per nanoparticle, and density functional theory calculations explain the stability as an 18-electron superatom shell closure in the metal core. Highly featured optical absorption spectra in the ultraviolet-visible region are analysed using time-dependent density functional perturbation theory. This work forms a basis for further understanding, engineering and controlling of stability as well as electronic and optical properties of these novel nanomaterials.

Sub-0.5 V Highly Stable Aqueous Salt Gated Metal Oxide Electronics

PubMed Central

Park, Sungjun; Lee, SeYeong; Kim, Chang-Hyun; Lee, Ilseop; Lee, Won-June; Kim, Sohee; Lee, Byung-Geun; Jang, Jae-Hyung; Yoon, Myung-Han

2015-01-01

Recently, growing interest in implantable bionics and biochemical sensors spurred the research for developing non-conventional electronics with excellent device characteristics at low operation voltages and prolonged device stability under physiological conditions. Herein, we report high-performance aqueous electrolyte-gated thin-film transistors using a sol-gel amorphous metal oxide semiconductor and aqueous electrolyte dielectrics based on small ionic salts. The proper selection of channel material (i.e., indium-gallium-zinc-oxide) and precautious passivation of non-channel areas enabled the development of simple but highly stable metal oxide transistors manifested by low operation voltages within 0.5 V, high transconductance of ~1.0 mS, large current on-off ratios over 107, and fast inverter responses up to several hundred hertz without device degradation even in physiologically-relevant ionic solutions. In conjunction with excellent transistor characteristics, investigation of the electrochemical nature of the metal oxide-electrolyte interface may contribute to the development of a viable bio-electronic platform directly interfacing with biological entities in vivo. PMID:26271456

Effects of mechanical strain on the performance of germanene sheets: Strength, failure behavior, and electronic structure

NASA Astrophysics Data System (ADS)

Ding, Ning; Wang, Huan; Liu, Long; Guo, Weimin; Chen, Xiangfeng; Wu, Chi-Man Lawrence

2018-02-01

As a two-dimensional material with a low-buckling structure, germanene has attracted considerable interest because of its excellent physical properties, such as massless Dirac fermions and quantum spin Hall effect. The mechanical characteristics of germanene are of the utmost importance when one is assessing its viability for nanodevices, especially for ones with defects. In this work, the stabilities, mechanical properties, and changes in electronic properties under mechanical strain for both pristine and defective germanene sheets were studied and analyzed with use of density functional theory. The mechanical properties of defect-free germanene exhibited obvious anisotropy along different directions. The mechanical properties of germanene sheets exhibited high sensitivity to the defect parameters, such as the linear density of vacancies, the width of the cracks, and the inflection angles caused by the grain boundaries. In addition, the applied mechanical strain changed the electronic properties of germanene to a large extent. The information obtained will be useful for the understanding and potential application of germanene.

Structure and electronic properties of ion pairs accompanying cyclic morpholinium cation and alkylphosphite anion based ionic liquids

NASA Astrophysics Data System (ADS)

Verma, Prakash L.; Singh, Priti; Gejji, Shridhar P.

2017-07-01

Molecular insights for the formation of ion pairs accompanying the cyclic ammonium cation based room temperature ionic liquids (RTILs) composed of alkyl substituted N-methylmorpholinium (RMMor) and alkylphosphite [(Rsbnd O)2PHdbnd O] (Rdbnd ethyl, butyl, hexyl, octyl) anion have been derived from the M06-2x level of theory. Electronic structures, binding energies, and spectral characteristics of the ion pairs underlying these RTILs have been characterized. The ion pair formation is largely governed by Csbnd H⋯O and other intermolecular interactions. Calculated binding energies increase with the increasing alkyl chain on either cation or alkylphosphite anion. The cation-anion binding reveals signature in the frequency down-(red) shift of the characteristic anionic Pdbnd O stretching whereas the Psbnd H stretching exhibits a shift in the opposite direction in vibrational spectra which has further been rationalized through molecular electron density topography. Correlations of measured electrochemical stability with the separation of frontier orbital energies and binding energies in the ion pairs have further been established.

Enhancement of the Rate Capability of LiFePO4 by a New Highly Graphitic Carbon-Coating Method.

PubMed

Song, Jianjun; Sun, Bing; Liu, Hao; Ma, Zhipeng; Chen, Zhouhao; Shao, Guangjie; Wang, Guoxiu

2016-06-22

Low lithium ion diffusivity and poor electronic conductivity are two major drawbacks for the wide application of LiFePO4 in high-power lithium ion batteries. In this work, we report a facile and efficient carbon-coating method to prepare LiFePO4/graphitic carbon composites by in situ carbonization of perylene-3,4,9,10-tetracarboxylic dianhydride during calcination. Perylene-3,4,9,10-tetracarboxylic dianhydride containing naphthalene rings can be easily converted to highly graphitic carbon during thermal treatment. The ultrathin layer of highly graphitic carbon coating drastically increased the electronic conductivity of LiFePO4. The short pathway along the [010] direction of LiFePO4 nanoplates could decrease the Li(+) ion diffusion path. In favor of the high electronic conductivity and short lithium ion diffusion distance, the LiFePO4/graphitic carbon composites exhibit an excellent cycling stability at high current rates at room temperature and superior performance at low temperature (-20 °C).

Determination of domain wall chirality using in situ Lorentz transmission electron microscopy

DOE PAGES

Chess, Jordan J.; Montoya, Sergio A.; Fullerton, Eric E.; ...

2017-02-23

Controlling domain wall chirality is increasingly seen in non-centrosymmetric materials. Mapping chiral magnetic domains requires knowledge about all the vector components of the magnetization, which poses a problem for conventional Lorentz transmission electron microscopy (LTEM) that is only sensitive to magnetic fields perpendicular to the electron beams direction of travel. The standard approach in LTEM for determining the third component of the magnetization is to tilt the sample to some angle and record a second image. Furthermore, this presents a problem for any domain structures that are stabilized by an applied external magnetic field (e.g. skyrmions), because the standard LTEMmore » setup does not allow independent control of the angle of an applied magnetic field, and sample tilt angle. Here we show that applying a modified transport of intensity equation analysis to LTEM images collected during an applied field sweep, we can determine the domain wall chirality of labyrinth domains in a perpendicularly magnetized material, avoiding the need to tilt the sample.« less

Determination of domain wall chirality using in situ Lorentz transmission electron microscopy

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

Chess, Jordan J.; Montoya, Sergio A.; Fullerton, Eric E.

Controlling domain wall chirality is increasingly seen in non-centrosymmetric materials. Mapping chiral magnetic domains requires knowledge about all the vector components of the magnetization, which poses a problem for conventional Lorentz transmission electron microscopy (LTEM) that is only sensitive to magnetic fields perpendicular to the electron beams direction of travel. The standard approach in LTEM for determining the third component of the magnetization is to tilt the sample to some angle and record a second image. Furthermore, this presents a problem for any domain structures that are stabilized by an applied external magnetic field (e.g. skyrmions), because the standard LTEMmore » setup does not allow independent control of the angle of an applied magnetic field, and sample tilt angle. Here we show that applying a modified transport of intensity equation analysis to LTEM images collected during an applied field sweep, we can determine the domain wall chirality of labyrinth domains in a perpendicularly magnetized material, avoiding the need to tilt the sample.« less

Pressure-induced elastic, electronic and optical properties of Ba(Mg1/3Nb2/3)O3 using first principles calculations

NASA Astrophysics Data System (ADS)

Islam, A. K. M. Farid Ul; Liton, M. N. H.; Anowar, M. G. M.

2018-06-01

The pressure dependent mechanical stability, electronic structure and optical properties of Ba(Mg1/3Nb2/3)O3 (BMN) perovskite have been investigated in the framework of the density functional theory. Geometry optimization shows that the BMN possesses more compressibility along c-axis. The dependency of the elastic constants, the aggregated elastic moduli (B, G) and the elastic anisotropy on pressure has also been studied. BMN shows brittle character at ambient pressure but it becomes ductile, and also stiffer and anisotropic nature due to external pressure. Electronic structure indicates the conversion of indirect to direct band gap with increasing pressure. Dominated ionic character of BMN is confirmed from the bond population analysis. By analyzing the optical spectra, a red shift at the band edge is observed in the visible range indicating the band gap tuning. It is seen that the static dielectric constant increases with pressure.

Electron beam induced strong organic/inorganic grafting for thermally stable lithium-ion battery separators

NASA Astrophysics Data System (ADS)

Choi, Yunah; Kim, Jin Il; Moon, Jungjin; Jeong, Jongyeob; Park, Jong Hyeok

2018-06-01

A tailored interface between organic and inorganic materials is of great importance to maximize the synergistic effects from hybridization. Polyethylene separators over-coated with inorganic thin films are the state-of-the art technology for preparing various secondary batteries with high safety. Unfortunately, the organic/inorganic hybrid separators have the drawback of a non-ideal interface, thus causing poor thermal/dimensional stability. Here, we report a straightforward method to resolve the drawback of the non-ideal interface between vapor deposited SiO2 and polyethylene separators, to produce a highly stable lithium-ion battery separator through strong chemical linking generated by direct electron beam irradiation. The simple treatment with an electron beam with an optimized dose generates thermally stable polymer separators, which may enhance battery safety under high-temperature conditions. Additionally, the newly formed Si-O-C or Si-CH3 chemical bonding enhances electrolyte-separator compatibility and thus may provide a better environment for ionic transport between the cathode and anode, thereby leading to better charge/discharge behaviors.

Sensitivity of system stability to model structure

USGS Publications Warehouse

Hosack, G.R.; Li, H.W.; Rossignol, P.A.

2009-01-01

A community is stable, and resilient, if the levels of all community variables can return to the original steady state following a perturbation. The stability properties of a community depend on its structure, which is the network of direct effects (interactions) among the variables within the community. These direct effects form feedback cycles (loops) that determine community stability. Although feedback cycles have an intuitive interpretation, identifying how they form the feedback properties of a particular community can be intractable. Furthermore, determining the role that any specific direct effect plays in the stability of a system is even more daunting. Such information, however, would identify important direct effects for targeted experimental and management manipulation even in complex communities for which quantitative information is lacking. We therefore provide a method that determines the sensitivity of community stability to model structure, and identifies the relative role of particular direct effects, indirect effects, and feedback cycles in determining stability. Structural sensitivities summarize the degree to which each direct effect contributes to stabilizing feedback or destabilizing feedback or both. Structural sensitivities prove useful in identifying ecologically important feedback cycles within the community structure and for detecting direct effects that have strong, or weak, influences on community stability. The approach may guide the development of management intervention and research design. We demonstrate its value with two theoretical models and two empirical examples of different levels of complexity. ?? 2009 Elsevier B.V. All rights reserved.

Design and Synthesis of Novel Block Copolymers for Efficient Opto-Electronic Applications

NASA Technical Reports Server (NTRS)

Sun, Sam-Shajing; Fan, Zhen; Wang, Yiqing; Taft, Charles; Haliburton, James; Maaref, Shahin

2002-01-01

It has been predicted that nano-phase separated block copolymer systems containing electron rich donor blocks and electron deficient acceptor blocks may facilitate the charge carrier separation and migration in organic photovoltaic devices due to improved morphology in comparison to polymer blend system. This paper presents preliminary data describing the design and synthesis of a novel Donor-Bridge-Acceptor (D-B-A) block copolymer system for potential high efficient organic optoelectronic applications. Specifically, the donor block contains an electron donating alkyloxy derivatized polyphenylenevinylene (PPV), the acceptor block contains an electron withdrawing alkyl-sulfone derivatized polyphenylenevinylene (PPV), and the bridge block contains an electronically neutral non-conjugated aliphatic hydrocarbon chain. The key synthetic strategy includes the synthesis of each individual block first, then couple the blocks together. While the donor block stabilizes and facilitates the transport of the holes, the acceptor block stabilizes and facilitates the transport of the electrons, the bridge block is designed to hinder the probability of electron-hole recombination. Thus, improved charge separation and stability are expected with this system. In addition, charge migration toward electrodes may also be facilitated due to the potential nano-phase separated and highly ordered block copolymer ultra-structure.

77 FR 39206 - Public Hearing on Proposed Rule for Heavy Vehicle Electronic Stability Control Systems

Federal Register 2010, 2011, 2012, 2013, 2014

2012-07-02

... Control Systems AGENCY: National Highway Traffic Safety Administration (NHTSA), Department of...) systems on truck tractors and large buses. NHTSA is announcing a public hearing to provide an opportunity... No. 136, Electronic Stability Control Systems for Heavy Vehicles (77 FR 30766). The standard would...

A brief review of models of DC-DC power electronic converters for analysis of their stability

NASA Astrophysics Data System (ADS)

Siewniak, Piotr; Grzesik, Bogusław

2014-10-01

A brief review of models of DC-DC power electronic converters (PECs) is presented in this paper. It contains the most popular, continuous-time and discrete-time models used for PEC simulation, design, stability analysis and other applications. Both large-signal and small-signal models are considered. Special attention is paid to models that are used in practice for the analysis of the global and local stability of PECs.

Direct measurement of discrete valley and orbital quantum numbers in bilayer graphene.

PubMed

Hunt, B M; Li, J I A; Zibrov, A A; Wang, L; Taniguchi, T; Watanabe, K; Hone, J; Dean, C R; Zaletel, M; Ashoori, R C; Young, A F

2017-10-16

The high magnetic field electronic structure of bilayer graphene is enhanced by the spin, valley isospin, and an accidental orbital degeneracy, leading to a complex phase diagram of broken symmetry states. Here, we present a technique for measuring the layer-resolved charge density, from which we directly determine the valley and orbital polarization within the zero energy Landau level. Layer polarization evolves in discrete steps across 32 electric field-tuned phase transitions between states of different valley, spin, and orbital order, including previously unobserved orbitally polarized states stabilized by skew interlayer hopping. We fit our data to a model that captures both single-particle and interaction-induced anisotropies, providing a complete picture of this correlated electron system. The resulting roadmap to symmetry breaking paves the way for deterministic engineering of fractional quantum Hall states, while our layer-resolved technique is readily extendable to other two-dimensional materials where layer polarization maps to the valley or spin quantum numbers.The phase diagram of bilayer graphene at high magnetic fields has been an outstanding question, with orders possibly between multiple internal quantum degrees of freedom. Here, Hunt et al. report the measurement of the valley and orbital order, allowing them to directly reconstruct the phase diagram.

High Throughput Engineering to Revitalize a Vestigial Electron Transfer Pathway in Bacterial Photosynthetic Reaction Centers*

PubMed Central

Faries, Kaitlyn M.; Kressel, Lucas L.; Wander, Marc J.; Holten, Dewey; Laible, Philip D.; Kirmaier, Christine; Hanson, Deborah K.

2012-01-01

Photosynthetic reaction centers convert light energy into chemical energy in a series of transmembrane electron transfer reactions, each with near 100% yield. The structures of reaction centers reveal two symmetry-related branches of cofactors (denoted A and B) that are functionally asymmetric; purple bacterial reaction centers use the A pathway exclusively. Previously, site-specific mutagenesis has yielded reaction centers capable of transmembrane charge separation solely via the B branch cofactors, but the best overall electron transfer yields are still low. In an attempt to better realize the architectural and energetic factors that underlie the directionality and yields of electron transfer, sites within the protein-cofactor complex were targeted in a directed molecular evolution strategy that implements streamlined mutagenesis and high throughput spectroscopic screening. The polycistronic approach enables efficient construction and expression of a large number of variants of a heteroligomeric complex that has two intimately regulated subunits with high sequence similarity, common features of many prokaryotic and eukaryotic transmembrane protein assemblies. The strategy has succeeded in the discovery of several mutant reaction centers with increased efficiency of the B pathway; they carry multiple substitutions that have not been explored or linked using traditional approaches. This work expands our understanding of the structure-function relationships that dictate the efficiency of biological energy-conversion reactions, concepts that will aid the design of bio-inspired assemblies capable of both efficient charge separation and charge stabilization. PMID:22247556

First direct observation of runaway electron-driven whistler waves in tokamaks

NASA Astrophysics Data System (ADS)

Spong, Donald A.

2017-10-01

Whistlers are electromagnetic waves that can be driven unstable by energetic electrons and are observed in natural plasmas, such as the ionosphere and Van Allen belts. Recent DIII-D experiments at low density demonstrate the first direct observation of whistlers in tokamaks, with 100-200 MHz waves excited by runaway electrons (REs) in the multi-MeV range. Whistler activity is correlated with RE intensity and the frequencies scale with magnetic field strength and electron density consistent with a whistler dispersion relation. Fluctuations occur in discrete frequency bands, and not a continuum as would be expected from plane wave analysis, suggesting the important role of toroidicity. An MHD model including the bounded/periodic nature of the plasma identifies multiple eigenmode branches. For a toroidal mode number n = 10, the predicted frequencies and spacing are similar to observations. The instabilities are stabilized with increasing magnetic field, as expected from the anomalous Doppler resonance. The whistler amplitudes show intermittent time variations. Predator-prey cycles with electron cyclotron emission (ECE) signals are observed, which can be interpreted as wave-induced pitch angle scattering of moderate energy REs. Such nonlinear dynamics are supported by quasi-linear simulations indicating that REs are scattered both by whistlers and high frequency magnetized plasma waves. The whistler wave predominantly scatters the high energy REs, while the magnetized plasma wave scatters the low energy REs, abruptly enhancing the ECE signal. Amplitude variations are also associated with sawtooth activity, indicating that the REs sample the q = 1 surface. These features of the RE-driven whistler have connections to ionospheric plasmas and open up new directions for the modeling and active control of tokamak REs. Work supported by the US DOE under DE-FC02-04ER54698, DE-AC52-07NA27344, DE-FG02-07ER54917, DE-SC00-16268, and DE-AC05-00OR22725.

Hierarchical core-shell NiCo2O4@NiMoO4 nanowires grown on carbon cloth as integrated electrode for high-performance supercapacitors

PubMed Central

Huang, Liang; Zhang, Wei; Xiang, Jinwei; Xu, Henghui; Li, Guolong; Huang, Yunhui

2016-01-01

Hierarchical core-shell NiCo2O4@NiMoO4 nanowires were grown on carbon cloth (CC@NiCo2O4@NiMoO4) by a two-step hydrothermal route to fabricate a flexible binder-free electrode. The prepared CC@NiCo2O4@NiMoO4 integrated electrode was directly used as an electrode for faradaic supercapacitor. It shows a high areal capacitance of 2.917 F cm−2 at 2 mA cm−2 and excellent cycling stability with 90.6% retention over 2000 cycles at a high current density of 20 mA cm−2. The superior specific capacitance, rate and cycling performance can be ascribed to the fast transferring path for electrons and ions, synergic effect and the stability of the hierarchical core-shell structure. PMID:27515274

Hierarchical core-shell NiCo2O4@NiMoO4 nanowires grown on carbon cloth as integrated electrode for high-performance supercapacitors.

PubMed

Huang, Liang; Zhang, Wei; Xiang, Jinwei; Xu, Henghui; Li, Guolong; Huang, Yunhui

2016-08-12

Hierarchical core-shell NiCo2O4@NiMoO4 nanowires were grown on carbon cloth (CC@NiCo2O4@NiMoO4) by a two-step hydrothermal route to fabricate a flexible binder-free electrode. The prepared CC@NiCo2O4@NiMoO4 integrated electrode was directly used as an electrode for faradaic supercapacitor. It shows a high areal capacitance of 2.917 F cm(-2) at 2 mA cm(-2) and excellent cycling stability with 90.6% retention over 2000 cycles at a high current density of 20 mA cm(-2). The superior specific capacitance, rate and cycling performance can be ascribed to the fast transferring path for electrons and ions, synergic effect and the stability of the hierarchical core-shell structure.

Hierarchical core-shell NiCo2O4@NiMoO4 nanowires grown on carbon cloth as integrated electrode for high-performance supercapacitors

NASA Astrophysics Data System (ADS)

Huang, Liang; Zhang, Wei; Xiang, Jinwei; Xu, Henghui; Li, Guolong; Huang, Yunhui

2016-08-01

Hierarchical core-shell NiCo2O4@NiMoO4 nanowires were grown on carbon cloth (CC@NiCo2O4@NiMoO4) by a two-step hydrothermal route to fabricate a flexible binder-free electrode. The prepared CC@NiCo2O4@NiMoO4 integrated electrode was directly used as an electrode for faradaic supercapacitor. It shows a high areal capacitance of 2.917 F cm-2 at 2 mA cm-2 and excellent cycling stability with 90.6% retention over 2000 cycles at a high current density of 20 mA cm-2. The superior specific capacitance, rate and cycling performance can be ascribed to the fast transferring path for electrons and ions, synergic effect and the stability of the hierarchical core-shell structure.

A two step method to synthesize palladium-copper nanoparticles on reduced graphene oxide and their extremely high electrocatalytic activity for the electrooxidation of methanol and ethanol

NASA Astrophysics Data System (ADS)

Na, HeYa; Zhang, Lei; Qiu, HaiXia; Wu, Tao; Chen, MingXi; Yang, Nian; Li, LingZhi; Xing, FuBao; Gao, JianPing

2015-08-01

Palladium-copper nanoparticles (Pd-Cu NPs) supported on reduced graphene oxide (RGO) with different Pd/Cu ratios (Pd-Cu/RGO) were prepared by a two step method. The Pd-Cu/RGO hybrids were characterized by transmission electron microscopy, X-ray photoelectron spectroscopy, X-ray diffraction and thermogravimetric analyses. Cyclic voltammetry and chronoamperometry were used to investigate the electrochemical activities and stabilities of the Pd-Cu/RGO catalysts for the electro-oxidation of methanol and ethanol in alkaline media. The Pd-Cu/RGO catalysts exhibited high catalytic activities and good stabilities. This is because the catalysts have a bimetallic structure consisting of a small Pd-Cu core surrounded by a thin Pd-rich shell which improves the catalytic activities of the Pd-Cu/RGO hybrids. Thus they should be useful in direct methanol and ethanol fuel cells.

Challenges and perspectives of garnet solid electrolytes for all solid-state lithium batteries

NASA Astrophysics Data System (ADS)

Liu, Qi; Geng, Zhen; Han, Cuiping; Fu, Yongzhu; Li, Song; He, Yan-bing; Kang, Feiyu; Li, Baohua

2018-06-01

Garnet Li7La3Zr2O12 (LLZO) solid electrolytes recently have attracted tremendous interest as they have the potential to enable all solid-state lithium batteries (ASSLBs) owing to high ionic conductivity (10-3 to 10-4 S cm-1), negligible electronic transport, wide potential window (up to 9 V), and good chemical stability. Here we present the key issues and challenges of LLZO in the aspects of ion conduction property, interfacial compatibility, and stability in air. First, different preparation methods of LLZO are reviewed. Then, recent progress about the improvement of ionic conductivity and interfacial property between LLZO and electrodes are presented. Finally, we list some emerging LLZO-based solid-state batteries and provide perspectives for further research. The aim of this review is to summarize the up-to-date developments of LLZO and lead the direction for future development which could enable LLZO-based ASSLBs.

Fullerene-like Polyoxotitanium Cage with High Solution Stability.

PubMed

Gao, Mei-Yan; Wang, Fei; Gu, Zhi-Gang; Zhang, De-Xiang; Zhang, Lei; Zhang, Jian

2016-03-02

We present the formation of the largest titanium-oxo cluster, [Ti42(μ3-O)60(OiPr)42(OH)12)](6-), with the first fullerene-like Ti-O shell structure. The {Ti42O60} core of this compound exemplifies the same icosahedral (Ih) symmetry as C60, the highest possible symmetry for molecules. According to the coordination environments, the Ti centers in this cluster can be arranged into a Platonic {Ti12} icosahedron and an Archimedean {Ti30} icosidodecahedron. The solution stability of this cluster was confirmed by electrospray ionization mass spectrometry. The spherical body of the {Ti42O60} core has an inside diameter of 1.05 nm and an outside diameter of 1.53 nm, which could be directly visualized by high-resolution transmission electron microscopy. Our results demonstrate that titanium oxide can also form fullerene-like shell structures.

DNA-Templated Molecular Silver Fluorophores

PubMed Central

Petty, Jeffrey T.; Story, Sandra P.; Hsiang, Jung-Cheng; Dickson, Robert M.

2013-01-01

Conductive and plasmon-supporting noble metals exhibit an especially wide range of size-dependent properties, with discrete electronic levels, strong optical absorption, and efficient radiative relaxation dominating optical behavior at the ~10-atom cluster scale. In this Perspective, we describe the formation and stabilization of silver clusters using DNA templates and highlight the distinct spectroscopic and photophysical properties of the resulting hybrid fluorophores. Strong visible to near-IR emission from DNA-encapsulated silver clusters ranging in size from 5–11 atoms has been produced and characterized. Importantly, this strong Ag cluster fluorescence can be directly modulated and selectively recovered by optically controlling the dark state residence, even when faced with an overwhelming background. The strength and sequence sensitivity of the oligonucleotide-Ag interaction suggests strategies for fine tuning and stabilizing cluster-based emitters in a host of sensing and biolabeling applications that would benefit from brighter, more photostable, and quantifiable emitters in high background environments. PMID:23745165

Preliminary fabrication and characterization of electron beam melted Ti-6Al-4V customized dental implant.

PubMed

Ramakrishnaiah, Ravikumar; Al Kheraif, Abdulaziz Abdullah; Mohammad, Ashfaq; Divakar, Darshan Devang; Kotha, Sunil Babu; Celur, Sree Lalita; Hashem, Mohamed I; Vallittu, Pekka K; Rehman, Ihtesham Ur

2017-05-01

The current study was aimed to fabricate customized root form dental implant using additive manufacturing technique for the replacement of missing teeth. The root form dental implant was designed using Geomagic™ and Magics™, the designed implant was directly manufactured by layering technique using ARCAM A2™ electron beam melting system by employing medical grade Ti-6Al-4V alloy powder. Furthermore, the fabricated implant was characterized in terms of certain clinically important parameters such as surface microstructure, surface topography, chemical purity and internal porosity. Results confirmed that, fabrication of customized dental implants using additive rapid manufacturing technology offers an attractive method to produce extremely pure form of customized titanium dental implants, the rough and porous surface texture obtained is expected to provide better initial implant stabilization and superior osseointegration.

Ion acoustic solitary wave with weakly transverse perturbations in quantum electron-positron-ion plasma

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

Mushtaq, A.; Khan, S. A.; Department of Physics, COMSATS Institute of Information Technology, Islamabad

2007-05-15

The characteristics and stability of ion acoustic solitary wave with transverse perturbations are examined in ultracold quantum magnetospheric plasma consisting of electrons, positrons, and ions. Using the quantum hydrodynamic model, a dispersion relation in the linear regime, and the Kadomtsev-Petviashvili equation in the nonlinear regime are derived. The quantum corrections are studied through quantum statistics and diffraction effects. It is found that compressive solitary wave can propagate in this system. The quantum effects are also studied graphically for both linear and nonlinear profiles of ion acoustic wave. Using energy consideration method, conditions for existence of stable solitary waves are obtained.more » It is found that stable solitary waves depend on quantum corrections, positron concentration, and direction cosine of the wave vector k along the x axis.« less

Photodetachment of Zwitterions: Probing Intramolecular Coulomb Repulsion and Attraction in the Gas Phase Using Pyridinium Dicarboxylate Anions

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

Wang, Xue B.; Dacres, J E.; Yang, Xin

2003-10-23

Zwitterions are critically important in many biological transformations and are used in numerous chemical processes. The consequences of electrostatic effects on reactivity and physical properties, however, are largely unknown. In this work, we report the results of negative ion photoelectron spectra of nine isomeric pyridinium dicarboxylate zwitterions and three nonzwitterionic methoxycarbonylpyridine carboxylate isomers (-O(2)CPyrCO(2)CH(3)). Information about the intramolecular electrostatic interactions was directly obtained from the photoelectron spectra. The adiabatic and vertical detachment energies were measured and understood in terms of intramolecular Coulombic forces. Calculations at the B3LYP and CCSD(T) level were performed and compared to the experimental electron binding energies.more » Structures, relative stabilities, and the electron detachment sites also were obtained from the calculations.« less

Resonant-Plasmon-Assisted Subwavelength Ablation by a Femtosecond Oscillator

DOE PAGES

Shi, Liping; Iwan, Bianca; Ripault, Quentin; ...

2018-02-02

Here, we experimentally demonstrate the use of subwavelength optical nanoantennas to assist a direct nanoscale ablation using the ultralow fluence of a Ti:sapphire oscillator through the excitation of surface plasmon waves. The mechanism is attributed to nonthermal transient unbonding and electrostatic ablation, which is triggered by the surface plasmon-enhanced field electron emission and acceleration in vacuum. We show that the electron-driven ablation appears for both nanoscale metallic as well as dielectric materials. While the observed surface plasmon-enhanced local ablation may limit the applications of nanostructured surfaces in extreme nonlinear nanophotonics, it, nevertheless, also provides a method for nanomachining, manipulation, andmore » modification of nanoscale materials. Lastly, collateral thermal damage to the antenna structure can be suitably avoided, and nonlinear conversion processes can be stabilized by a dielectric overcoating of the antenna.« less

Chemical activation of molecules by metals: Experimental studies of electron distributions and bonding

NASA Astrophysics Data System (ADS)

Lichtenberg, Dennis L.

During this period some important breakthroughs were accomplished in understanding the relationships between molecular ionization energies and bond energies in transition metal complexes, in understanding the electronic factors of carbon-hydrogen bond activation by transition metals, in characterizing small molecule bonding interactions with transition metals, and in investigating intermolecular interactions in thin films of transition metal complexes. The formal relationship between measured molecular ionization energies and thermodynamic bond dissociation energies was developed into a single equation which unifies the treatment of covalent bonds, ionic bonds, and partially ionic bonds. The relationship was used to clarify the fundamental thermodynamic information relating to metal-hydrogen, metal-alkyl, and metal-metal bond energies. The ionization energies were also used to correlate the rates of carbonyl substitution reactions of (eta(sup 5)-C5H4X)Rh(CO)2 complexes, and to reveal the factors that control the stability of the transition state. The investigations of the fundamental interactions of C-H sigma and sigma* orbitals metals were continued with study of eta(sup 3)-1-methylallyl metal complexes. Direct observation and measurement of the stabilization energy provided by the agostic interaction of the C-H bond with the metal was obtained. The ability to observe the electronic effects of intermolecular interactions by comparing the ionizations of metal complexes in the gas phase with the ionizations of thin solid organometallic films prepared in ultra-high vacuum was established. Most significantly, the scanning tunneling microscope imaging of these thin films was accomplished.

New Model of Action for Mood Stabilizers: Phosphoproteome from Rat Pre-Frontal Cortex Synaptoneurosomal Preparations

PubMed Central

Corena-McLeod, Maria; Walss-Bass, Consuelo; Oliveros, Alfredo; Gordillo Villegas, Andres; Ceballos, Carolina; Charlesworth, Cristine M.; Madden, Benjamin; Linser, Paul J.; Van Ekeris, Leslie; Smith, Kristin; Richelson, Elliott

2013-01-01

Background Mitochondrial short and long-range movements are necessary to generate the energy needed for synaptic signaling and plasticity. Therefore, an effective mechanism to transport and anchor mitochondria to pre- and post-synaptic terminals is as important as functional mitochondria in neuronal firing. Mitochondrial movement range is regulated by phosphorylation of cytoskeletal and motor proteins in addition to changes in mitochondrial membrane potential. Movement direction is regulated by serotonin and dopamine levels. However, data on mitochondrial movement defects and their involvement in defective signaling and neuroplasticity in relationship with mood disorders is scarce. We have previously reported the effects of lithium, valproate and a new antipsychotic, paliperidone on protein expression levels at the synaptic level. Hypothesis Mitochondrial function defects have recently been implicated in schizophrenia and bipolar disorder. We postulate that mood stabilizer treatment has a profound effect on mitochondrial function, synaptic plasticity, mitochondrial migration and direction of movement. Methods Synaptoneurosomal preparations from rat pre-frontal cortex were obtained after 28 daily intraperitoneal injections of lithium, valproate and paliperidone. Phosphorylated proteins were identified using 2D-DIGE and nano LC-ESI tandem mass spectrometry. Results Lithium, valproate and paliperidone had a substantial and common effect on the phosphorylation state of specific actin, tubulin and myosin isoforms as well as other proteins associated with neurofilaments. Furthermore, different subunits from complex III and V of the electron transfer chain were heavily phosphorylated by treatment with these drugs indicating selective phosphorylation. Conclusions Mood stabilizers have an effect on mitochondrial function, mitochondrial movement and the direction of this movement. The implications of these findings will contribute to novel insights regarding clinical treatment and the mode of action of these drugs. PMID:23690912

Self-assembled platinum nanoparticles on sulfonic acid-grafted graphene as effective electrocatalysts for methanol oxidation in direct methanol fuel cells

NASA Astrophysics Data System (ADS)

Lu, Jinlin; Li, Yanhong; Li, Shengli; Jiang, San Ping

2016-02-01

In this article, sulfonic acid-grafted reduced graphene oxide (S-rGO) were synthesized using a one-pot method under mild conditions, and used as Pt catalyst supports to prepare Pt/S-rGO electrocatalysts through a self-assembly route. The structure, morphologies and physicochemical properties of S-rGO were examined in detail by techniques such as atomic force microscope (AFM), transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS). The S-rGO nanosheets show excellent solubility and stability in water and the average particle size of Pt nanoparticles supported on S-rGO is ~3.8 nm with symmetrical and uniform distribution. The electrocatalytic properties of Pt/S-rGO were investigated for methanol oxidation reaction (MOR) in direct methanol fuel cells (DMFCs). In comparison to Pt supported on high surface area Vulcan XC-72 carbon (Pt/VC) and Pt/rGO, the Pt/S-rGO electrocatalyst exhibits a much higher electrocatalytic activity, faster reaction kinetics and a better stability. The results indicate that Pt/S-rGO is a promising and effective electrocatalyst for MOR of DMFCs.

Self-assembled platinum nanoparticles on sulfonic acid-grafted graphene as effective electrocatalysts for methanol oxidation in direct methanol fuel cells.

PubMed

Lu, Jinlin; Li, Yanhong; Li, Shengli; Jiang, San Ping

2016-02-15

In this article, sulfonic acid-grafted reduced graphene oxide (S-rGO) were synthesized using a one-pot method under mild conditions, and used as Pt catalyst supports to prepare Pt/S-rGO electrocatalysts through a self-assembly route. The structure, morphologies and physicochemical properties of S-rGO were examined in detail by techniques such as atomic force microscope (AFM), transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS). The S-rGO nanosheets show excellent solubility and stability in water and the average particle size of Pt nanoparticles supported on S-rGO is ~3.8 nm with symmetrical and uniform distribution. The electrocatalytic properties of Pt/S-rGO were investigated for methanol oxidation reaction (MOR) in direct methanol fuel cells (DMFCs). In comparison to Pt supported on high surface area Vulcan XC-72 carbon (Pt/VC) and Pt/rGO, the Pt/S-rGO electrocatalyst exhibits a much higher electrocatalytic activity, faster reaction kinetics and a better stability. The results indicate that Pt/S-rGO is a promising and effective electrocatalyst for MOR of DMFCs.

Amorphous Sulfadoxine: A Physical Stability and Crystallization Kinetics Study.

PubMed

Aucamp, Marique; Milne, Marnus; Liebenberg, Wilna

2016-10-01

Poor aqueous solubility of drugs and the improvement thereof has always been a challenge for the pharmaceutical industry. With this, one of the focuses of the pharmaceutical research scientist involves investigating possible metastable forms of a given drug to be incorporated into solid dosage forms. The rationale being, the improved solubility offered by the metastable solid-state forms of drugs. Solubility remains a major challenge for formulation scientists, especially with antimicrobial agents where the emergence of resistance is directly dependent on the concentration and duration of the parasite exposed to the drug. Sulfadoxine-pyrimethamine combination therapies are still the recommended treatments for uncomplicated Plasmodium falciparum malaria. The aim of this study was to prepare an amorphous form of sulfadoxine and to investigate the stability and recrystallization behavior thereof. The amorphous form was prepared by the well-known quench cooling of the melt. The physico-chemical properties and stability of amorphous sulfadoxine were studied using hot-stage microscopy (HSM), scanning electron microscopy (SEM), x-ray powder diffractometry (XRPD), differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), as well as microcalorimetry. The recrystallization kinetics were studied isothermally by applying the Johnson-Mehl-Avrami model and non-isothermally by applying the Kissinger model. The physical stabilization of the amorphous form was investigated using physical mixtures of amorphous sulfadoxine with polyvinylpyrrolidone-25 (PVP-25). It was proved that sulfadoxine is a good glass former with relative high physical stability; however, water acts as a strong plasticizer for amorphous sulfadoxine, detrimentally affecting the stability during exposure to high moisture conditions.

Equilibium and Stability of Spherical Vlasov Systems

NASA Astrophysics Data System (ADS)

Barnes, D. C.; Chacon, L.; Finn, J. M.

2002-04-01

Collisionless systems with inverse square interaction potentials and possible background confining potentials are considered for the case of spherical symmetry and in the Vlasov limit. The equilibrium is the most general, with single-particle distribution function dependence on both total energy E and total angular momentum L. A new formulation of the full integral-equation stability problem is developed. For a general spherical harmonic perturbation potential, the 3D stability problem is reduced to a 2D problem in an arbitrary central plane of motion, then to a small number of coupled 1D problems involving only the radius. Normal modes depend only on the total mode number l, as is shown directly by this new formulation, with all m degenerate. This method has been used for the Coulomb (repulsive) case.[1] An equilibrium family with uniform central (electron) density is found, and the low-frequency response computed to show that these solutions may provide stable confinement of a massive second (ion) species. These methods may be applied to a particle bunch in the beam frame, and some stability results appropriate to this case are presented. Application to the gravitational (attractive) case is also described, and some initial analytic results are presented. [1] D. C. Barnes, L. Chacón, J. M. Finn, “Equilibrium and Low-frequency Stability of a Uniform Density, Collisionless, Spherical Vlasov System,” submitted to Phys. of Plasmas (2002).

Stabilization of cesium in alkali-activated municipal solid waste incineration fly ash and a pyrophyllite-based system.

PubMed

Shiota, Kenji; Nakamura, Takafumi; Takaoka, Masaki; Aminuddin, Siti Fatimah; Oshita, Kazuyuki; Fujimori, Takashi

2017-11-01

Environmentally sound treatments are required to dispose of municipal solid waste incineration fly ash (MSWIFA) contaminated with radioactive cesium (Cs) from the Fukushima Daiichi nuclear power plant accident in Japan. This study focuses on the stabilization of Cs using an alkali-activated MSWIFA and pyophyllite-based system. Three composite solid products were synthesized after mixtures of raw materials (dehydrated pyrophyllite, MSWIFA, 14 mol/L aqueous sodium hydroxide, and sodium silicate solution) were cured at 105 °C for 24 h. Three types of MSWIFAs were prepared as raw fly ash, raw fly ash with 0.1% CsCl, and raw fly ash with 40% CsCl to understand the stabilization mechanism of Cs. Cs stabilization in two solid products was successful, with less than 6.9% leaching observed from two types tests, and was partly successful for the solid product with the highest concentration of Cs. X-ray diffraction showed that all of the solid products produced several crystalline phases, and that pollucite was formed in the highest Cs concentration product. The X-ray absorption fine structure and scanning electron microscopy with X-ray analysis suggested that most Cs species formed pollucite in the two solid products from MSWIFA with added CsCl. This system provides a technique for the direct stabilization of Cs in MSWIFA. Copyright © 2017 Elsevier Ltd. All rights reserved.

Improving Stability of Zeolites in Aqueous Phase via Selective Removal of Structural Defects

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

Prodinger, Sebastian; Derewinski, Miroslaw A.; Vjunov, Aleksei

2016-03-13

This work reports significant improvement in the hydrothermal stability of a well-characterized BEA zeolite via the selective removal of structural defects. Recent work suggests that the presence of silanol defects destabilizes the framework integrity of most zeolites and makes them susceptible to hydrolysis of the siloxy bonds by hot liquid water. The described approach allows for a key removal of silanols as shown with 29Si-MAS-NMR. Subsequently, the material stability in hot liquid water, measured by retention of its crystallinity with X-ray diffraction (XRD), is found to be superior to defective zeolites. In addition, N2-sorption measurements (BET) and transmission electron microscopymore » (TEM) show the formation of different types of mesoporosity for water-treated stabilized and unmodified materials. While the sorption capacity for untreated materials drops, related to re-precipitation of dissolved silica and pore blocking, the stabilized material retains its microporosity and improves its overall sorption capacity. The authors would like to thank B. W. Arey (PNNL) for HIM measurements and I. Arslan for TEM imaging. This work was supported by the U. S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. SP and MD acknowledge support by the Materials Synthesis and Simulation Across Scales (MS3 Initiative) conducted under Laboratory Directed Research & Development Program at PNNL.« less

Some effects of nonlinear variation in the directional-stability and damping-in-yawing derivatives on the lateral stability of an airplane

NASA Technical Reports Server (NTRS)

Sternfield, Leonard

1951-01-01

A theoretical investigation has been made to determine the effect of nonlinear stability derivatives on the lateral stability of an airplane. Motions were calculated on the assumption that the directional-stability and the damping-in-yawing derivatives are functions of the angle of sideslip. The application of the Laplace transform to the calculation of an airplane motion when certain types of nonlinear derivatives are present is described in detail. The types of nonlinearities assumed correspond to the condition in which the values of the directional-stability and damping-in-yawing derivatives are zero for small angle of sideslip.

Optoelectronic oscillator with improved phase noise and frequency stability

NASA Astrophysics Data System (ADS)

Eliyahu, Danny; Sariri, Kouros; Taylor, Joseph; Maleki, Lute

2003-07-01

In this paper we report on recent improvements in phase noise and frequency stability of a 10 GHz opto-electronic oscillator. In our OEO loop, the high Q elements (the optical fiber and the narrow bandpass microwave filter) are thermally stabilized using resistive heaters and temperature controllers, keeping their temperature above ambient. The thermally stabilized free running OEO demonstrates a short-term frequency stability of 0.02 ppm (over several hours) and frequency vs. temperature slope of -0.1 ppm/°C (compared to -8.3 ppm/°C for non thermally stabilized OEO). We obtained an exceptional spectral purity with phase noise level of -143 dBc/Hz at 10 kHz of offset frequency. We also describe the multi-loop configuration that reduces dramatically the spurious level at offset frequencies related to the loop round trip harmonic frequency. The multi-loop configuration has stronger mode selectivity due to interference between signals having different cavity lengths. A drop of the spurious level below -90 dBc was demonstrated. The effect of the oscillator aging on the frequency stability was studied as well by recording the oscillator frequency (in a chamber) over several weeks. We observed reversal in aging direction with logarithmic behavior of A ln(B t+1)-C ln(D t+1), where t is the time and A, B, C, D are constants. Initially, in the first several days, the positive aging dominates. However, later the negative aging mechanism dominates. We have concluded that the long-term aging behavioral model is consistent with the experimental results.

Generalized extended Lagrangian Born-Oppenheimer molecular dynamics

DOE PAGES

Niklasson, Anders M. N.; Cawkwell, Marc J.

2014-10-29

Extended Lagrangian Born-Oppenheimer molecular dynamics based on Kohn-Sham density functional theory is generalized in the limit of vanishing self-consistent field optimization prior to the force evaluations. The equations of motion are derived directly from the extended Lagrangian under the condition of an adiabatic separation between the nuclear and the electronic degrees of freedom. We show how this separation is automatically fulfilled and system independent. The generalized equations of motion require only one diagonalization per time step and are applicable to a broader range of materials with improved accuracy and stability compared to previous formulations.

76 FR 49533 - Spyker Automobielen B.V.; Receipt of Application for Temporary Exemption from FMVSS No. 126

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-10

... Standard (FMVSS) No. 126, Electronic Stability Control Systems. SUMMARY: In accordance with the procedures... line of vehicles from the requirements of FMVSS No. 126, the standard for electronic stability control systems. The basis of the application is that compliance would cause substantial economic hardship to a...

76 FR 55829 - Federal Motor Vehicle Safety Standards; Electronic Stability Control Systems

Federal Register 2010, 2011, 2012, 2013, 2014

2011-09-09

.... Benefits of ESC Electronic stability control (ESC) systems use automatic computer- controlled braking of... demonstrated that these systems reduce fatal single-vehicle crashes of passenger cars by 55 percent and fatal... potential to prevent 56 percent of the fatal passenger car rollovers and 74 percent of the fatal LTV first...

Studies on electronic structure of interfaces between Ag and gelatin for stabilization of Ag nanoparticles

NASA Astrophysics Data System (ADS)

Tani, Tadaaki; Uchida, Takayuki

2015-06-01

Extremely high stability of Ag nanoparticles in photographic materials has forced us to study the electronic structures of the interfaces between thin layers of Ag, Au, and Pt and their surface membranes in ambient atmosphere by photoelectron yield spectroscopy in air and Kelvin probe method. Owing to the Fermi level equalization between a metal layer and a membrane coming from air, the electron transfer took place from the membrane to Pt and Au layers and from an Ag layer to the membrane, giving the reason for poor stability of Ag nanoparticles in air. The control of the Fermi level of an Ag layer with respect to that of a gelatin membrane in air could be widely made according to Nernst’s equation by changing the pH and pAg values of an aqueous gelatin solution used to form the membrane, and thus available to stabilize Ag nanoparticles in a gelatin matrix.

Stability of the discretization of the electron avalanche phenomenon

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

Villa, Andrea, E-mail: andrea.villa@rse-web.it; Barbieri, Luca, E-mail: luca.barbieri@rse-web.it; Gondola, Marco, E-mail: marco.gondola@rse-web.it

2015-09-01

The numerical simulation of the discharge inception is an active field of applied physics with many industrial applications. In this work we focus on the drift-reaction equation that describes the electron avalanche. This phenomenon is one of the basic building blocks of the streamer model. The main difficulty of the electron avalanche equation lies in the fact that the reaction term is positive when a high electric field is applied. It leads to exponentially growing solutions and this has a major impact on the behavior of numerical schemes. We analyze the stability of a reference finite volume scheme applied tomore » this latter problem. The stability of the method may impose a strict mesh spacing, therefore a proper stabilized scheme, which is stable whatever spacing is used, has been developed. The convergence of the scheme is treated as well as some numerical experiments.« less

DFT investigations on mechanical stability, electronic structure and magnetism in Co2TaZ (Z = Al, Ga, In) heusler alloys

NASA Astrophysics Data System (ADS)

Khandy, Shakeel Ahmad; Gupta, Dinesh C.

2017-12-01

Ferromagnetic Heusler compounds have vast and imminent applications for novel devices, smart materials thanks to density functional theory (DFT) based simulations, which have scored out a new approach to study these materials. We forecast the structural stability of Co2TaZ alloys on the basis of total energy calculations and mechanical stability criteria. The elastic constants, robust spin-polarized ferromagnetism and electron densities in these half-metallic alloys are also discussed. The observed structural aspects calculated to predict the stability and equilibrium lattice parameters agree well with the experimental results. The elastic parameters like elastic constants, bulk, Young’s and shear moduli, poison’s and Pugh ratios, melting temperatures, etc have been put together to establish their mechanical properties. The elaborated electronic band structures along with indirect band gaps and spin polarization favour the application of these materials in spintronics and memory device technology.

β-armchair antimony nanotube: Structure, stability and electronic properties

NASA Astrophysics Data System (ADS)

Singh, Shilpa; Gupta, Sanjeev K.; Sonvane, Yogesh; Gajjar, P. N.

2018-05-01

In the present work, we have used density functional theory (DFT) to investigate the structure, stability and electronic properties of β-armchair antimony nanotube (ASbNT). We have calculated formation energy and found that β-armchair antimony nanotube (ASbNT) is energetically less stable than β-antimonene. The result shows that β-ASbNT of higher diameter are more stable than nanotubes of lower diameter while electronic band structure shows semiconducting nature of these nanotubes.

Three-dimensional carbon- and binder-free nickel nanowire arrays as a high-performance and low-cost anode for direct hydrogen peroxide fuel cell

NASA Astrophysics Data System (ADS)

Ye, Ke; Guo, Fen; Gao, Yinyi; Zhang, Dongming; Cheng, Kui; Zhang, Wenping; Wang, Guiling; Cao, Dianxue

2015-12-01

A novel three-dimensional carbon- and binder-free nickel nanowire arrays (Ni NAs) electrode is successfully fabricated by a facile galvanostatic electrodeposition method using polycarbonate membrane as the template. The Ni NAs electrode achieves a oxidation current density (divided by the electroactive surface areas of Ni) of 25.1 mA cm-2 in 4 mol L-1 KOH and 0.9 mol L-1 H2O2 at 0.2 V (vs. Ag/AgCl) accompanied with a desirable stability, which is significantly higher than the catalytic activity of H2O2 electro-oxidation achieved previously with precious metals as catalysts. The impressive electrocatalytic performance is largely attributed to the superior 3D open structure and high electronic conductivity, which ensures the high utilization of Ni surfaces and makes the electrode have higher electrochemical activity. The apparent activation energy of H2O2 electro-oxidation on the Ni NAs catalyst is 13.59 kJ mol-1. A direct peroxide-peroxide fuel cell using the Ni NAs as anode exhibits a peak power density of 48.7 mW cm-2 at 20 °C. The electrode displays a great promise as the anode of direct peroxide-peroxide fuel cell due to its low cost, high activity and stability.

Development of epitaxial Al xSc 1-xN for artificially structured metal/semiconductor superlattice metamaterials

DOE PAGES

Sands, Timothy D.; Stach, Eric A.; Saha, Bivas; ...

2015-02-01

Epitaxial nitride rocksalt metal/semiconductor superlattices are emerging as a novel class of artificially structured materials that have generated significant interest in recent years for their potential application in plasmonic and thermoelectric devices. Though most nitride metals are rocksalt, nitride semiconductors in general have hexagonal crystal structure. We report rocksalt aluminum scandium nitride (Al,Sc)N alloys as the semiconducting component in epitaxial rocksalt metal/semiconductor superlattices. The Al xSc 1-xN alloys when deposited directly on MgO substrates are stabilized in a homogeneous rocksalt (single) phase when x < 0.51. Employing 20 nm TiN as a seed layer on MgO substrates, the homogeneity rangemore » for stabilizing the rocksalt phase has been extended to x < 0.82 for a 120 nm film. The rocksalt Al xSc 1-xN alloys show moderate direct bandgap bowing with a bowing parameter, B = 1.41 ± 0.19 eV. The direct bandgap of metastable rocksalt AlN is extrapolated to be 4.70 ± 0.20 eV. The tunable lattice parameter, bandgap, dielectric permittivity, and electronic properties of rocksalt Al xSc 1-xN alloys enable high quality epitaxial rocksalt metal/Al xSc 1-xN superlattices with a wide range of accessible metamaterials properties.« less

Electron flow in large metallomacromolecules and electronic switch of nanoparticle stabilization: new click ferrocenyl dentromers that reduce Au(III) to Au nanoparticles.

PubMed

Astruc, Didier; Wang, Qi; Fu, Fangyu; Martinez-Villacorta, Angel M; Moya, Sergio; Salmon, Lionel; Ruiz, Jaime; Hunel, Julien; Vax, Amélie

2018-06-04

Click ferrocenyl-terminal dentromers, a family of arene-cored dendrimers with triple branching (9-Fc, 27-Fc, 81-Fc and 243-Fc) reduce Au(III) to ferricinium dentromer-stabilized Au nanoparticles (AuNPs). Cyclic voltammetry studies in CH2Cl2 show reversible CV waves with some adsorption for the 243-Fc dentromer and a number of redox groups found, 255 ± 25, using the Bard-Anson method, close to the theoretical number of 243. The dentromers reduce aqueous HAuCl4 to water-soluble ferricinium chloride dentromer-stabilized gold nanoparticles (AuNPs) with core sizes between 30 and 47 nm. These triazolylferricinium dentromer-stabilized AuNPs are reduced by cobaltocene to cobalticinium chloride and ferrocene dentromer-weakly stabilized AuNPs together with red shift of the AuNP plasmon. The weakness of the AuNP stabilization is characterized by dentromer extraction with CH2Cl2 along with irreversible AuNP agglomeration for the 9, 27 and 81-ferrocenyl dentromer, only the 243-ferrocenyl dentromer-AuNP withstanding this process. Altogether this demonstrates the electronic switch of the dentromer-mediated AuNP stabilization. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of intentional abutment disconnection on the micro-movements of the implant-abutment assembly: a 3D digital image correlation analysis.

PubMed

Messias, Ana; Rocha, Salomão; Calha, Nuno; Neto, Maria Augusta; Nicolau, Pedro; Guerra, Fernando

2017-01-01

Implant-abutment assembly stability is critical for the success of implant-supported rehabilitation. The intentional removal of the prosthetic components may hamper the achievement of the essential stability due to preload reduction in the screw joint and implant-screw mating surface changes. To evaluate the effect of intentional abutment disconnection and reconnection in the stability of internal locking hex implants and corresponding abutments using the method of 3D digital image correlation. Ten conical shape and internal hexagon connection implants were embedded in acrylic resin and assembled to prosthetic abutments with 30 Ncm torque and assigned to two groups: group 1 - tested for static load-bearing capacity at 30° off-axis for two times and group 2 - underwent intentional disconnection and reconnection between tests. Micro-movements were captured with two high-speed photographic cameras and analyzed with video correlation system in three spacial axes U, V and W. Screw abutment and internal implant thread morphology was observed with a field-emission scanning electron microscopy. After the intentional disconnection of the abutment, group 2 showed generally higher maximum displacements for U and V directions. Under 50N load, mean difference was 24.7 μm (P = 0.008) for U direction and -7.7 μm (P = 0.008) for V direction. No significant differences were found for maximum and minimum displacements in the W direction. Mean displacement of the speckle surface presented was statistically different in the two groups (P = 0.016). SEM revealed non-homogenous screw surfaces with scoring on group 2 plus striations and debris in the implant threads. Micro-movements were higher for the group submitted to intentional disconnection and reconnection of the abutment, particularly under average bite forces. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Effects of electron irradiation on LDPE/MWCNT composites

NASA Astrophysics Data System (ADS)

Yang, Jianqun; Li, Xingji; Liu, Chaoming; Rui, Erming; Wang, Liqin

2015-12-01

In this study, mutiwalled carbon nanotubes (MWCNTs) were incorporated into low density polyethylene (LDPE) in different concentrations (2%, 4% and 8%) using a melt blending process. Structural, thermal stability and tensile property of the unirradiated/irradiated LDPE/MWCNT composites by 110 keV electrons were investigated by means of scanning electron microscopy (SEM), small angle X-ray scattering (SAXS), Raman spectroscopy, electron paramagnetic resonance (EPR) spectroscopy, thermogravimetric analysis (TGA) and uniaxial tensile techniques. Experimental results show that the addition of MWCNTs obviously increases the ultimate tensile strength of LDPE and decreases the elongation at break, which is attributed to the homogeneous distribution of the MWCNTs in LDPE and intense interaction between MWCNTs and LDPE matrix. Also, the electron irradiation further increases the ultimate tensile strength of LDPE/MWCNT composites, which can be ascribed to the more intense interaction between MWCNTs and LDPE matrix, and the formation of crosslinking sites in LDPE matrix induced by the electron irradiation. The addition of MWCNTs significantly enhances thermal stability of the LDPE due to the hindering effect and the scavenging free radicals, while the electron irradiation decreases thermal stability of the LDPE/MWCNT composites since the structure of the MWCNTs and LDPE matrix damages.

Understanding boron through size-selected clusters: structure, chemical bonding, and fluxionality.

PubMed

Sergeeva, Alina P; Popov, Ivan A; Piazza, Zachary A; Li, Wei-Li; Romanescu, Constantin; Wang, Lai-Sheng; Boldyrev, Alexander I

2014-04-15

Boron is an interesting element with unusual polymorphism. While three-dimensional (3D) structural motifs are prevalent in bulk boron, atomic boron clusters are found to have planar or quasi-planar structures, stabilized by localized two-center-two-electron (2c-2e) σ bonds on the periphery and delocalized multicenter-two-electron (nc-2e) bonds in both σ and π frameworks. Electron delocalization is a result of boron's electron deficiency and leads to fluxional behavior, which has been observed in B13(+) and B19(-). A unique capability of the in-plane rotation of the inner atoms against the periphery of the cluster in a chosen direction by employing circularly polarized infrared radiation has been suggested. Such fluxional behaviors in boron clusters are interesting and have been proposed as molecular Wankel motors. The concepts of aromaticity and antiaromaticity have been extended beyond organic chemistry to planar boron clusters. The validity of these concepts in understanding the electronic structures of boron clusters is evident in the striking similarities of the π-systems of planar boron clusters to those of polycyclic aromatic hydrocarbons, such as benzene, naphthalene, coronene, anthracene, or phenanthrene. Chemical bonding models developed for boron clusters not only allowed the rationalization of the stability of boron clusters but also lead to the design of novel metal-centered boron wheels with a record-setting planar coordination number of 10. The unprecedented highly coordinated borometallic molecular wheels provide insights into the interactions between transition metals and boron and expand the frontier of boron chemistry. Another interesting feature discovered through cluster studies is boron transmutation. Even though it is well-known that B(-), formed by adding one electron to boron, is isoelectronic to carbon, cluster studies have considerably expanded the possibilities of new structures and new materials using the B(-)/C analogy. It is believed that the electronic transmutation concept will be effective and valuable in aiding the design of new boride materials with predictable properties. The study of boron clusters with intermediate properties between those of individual atoms and bulk solids has given rise to a unique opportunity to broaden the frontier of boron chemistry. Understanding boron clusters has spurred experimentalists and theoreticians to find new boron-based nanomaterials, such as boron fullerenes, nanotubes, two-dimensional boron, and new compounds containing boron clusters as building blocks. Here, a brief and timely overview is presented addressing the recent progress made on boron clusters and the approaches used in the authors' laboratories to determine the structure, stability, and chemical bonding of size-selected boron clusters by joint photoelectron spectroscopy and theoretical studies. Specifically, key findings on all-boron hydrocarbon analogues, metal-centered boron wheels, and electronic transmutation in boron clusters are summarized.

Understanding Boron through Size-Selected Clusters: Structure, Chemical Bonding, and Fluxionality

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

Sergeeva, Alina P.; Popov, Ivan A.; Piazza, Zachary A.

Conspectus Boron is an interesting element with unusual polymorphism. While three-dimensional (3D) structural motifs are prevalent in bulk boron, atomic boron clusters are found to have planar or quasi-planar structures, stabilized by localized two-center–two-electron (2c–2e) σ bonds on the periphery and delocalized multicenter–two-electron (nc–2e) bonds in both σ and π frameworks. Electron delocalization is a result of boron’s electron deficiency and leads to fluxional behavior, which has been observed in B13+ and B19–. A unique capability of the in-plane rotation of the inner atoms against the periphery of the cluster in a chosen direction by employing circularly polarized infrared radiationmore » has been suggested. Such fluxional behaviors in boron clusters are interesting and have been proposed as molecular Wankel motors. The concepts of aromaticity and antiaromaticity have been extended beyond organic chemistry to planar boron clusters. The validity of these concepts in understanding the electronic structures of boron clusters is evident in the striking similarities of the π-systems of planar boron clusters to those of polycyclic aromatic hydrocarbons, such as benzene, naphthalene, coronene, anthracene, or phenanthrene. Chemical bonding models developed for boron clusters not only allowed the rationalization of the stability of boron clusters but also lead to the design of novel metal-centered boron wheels with a record-setting planar coordination number of 10. The unprecedented highly coordinated borometallic molecular wheels provide insights into the interactions between transition metals and boron and expand the frontier of boron chemistry. Another interesting feature discovered through cluster studies is boron transmutation. Even though it is well-known that B–, formed by adding one electron to boron, is isoelectronic to carbon, cluster studies have considerably expanded the possibilities of new structures and new materials using the B–/C analogy. It is believed that the electronic transmutation concept will be effective and valuable in aiding the design of new boride materials with predictable properties. The study of boron clusters with intermediate properties between those of individual atoms and bulk solids has given rise to a unique opportunity to broaden the frontier of boron chemistry. Understanding boron clusters has spurred experimentalists and theoreticians to find new boron-based nanomaterials, such as boron fullerenes, nanotubes, two-dimensional boron, and new compounds containing boron clusters as building blocks. Here, a brief and timely overview is presented addressing the recent progress made on boron clusters and the approaches used in the authors’ laboratories to determine the structure, stability, and chemical bonding of size-selected boron clusters by joint photoelectron spectroscopy and theoretical studies. Specifically, key findings on all-boron hydrocarbon analogues, metal-centered boron wheels, and electronic transmutation in boron clusters are summarized.« less

Modulation of electronic and magnetic properties in InSe nanoribbons: edge effect

NASA Astrophysics Data System (ADS)

Wu, Meng; Shi, Jun-jie; Zhang, Min; Ding, Yi-min; Wang, Hui; Cen, Yu-lang; Guo, Wen-hui; Pan, Shu-hang; Zhu, Yao-hui

2018-05-01

Quite recently, the two-dimensional (2D) InSe nanosheet has become a hot material with great promise for advanced functional nano-devices. In this work, for the first time, we perform first-principles calculations on the structural, electronic, magnetic and transport properties of 1D InSe nanoribbons with/without hydrogen or halogen saturation. We find that armchair ribbons, with various edges and distortions, are all nonmagnetic semiconductors, with a direct bandgap of 1.3 (1.4) eV for bare (H-saturated) ribbons, and have the same high electron mobility of about 103 cm2V‑1s‑1 as the 2D InSe nanosheet. Zigzag InSe nanoribbons exhibit metallic behavior and diverse intrinsic ferromagnetic properties, with the magnetic moment of 0.5–0.7 μ B per unit cell, especially for their single-edge spin polarization. The edge spin orientation, mainly dominated by the unpaired electrons of the edge atoms, depends sensitively on the edge chirality. Hydrogen or halogen saturation can effectively recover the structural distortion, and modulate the electronic and magnetic properties. The binding energy calculations show that the stability of InSe nanoribbons is analogous to that of graphene and better than in 2D InSe nanosheets. These InSe nanoribbons, with novel electronic and magnetic properties, are thus very promising for use in electronic, spintronic and magnetoresistive nano-devices.

Modulation of electronic and magnetic properties in InSe nanoribbons: edge effect.

PubMed

Wu, Meng; Shi, Jun-Jie; Zhang, Min; Ding, Yi-Min; Wang, Hui; Cen, Yu-Lang; Guo, Wen-Hui; Pan, Shu-Hang; Zhu, Yao-Hui

2018-05-18

Quite recently, the two-dimensional (2D) InSe nanosheet has become a hot material with great promise for advanced functional nano-devices. In this work, for the first time, we perform first-principles calculations on the structural, electronic, magnetic and transport properties of 1D InSe nanoribbons with/without hydrogen or halogen saturation. We find that armchair ribbons, with various edges and distortions, are all nonmagnetic semiconductors, with a direct bandgap of 1.3 (1.4) eV for bare (H-saturated) ribbons, and have the same high electron mobility of about 10 3 cm 2 V -1 s -1 as the 2D InSe nanosheet. Zigzag InSe nanoribbons exhibit metallic behavior and diverse intrinsic ferromagnetic properties, with the magnetic moment of 0.5-0.7 μ B per unit cell, especially for their single-edge spin polarization. The edge spin orientation, mainly dominated by the unpaired electrons of the edge atoms, depends sensitively on the edge chirality. Hydrogen or halogen saturation can effectively recover the structural distortion, and modulate the electronic and magnetic properties. The binding energy calculations show that the stability of InSe nanoribbons is analogous to that of graphene and better than in 2D InSe nanosheets. These InSe nanoribbons, with novel electronic and magnetic properties, are thus very promising for use in electronic, spintronic and magnetoresistive nano-devices.

Effects of electron doping on the stability of the metal hydride NaH

NASA Astrophysics Data System (ADS)

Olea-Amezcua, M. A.; Rivas-Silva, J. F.; de la Peña-Seaman, O.; Heid, R.; Bohnen, K. P.

2017-04-01

Alkali and alkali-earth metal hydrides have high volumetric and gravimetric hydrogen densities, but due to their high thermodynamic stability, they possess high dehydrogenation temperatures which may be reduced by transforming these compounds into less stable states/configurations. We present a systematic computational study of the electron doping effects on the stability of the alkali metal hydride NaH substituted with Mg, using the self-consistent version of the virtual crystal approximation to model the alloy Na1-x Mg x H. The phonon dispersions were studied paying special attention to the crystal stability and the correlations with the electronic structure taking into account the zero point energy contribution. We found that substitution of Na by Mg in the hydride invokes a reduction of the frequencies, leading to dynamical instabilities for Mg content of 25%. The microscopic origin of these instabilities could be related to the formation of ellipsoidal Fermi surfaces centered at the L point due to the metallization of the hydride by the Mg substitution. Applying the quasiharmonic approximation, thermodynamic properties like heat capacities, vibrational entropies and vibrational free energies as a function of temperature at zero pressure are obtained. These properties determine an upper temperature for the thermodynamic stability of the hydride, which decreases from 600 K for NaH to 300 K at 20% Mg concentration. This significant reduction of the stability range indicates that dehydrogenation could be favoured by electron doping of NaH.

Short-range stabilizing potential for computing energies and lifetimes of temporary anions with extrapolation methods.

PubMed

Sommerfeld, Thomas; Ehara, Masahiro

2015-01-21

The energy of a temporary anion can be computed by adding a stabilizing potential to the molecular Hamiltonian, increasing the stabilization until the temporary state is turned into a bound state, and then further increasing the stabilization until enough bound state energies have been collected so that these can be extrapolated back to vanishing stabilization. The lifetime can be obtained from the same data, but only if the extrapolation is done through analytic continuation of the momentum as a function of the square root of a shifted stabilizing parameter. This method is known as analytic continuation of the coupling constant, and it requires--at least in principle--that the bound-state input data are computed with a short-range stabilizing potential. In the context of molecules and ab initio packages, long-range Coulomb stabilizing potentials are, however, far more convenient and have been used in the past with some success, although the error introduced by the long-rang nature of the stabilizing potential remains unknown. Here, we introduce a soft-Voronoi box potential that can serve as a short-range stabilizing potential. The difference between a Coulomb and the new stabilization is analyzed in detail for a one-dimensional model system as well as for the (2)Πu resonance of CO2(-), and in both cases, the extrapolation results are compared to independently computed resonance parameters, from complex scaling for the model, and from complex absorbing potential calculations for CO2(-). It is important to emphasize that for both the model and for CO2(-), all three sets of results have, respectively, been obtained with the same electronic structure method and basis set so that the theoretical description of the continuum can be directly compared. The new soft-Voronoi-box-based extrapolation is then used to study the influence of the size of diffuse and the valence basis sets on the computed resonance parameters.

Electrolytes for Hydrocarbon Air Fuel Cells.

DTIC Science & Technology

1981-01-01

finding an electrolyte with sufficient electrochemical activity and stability to replace phosphoric acid in direct oxidation fuel cells. Commercially...and stability to replace phosphoric acid in direct oxidation fuel cells. Commercially available materials received prime consideration. However, ECO’s...was to obtain an electrolyte with sufficient electrochemical activity and stability to replace phosphoric acid in direct oxidation fuel cells. This

Thickness determination of large-area films of yttria-stabilized zirconia produced by pulsed laser deposition

NASA Astrophysics Data System (ADS)

Pryds, N.; Toftmann, B.; Bilde-Sørensen, J. B.; Schou, J.; Linderoth, S.

2006-04-01

Films of yttria-stabilized zirconia (YSZ) on a polished silicon substrate of diameter up to 125 mm have been produced in a large-area pulsed laser deposition (PLD) setup under typical PLD conditions. The film thickness over the full film area has been determined by energy-dispersive X-ray spectrometry in a scanning electron microscope (SEM) with use of a method similar to one described by Bishop and Poole. The attenuation of the electron-induced X-rays from the Si wafer by the film was monitored at a number of points along a diameter and the thickness was determined by Monte Carlo simulations of the attenuation for various values of film thickness with the program CASINO. These results have been compared with direct measurements in the SEM of the film thickness on a cross-section on one of the wafers. The results of these measurements demonstrate the ability of this technique to accurately determine the thickness of a large film, i.e. up to diameters of 125 mm, in a relatively short time, without destroying the substrate, without the need of a standard sample and without the need of a flat substrate. We have also demonstrated that by controlling the deposition parameters large-area YSZ films with uniform thickness can be produced.

Design and Calibration of an RF Actuator for Low-Level RF Systems

NASA Astrophysics Data System (ADS)

Geng, Zheqiao; Hong, Bo

2016-02-01

X-ray free electron laser (FEL) machines like the Linac Coherent Light Source (LCLS) at SLAC require high-quality electron beams to generate X-ray lasers for various experiments. Digital low-level RF (LLRF) systems are widely used to control the high-power RF klystrons to provide a highly stable RF field in accelerator structures for beam acceleration. Feedback and feedforward controllers are implemented in LLRF systems to stabilize or adjust the phase and amplitude of the RF field. To achieve the RF stability and the accuracy of the phase and amplitude adjustment, low-noise and highly linear RF actuators are required. Aiming for the upgrade of the S-band Linac at SLAC, an RF actuator is designed with an I/Qmodulator driven by two digital-to-analog converters (DAC) for the digital LLRF systems. A direct upconversion scheme is selected for RF actuation, and an on-line calibration algorithm is developed to compensate the RF reference leakage and the imbalance errors in the I/Q modulator, which may cause significant phase and amplitude actuation errors. This paper presents the requirements on the RF actuator, the design of the hardware, the calibration algorithm, and the implementation in firmware and software and the test results at LCLS.

Contribution of Electrostatics to the Kinetics of Electron Transfer from NADH-Cytochrome b5 Reductase to Fe(III)-Cytochrome b5.

PubMed

Kollipara, Sireesha; Tatireddy, Shivakishore; Pathirathne, Thusitha; Rathnayake, Lasantha K; Northrup, Scott H

2016-08-25

Brownian dynamics (BD) simulations provide here a theoretical atomic-level treatment of the reduction of human ferric cytochrome b5 (cyt b5) by NADH-cytochrome b5 reductaste (cyt b5r) and several of its mutants. BD is used to calculate the second-order rate constant of electron transfer (ET) between the proteins for direct correlation with experiments. Interestingly, the inclusion of electrostatic forces dramatically increases the reaction rate of the native proteins despite the overall negative charge of both proteins. The role played by electrostatic charge distribution in stabilizing the ET complexes and the role of mutations of several amino acid residues in stabilizing or destabilizing the complexes are analyzed. The complex with the shortest ET reaction distance (d = 6.58 Å) from rigid body BD is further subjected to 1 ns of molecular dynamics (MD) in a periodic box of TIP3P water to produce a more stable complex allowed by flexibility and with a shorter average reaction distance d = 6.02 Å. We predict a docking model in which the following ion-ion interactions are dominant (cyt b5r/cyt b5): Lys162-Heme O1D/Lys163-Asp64/Arg91-Heme O1A/Lys125-Asp70.

Density Functional Studies of Stoichiometric Surfaces of Orthorhombic Hybrid Perovskite CH3NH3PbI3

DOE PAGES

Wang, Yun; Huang, Jingsong; Sumpter, Bobby G.; ...

2014-12-19

Organic/inorganic hybrid perovskite materials are highly attractive for dye-sensitized solar cells as demonstrated by their rapid advances in energy conversion efficiency. In this work, the structures, energetics, and electronic properties for a range of stoichiometric surfaces of the orthorhombic perovskite CH3NH3PbI3 are theoretically studied using density functional theory. Various possible spatially and constitutionally isomeric surfaces are considered by diversifying the spatial orientations and connectivities of surface Pb-I bonds. The comparison of the surface energies for the most stable configurations identified for various surfaces shows that the stabilities of stoichiometric surfaces are mainly dictated by the coordination numbers of surface atoms,more » which are directly correlated with the numbers of broken bonds. Additionally, Coulombic interactions between I anions and organic countercations on the surface also contribute to the stabilization. Electronic properties are compared between the most stable (100) surface and the bulk phase, showing generally similar features except for the lifted band degeneracy and the enhanced bandgap energy for the surface. These studies on the stoichiometric surfaces serve as the first step toward gaining a fundamental understanding of the interfacial properties in the current structural design of perovskite based solar cells, in order to achieve further breakthroughs in solar conversion efficiencies.« less

Enhancement of soft X-ray reflectivity and interface stability in nitridated Pd/Y multilayer mirrors.

PubMed

Xu, Dechao; Huang, Qiushi; Wang, Yiwen; Li, Pin; Wen, Mingwu; Jonnard, Philippe; Giglia, Angelo; Kozhevnikov, Igor V; Wang, Kun; Zhang, Zhong; Wang, Zhanshan

2015-12-28

Pd/Y multilayer mirrors operating in the soft X-ray region are characterized by a high theoretical reflectance, reaching 65% at normal incidence in the 8-12 nm wavelength range. However, a severe intermixing of neighboring Pd and Y layers results in an almost total disappearance of the interfaces inside the multilayer structures fabricated by direct current magnetron sputtering and thus a dramatic reflectivity decrease. Based on grazing incidence X-ray reflectometry and X-ray photoelectron spectroscopy, we demonstrate that the stability of the interfaces in Pd/Y multilayer structures can be essentially improved by adding a small amount of nitrogen (4-8%) to the working gas (Ar). High resolution transmission electron microscopy shows that the interlayer width is only 0.9 nm and 0.6 nm for Y(N)-on-Pd(N) and Pd(N)-on-Y(N) interfaces, respectively. A well-defined crystalline texture of YN (200) is observed on the electron diffraction pattern. As a result, the measured reflectance of the Pd(N)/Y(N) multilayer achieves 30% at λ = 9.3 nm. The peak reflectivity value is limited by the remaining interlayers and the formation of the YN compound inside the yttrium layers, resulting in an increased absorption.

GeAs and SiAs monolayers: Novel 2D semiconductors with suitable band structures

NASA Astrophysics Data System (ADS)

Zhou, Liqin; Guo, Yu; Zhao, Jijun

2018-01-01

Two dimensional (2D) materials provide a versatile platform for nanoelectronics, optoelectronics and clean energy conversion. Based on first-principles calculations, we propose a novel kind of 2D materials - GeAs and SiAs monolayers and investigate their atomic structure, thermodynamic stability, and electronic properties. The calculations show that monolayer GeAs and SiAs sheets are energetically and dynamically stable. Their small interlayer cohesion energies (0.191 eV/atom for GeAs and 0.178 eV/atom for SiAs) suggest easy exfoliation from the bulk solids that exist in nature. As 2D semiconductors, GeAs and SiAs monolayers possess band gap of 2.06 eV and 2.50 eV from HSE06 calculations, respectively, while their band gap can be further engineered by the number of layers. The relatively small and anisotropic carrier effective masses imply fast electric transport in these 2D semiconductors. In particular, monolayer SiAs is a direct gap semiconductor and a potential photocatalyst for water splitting. These theoretical results shine light on utilization of monolayer or few-layer GeAs and SiAs materials for the next-generation 2D electronics and optoelectronics with high performance and satisfactory stability.

Structural and electronic properties of rectangular CdTe nanowire: A DST study

NASA Astrophysics Data System (ADS)

Khan, Md. Shahzad; Bhatia, Manjeet; Srivastava, Anurag

2018-05-01

CdTe rectangular nanowire of different diameter in zinc-blende phase is investigated using density functional theory. Enhancement of diameter increased stability and improved electronic qualities suitable for device purpose applications. Cohesive energy per atom enhanced on enlarging diameter advocating the stability. Large diameter nanowire (22.62Å) exhibits bandgap of 1.21eV and electronic effective mass is observed to be 0.51me. The bonding between Cd-Te atoms are predominantly observed as covalent assuring its inertness towards moisture.

Microstructural stability of wrought, laser and electron beam glazed NARloy-Z alloy at elevated temperatures

NASA Technical Reports Server (NTRS)

Singh, J.; Jerman, G.; Bhat, B.; Poorman, R.

1993-01-01

Microstructure of wrought, laser, and electron-beam glazed NARloy-Z(Cu-3 wt.% Ag-0.5 wt.% Zr) was investigated for thermal stability at elevated temperatures (539 to 760 C (1,100 to 1,400 F)) up to 94 h. Optical and scanning electron microscopy and electron probe microanalysis were employed for studying microstructural evolution and kinetics of precipitation. Grain boundary precipitation and precipitate free zones (PFZ's) were observed in the wrought alloy after exposing to temperatures above 605 C (1,120 F). The fine-grained microstructure observed in the laser and electron-beam glazed NARloy-Z was much more stable at elevated temperatures. Microstructural changes correlated well with hardness measurements.

Thermal stability of intermetallic phases in Fe-rich Fe-Cr-Ni-Mo alloys

DOE PAGES

Yang, Ying; Tan, Lizhen; Busby, Jeremy T.

2015-06-12

Understanding the stability of precipitate phases in the Fe-rich Fe-Cr-Ni-Mo alloys is critical to the alloy design and application of Mo-containing Austenitic steels. Coupled with thermodynamic modeling, stability of the chi and Laves phases in two Fe-Cr-Ni-Mo alloys were investigated at 1000, 850 and 700 °C for different annealing time. The morphologies, compositions and crystal structures of the matrix and precipitate phases were carefully examined by Scanning Electron Microscopy, Electron Probe Microanalysis, X-ray diffraction and Transmission Electron Microscopy. The two key findings resulted from this work. One is that the chi phase is stable at high temperature and transformed intomore » the Laves phase at low temperature. The other is that both the chi and Laves phases have large solubilites of Cr, Mo and Ni, among which the Mo solubility has a major role on the relative stability of the precipitate phases. The developed thermodynamic models were then applied to evaluating the Mo effect on the stability of precipitate phases in AISI 316 and NF709 alloys.« less

Insights into the redox components of dissolved organic matters during stabilization process.

PubMed

Yuan, Ying; Xi, Bei-Dou; He, Xiao-Song; Ma, Yan; Zhang, Hui; Li, Dan; Zhao, Xin-Yu

2018-05-01

The changes of dissolved organic matter (DOM) components during stabilization process play significant effects on its redox properties but are little reported. Composting is a stabilization process of DOM, during which both the components and electron transfer capacities (ETCs) of DOM change. The redox components within compost-derived DOM during the stabilization process are investigated in this study. The results show that compost-derived DOM contained protein-like, fulvic-like, and humic-like components. The protein-like component decreases during composting, whereas the fulvic- and humic-like components increase during the process. The electron-donating capacity (EDC), electron-accepting capacity (EAC), and ETC of compost-derived DOM all increase during composting but their correlations with the components presented significant difference. The humic-like components were the main functional component responsible for both EDC and ETC, whereas the protein- and fluvic-like components show negative effects with the EAC, EDC, and ETC, suggesting that the components within DOM have specific redox properties during the stabilization process. These findings are very meaningful for better understanding the geochemical behaviors of DOM in the environment.

Atomic clocks based on extened-cavity diode laser in multimode operation

NASA Astrophysics Data System (ADS)

Yim, Sin; Cho, D.

2011-05-01

We demonstrated the possibilities to develope an atomic clock based on coherent population trapping (CPT) without using a local oscillator and a modulator. Instead of using a modulator, we use two modes from a single extended-cavity diode laser in multimode operation. Two different types of feedback system are applied to stabilize a difference frequency between the two modes and eliminate the need for an extra frequency modulation. In the first type, we employ an electronic feedback using dispersion of the CPT resonance as an error signal. The two modes are phase locked with reference to a dispersion signal from a CPT resonance of 85Rb at 3.036 GHz ground hyperfine splitting. We use D1 transition at 794.8 nm with lin ⊥lin polarizations to obtain large-contrast CPT signal. Allan deviation of the beat frequency between the two modes is 1 ×10-10 at 200-s integration time. In the second type, we employ optoelectronic feedback to construct an opto-electronic oscillator (OEO). In an OEO, the beating signal between two modes is recovered by a fast photodiode, and its output is amplified and fed back to the laser diode by using a direct modulation of an injection current. When the OEO loop is closed, oscillation frequency depends on variations of the loop length. In order to stabilize an OEO loop length and thereby its oscillation frequency, CPT cell is inserted to play a role of microwave band pass filter. Allan deviation of the CPT-stabilized OEO is 2 ×10-10 at 100-s integration time.

Pressure profiles of plasmas confined in the field of a dipole magnet

NASA Astrophysics Data System (ADS)

Davis, Matthew Stiles

Understanding the maintenance and stability of plasma pressure confined by a strong magnetic field is a fundamental challenge in both laboratory and space plasma physics. Using magnetic and X-ray measurements on the Levitated Dipole Experiment (LDX), the equilibrium plasma pressure has been reconstructed, and variations of the plasma pressure for different plasma conditions have been examined. The relationship of these profiles to the magnetohydrodynamic (MHD) stability limit, and to the enhanced stability limit that results from a fraction of energetic trapped electrons, has been analyzed. In each case, the measured pressure profiles and the estimated fractional densities of energetic electrons were qualitatively consistent with expectations of plasma stability. LDX confines high temperature and high pressure plasma in the field of a superconducting dipole magnet. The strong dipole magnet can be either mechanically supported or magnetically levitated. When the dipole was mechanically supported, the plasma density profile was generally uniform while the plasma pressure was highly peaked. The uniform density was attributed to the thermal plasma being rapidly lost along the field to the mechanical supports. In contrast, the strongly peaked plasma pressure resulted from a fraction of energetic, mirror trapped electrons created by microwave heating at the electron cyclotron resonance (ECRH). These hot electrons are known to be gyrokinetically stabilized by the background plasma and can adopt pressure profiles steeper than the MHD limit. X-ray measurements indicated that this hot electron population could be described by an energy distribution in the range 50-100 keV. Combining information from the magnetic reconstruction of the pressure profile, multi-chord interferometer measurements of the electron density profile, and X-ray measurements of the hot electron energy distribution, the fraction of energetic electrons at the pressure peak was estimated to be ˜ 35% of the total electron population. When the dipole was magnetically levitated the plasma density increased substantially because particle losses to the mechanical supports were eliminated so particles could only be lost via slower cross-field transport processes. The pressure profile was observed to be broader during levitated operation than it was during supported operation, and the pressure appeared to be contained in both a thermal population and an energetic electron population. X-ray spectra indicated that the X-rays came from a similar hot electron population during levitated and supported operation; however, the hot electron fraction was an order of magnitude smaller during levitated operation (<3% of the total electron population). Pressure gradients for both supported and levitated plasmas were compared to the MHD limit. Levitated plasmas had pressure profiles that were (i) steeper than, (ii) shallower than, or (iii) near the MHD limit dependent on plasma conditions. However, those profiles that exceeded the MHD limit were observed to have larger fractions of energetic electrons. When the dipole magnet was supported, high pressure plasmas always had profiles that exceeded the MHD interchange stability limit, but the high pressure in these plasmas appeared to arise entirely from a population of energetic trapped electrons.

Cerium phosphate nanotubes: synthesis, characterization and biosensing

NASA Astrophysics Data System (ADS)

Meng, Ling; Yang, Lige; Zhou, Bo; Cai, Chenxin

2009-01-01

Cerium phosphate (CeP) nanotubes have been synthesized and confirmed by x-ray diffraction (XRD) and transmission electron microscopy (TEM). The 1D nanomaterial has a monoclinic crystal structure with a mean width of 15-20 nm and a length up to several micrometers. The nanotubes have been employed as electrode substrates for immobilization and direct electrochemistry of heme proteins/enzymes with myoglobin (Mb) as a model. The electrochemical characteristics of the Mb-CeP/GC electrode were studied by voltammetry. After being immobilized on the nanotubes, Mb can keep its natural structure and undergo effective direct electron transfer reaction with a pair of well-defined redox peaks at -(367 ± 3) mV (pH 7.5). The apparent electron transfer rate constant is (9.1 ± 1.4) s-1. The electrode displays good features in the electrocatalytic reduction of H2O2, and thus can be used as a biosensor for detecting the substrate with a low detection limit (0.5 ± 0.05 µM), a wide linear range (0.01-2 mM), high sensitivity (14.4 ± 1.2 µA mM-1), as well as good stability and reproducibility. CeP nanotubes can become a simple and effective biosensing platform for the integration of heme proteins/enzymes and electrodes, which can provide analytical access to a large group of enzymes for a wide range of bioelectrochemical applications.

Vertically aligned carbon nanotubes/carbon fiber paper composite to support Pt nanoparticles for direct methanol fuel cell application

NASA Astrophysics Data System (ADS)

Zhang, Jing; Yi, Xi-bin; Liu, Shuo; Fan, Hui-Li; Ju, Wei; Wang, Qi-Chun; Ma, Jie

2017-03-01

Vertically aligned carbon nanotubes (VACNTs) grown on carbon fiber paper (CFP) by plasma enhanced chemical vapor deposition is introduced as a catalyst support material for direct methanol fuel cells (DMFCs). Well dispersed Pt nanoparticles on VACNTs surface are prepared by impregnation-reduction method. The VACNTs on CFP possess well-maintained alignment, large surface area and good electrical conductivity, which leading to the formation of Pt particles with a smaller size and enhance the Pt utilization rate. The structure and nature of resulting Pt/VACNTs/CFP catalysts for methanol oxidation are investigated by transmission electron microscopy (TEM), X-ray diffraction (XRD) and scanning electron microscope (SEM). With the aid of VACNTs, well-dispersed Pt catalysts enable the reversibly rapid redox kinetic since electron transport efficiently passes through a one-dimensional pathway, which leads to enhance the catalytic activity and Pt utilization rate. Compared with the Pt/XC-72/CFP electrode, the electrochemical measurements results display that the Pt/VACNTs/CFP catalyst shows much higher electrocatalytic activity and better stability for methanol oxidation. In addition, the oxidation current from 200 to 1200 s decayed more slowly for the Pt/VACNTs/CFP than that of the Pt/XC-72/CFP catalysts, indicating less accumulation of adsorbed CO species. All those results imply that the Pt/VACNTs/CFP has a great potential for applications in DMFCs.

The Self-esteem Stability Scale (SESS) for Cross-Sectional Direct Assessment of Self-esteem Stability

PubMed Central

Altmann, Tobias; Roth, Marcus

2018-01-01

Self-esteem stability describes fluctuations in the level of self-esteem experienced by individuals over a brief period of time. In recent decades, self-esteem stability has repeatedly been shown to be an important variable affecting psychological functioning. However, measures of self-esteem stability are few and lacking in validity. In this paper, we present the Self-Esteem Stability Scale (SESS), a unidimensional and very brief scale to directly assess self-esteem stability. In four studies (total N = 826), we describe the development of the SESS and present evidence for its validity with respect to individual outcomes (life satisfaction, neuroticism, and vulnerable narcissism) and dyadic outcomes (relationship satisfaction in self- and partner ratings) through direct comparisons with existing measures. The new SESS proved to be a stronger predictor than the existing scales and had incremental validity over and above self-esteem level. The results also showed that all cross-sectional measures of self-esteem stability were only moderately associated with variability in self-esteem levels assessed longitudinally with multiple administrations of the Rosenberg Self-Esteem Scale. We discuss this validity issue, arguing that direct and indirect assessment approaches measure relevant, yet different aspects of self-esteem stability. PMID:29487551

The Self-esteem Stability Scale (SESS) for Cross-Sectional Direct Assessment of Self-esteem Stability.

PubMed

Altmann, Tobias; Roth, Marcus

2018-01-01

Self-esteem stability describes fluctuations in the level of self-esteem experienced by individuals over a brief period of time. In recent decades, self-esteem stability has repeatedly been shown to be an important variable affecting psychological functioning. However, measures of self-esteem stability are few and lacking in validity. In this paper, we present the Self-Esteem Stability Scale (SESS), a unidimensional and very brief scale to directly assess self-esteem stability. In four studies (total N = 826), we describe the development of the SESS and present evidence for its validity with respect to individual outcomes (life satisfaction, neuroticism, and vulnerable narcissism) and dyadic outcomes (relationship satisfaction in self- and partner ratings) through direct comparisons with existing measures. The new SESS proved to be a stronger predictor than the existing scales and had incremental validity over and above self-esteem level. The results also showed that all cross-sectional measures of self-esteem stability were only moderately associated with variability in self-esteem levels assessed longitudinally with multiple administrations of the Rosenberg Self-Esteem Scale. We discuss this validity issue, arguing that direct and indirect assessment approaches measure relevant, yet different aspects of self-esteem stability.

Electronic circuit delivers pulse of high interval stability

NASA Technical Reports Server (NTRS)

Fisher, B.

1966-01-01

Circuit generates a pulse of high interval stability with a complexity level considerably below systems of comparable stability. This circuit is being used as a linear frequency discriminator in the signal conditioner of the Apollo command module.

Interfacial Characteristics and Cytocompatibility of Hydraulic Sealer Cements.

PubMed

Kebudi Benezra, Mira; Schembri Wismayer, Pierre; Camilleri, Josette

2018-06-01

The stability and long-term success of root canal obturation depends on the choice of sealer because the sealer bonds to the dentin and stabilizes the solid cone. Furthermore, the sealer needs to be nontoxic because sealer toxicity will certainly lead to treatment failure. The aim of this study was to assess the sealer-dentin interface of 3 hydraulic root canal sealers and to evaluate their cytocompatibility compared with AH Plus (Dentsply DeTrey GmbH, Konstanz, Germany). Four dental root canal sealers were assessed. AH Plus, MTA Fillapex (Angelus, Londrina, Brazil), BioRoot RCS (Septodont, Saint-Maur-des-Fossés, France), and Endoseal (Maruchi, Wonju-si, Gangwon-do, South Korea) were characterized using scanning electron microscopy and energy-dispersive spectroscopy. The sealer-tooth interface was assessed by confocal microscopy and scanning electron microscopy, and biocompatibility was measured by assessing the cell metabolic function using direct contact assays and alkaline phosphatase activity. The tricalcium silicate-based sealers presented a different microstructure and elemental composition despite their similar chemistry and classification. BioRoot RCS was free of aluminum, and all sealers presented different radiopacifying elements. The sealer penetration in the dentinal tubules and interfacial characteristics were different. The migration of silicon was evident from sealer to tooth for all sealers containing tricalcium silicate. MTA Fillapex and BioRoot RCS exhibited the best cytocompatibility in both the direct contact test and alkaline phosphatase activity. The use of hydraulic calcium silicate-based sealers has introduced a different material type to endodontics. These materials are different than other sealers mostly because of their hydraulic nature and their interaction with the environment. Although the sealers tested had a similar chemistry, their cytocompatibility and bonding mechanisms were diverse. Copyright © 2017 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

Three degree-of-freedom force feedback control for robotic mating of umbilical lines

NASA Technical Reports Server (NTRS)

Fullmer, R. Rees

1988-01-01

The use of robotic manipulators for the mating and demating of umbilical fuel lines to the Space Shuttle Vehicle prior to launch is investigated. Force feedback control is necessary to minimize the contact forces which develop during mating. The objective is to develop and demonstrate a working robotic force control system. Initial experimental force control tests with an ASEA IRB-90 industrial robot using the system's Adaptive Control capabilities indicated that control stability would by a primary problem. An investigation of the ASEA system showed a 0.280 second software delay between force input commands and the output of command voltages to the servo system. This computational delay was identified as the primary cause of the instability. Tests on a second path into the ASEA's control computer using the MicroVax II supervisory computer show that time delay would be comparable, offering no stability improvement. An alternative approach was developed where the digital control system of the robot was disconnected and an analog electronic force controller was used to control the robot's servosystem directly, allowing the robot to use force feedback control while in rigid contact with a moving three-degree-of-freedom target. An alternative approach was developed where the digital control system of the robot was disconnected and an analog electronic force controller was used to control the robot's servo system directly. This method allowed the robot to use force feedback control while in rigid contact with moving three degree-of-freedom target. Tests on this approach indicated adequate force feedback control even under worst case conditions. A strategy to digitally-controlled vision system was developed. This requires switching between the digital controller when using vision control and the analog controller when using force control, depending on whether or not the mating plates are in contact.

Long time stability of lamps with nanostructural carbon field emission cathodes

NASA Astrophysics Data System (ADS)

Kalenik, J.; Firek, P.; Szmidt, J.; Czerwosz, E.; Kozłowski, M.; Stepińska, I.; Wódka, T.

2017-08-01

A luminescent lamp with field emission cathode was constructed and tested. Phosphor excited by electrons from field emission cathode is the source of light. The cathode is covered with nickel-carbon film containing multilayer carbon nanotubes that enhance electron emission from the cathode. Results of luminance stability measurements are presented. Luminance of elaborated luminance lamp is high enough for lighting application. Long term stability (1000 hours) is satisfactory for mass lamp application. Initial short time decrease of luminance is still too high and it needs reduction.

Influence of miscut Y2O3-stabilized ZrO2 substrates on the azimuthal domain structure and ferroelectric properties of epitaxial La-substituted Bi4Ti3O12 films

NASA Astrophysics Data System (ADS)

Lee, Sung Kyun; Hesse, Dietrich; Gösele, Ulrich; Lee, Ho Nyung

2006-09-01

We have investigated the influence of both miscut angle and miscut direction of Y2O3-stabilized ZrO2 (YSZ) (100) single crystal substrates on the azimuthal domain structure of SrRuO3 electrode layers as well as of La-substituted Bi4Ti3O12 (BLT) ferroelectric thin films, both grown on these substrates by pulsed laser deposition. X-ray diffraction ϕ scan and pole figure characterizations revealed that the YSZ[011] miscut direction is more effective to uniformly reduce the number of azimuthal domain variants in the films than the YSZ[001] miscut direction. The BLT films on YSZ(100) substrates with miscut angle of 5° and [011] miscut direction involve only half the number of azimuthal domains, compared to the BLT films on exactly cut YSZ(100) substrates. Atomic force microscopy and plan-view transmission electron microscopy also confirmed that almost all BLT grains on these miscut YSZ(100) substrates are arranged along only two (out of four) specific azimuthal directions. The BLT films on YSZ(100) substrates with 5° miscut towards YSZ[011] showed an about 1.3 times higher remanent polarization (Pr=12.5μC /cm2) than the BLT films on exactly cut YSZ(100) substrates (Pr=9.5μC/cm2), due most probably to a lower areal density of azimuthal domain boundaries. It thus appears that reducing the structural domains can be an effective way to further enhance the ferroelectric properties of multiply twinned, epitaxial ferroelectric films.

Electrostatic stability of electron-positron plasmas in dipole geometry

NASA Astrophysics Data System (ADS)

Mishchenko, Alexey; Plunk, Gabriel G.; Helander, Per

2018-04-01

The electrostatic stability of electron-positron plasmas is investigated in the point-dipole and Z-pinch limits of dipole geometry. The kinetic dispersion relation for sub-bounce-frequency instabilities is derived and solved. For the zero-Debye-length case, the stability diagram is found to exhibit singular behaviour. However, when the Debye length is non-zero, a fluid mode appears, which resolves the observed singularity, and also demonstrates that both the temperature and density gradients can drive instability. It is concluded that a finite Debye length is necessary to determine the stability boundaries in parameter space. Landau damping is investigated at scales sufficiently smaller than the Debye length, where instability is absent.

Ab-initio study of structural, electronic, and transport properties of zigzag GaP nanotubes.

PubMed

Srivastava, Anurag; Jain, Sumit Kumar; Khare, Purnima Swarup

2014-03-01

Stability and electronic properties of zigzag (3 ≤ n ≤ 16) gallium phosphide nanotubes (GaP NTs) have been analyzed by employing a systematic ab-intio approach based on density functional theory using generalized gradient approximation with revised Perdew Burke Ernzerhoff type parameterization. Diameter dependence of bond length, buckling, binding energy, and band gap has been investigated and the analysis shows that the bond length and buckling decreases with increasing diameter of the tube, highest binding energy of (16, 0) confirms this as the most stable amongst all the NTs taken into consideration. The present GaP NTs shows direct band gap and it increases with diameter of the tubes. Using a two probe model for (4, 0) NT the I-V relationship shows an exponential increase in current on applying bias voltage beyond 1.73 volt.

Sonochemically synthesized MnO2 nanoparticles as electrode material for supercapacitors.

PubMed

Gnana Sundara Raj, Balasubramaniam; Asiri, Abdullah M; Qusti, Abdullah H; Wu, Jerry J; Anandan, Sambandam

2014-11-01

In this study, manganese oxide (MnO2) nanoparticles were synthesized by sonochemical reduction of KMnO4 using polyethylene glycol (PEG) as a reducing agent as well as structure directing agent under room temperature in short duration of time and characterized by powder X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), Scanning electron microscope (SEM), Transmission electron microscopy (TEM) and Brunauer-Emmett-Teller (BET) analysis. A supercapacitor device constructed using the ultrasonically-synthesized MnO2 nanoparticles showed maximum specific capacitance (SC) of 282Fg(-1) in the presence of 1M Ca(NO3)2 as an electrolyte at a current density of 0.5mAcm(-2) in the potential range from 0.0 to 1.0V and about 78% of specific capacitance was retained even after 1000 cycles indicating its high electrochemical stability. Copyright © 2013 Elsevier B.V. All rights reserved.

A review of earth abundant ZnO-based materials for thermoelectric and photovoltaic applications

NASA Astrophysics Data System (ADS)

Wang, Yang; Zhou, Chuanle; Elquist, Aline M.; Ghods, Amirhossein; Saravade, Vishal G.; Lu, Na; Ferguson, Ian

2018-02-01

Zinc oxide (ZnO) is an earth abundant wide bandgap semiconductor of great interest in the recent years. ZnO has many unique properties, such as non-toxic, large direct bandgap, high exciton binding energy, high transparency in visible and infrared spectrum, large Seebeck coefficient, high thermal stability, high electron diffusivity, high electron mobility, and availability of various nanostructures, making it a promising material for many applications. The growth techniques of ZnO is reviewed in this work, including sputtering, PLD, MOCVD and MBE techniques, focusing on the crystalline quality, electrical and optical properties. The problem with p-type doping ZnO is also discussed, and the method to improve p-type doping efficiency is reviewed. This paper also summarizes the current state of art of ZnO in thermoelectric and photovoltaic applications, including the key parameters, different device structures, and future development.

Formation of printable granular and colloidal chains through capillary effects and dielectrophoresis

PubMed Central

Rozynek, Zbigniew; Han, Ming; Dutka, Filip; Garstecki, Piotr; Józefczak, Arkadiusz; Luijten, Erik

2017-01-01

One-dimensional conductive particle assembly holds promise for a variety of practical applications, in particular for a new generation of electronic devices. However, synthesis of such chains with programmable shapes outside a liquid environment has proven difficult. Here we report a route to simply ‘pull' flexible granular and colloidal chains out of a dispersion by combining field-directed assembly and capillary effects. These chains are automatically stabilized by liquid bridges formed between adjacent particles, without the need for continuous energy input or special particle functionalization. They can further be deposited onto any surface and form desired conductive patterns, potentially applicable to the manufacturing of simple electronic circuits. Various aspects of our route, including the role of particle size and the voltages needed, are studied in detail. Looking towards practical applications, we also present the possibility of two-dimensional writing, rapid solidification of chains and methods to scale up chain production. PMID:28497791

Formation of printable granular and colloidal chains through capillary effects and dielectrophoresis

NASA Astrophysics Data System (ADS)

Rozynek, Zbigniew; Han, Ming; Dutka, Filip; Garstecki, Piotr; Józefczak, Arkadiusz; Luijten, Erik

2017-05-01

One-dimensional conductive particle assembly holds promise for a variety of practical applications, in particular for a new generation of electronic devices. However, synthesis of such chains with programmable shapes outside a liquid environment has proven difficult. Here we report a route to simply `pull' flexible granular and colloidal chains out of a dispersion by combining field-directed assembly and capillary effects. These chains are automatically stabilized by liquid bridges formed between adjacent particles, without the need for continuous energy input or special particle functionalization. They can further be deposited onto any surface and form desired conductive patterns, potentially applicable to the manufacturing of simple electronic circuits. Various aspects of our route, including the role of particle size and the voltages needed, are studied in detail. Looking towards practical applications, we also present the possibility of two-dimensional writing, rapid solidification of chains and methods to scale up chain production.

Investigation of electronic and magnetic properties of FeS: First principle and Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Bouachraoui, Rachid; El Hachimi, Abdel Ghafour; Ziat, Younes; Bahmad, Lahoucine; Tahiri, Najim

2018-06-01

Electronic and magnetic properties of hexagonal Iron (II) Sulfide (hexagonal FeS) have been investigated by combining the Density functional theory (DFT) and Monte Carlo simulations (MCS). This compound is constituted by magnetic hexagonal lattice occupied by Fe2+ with spin state (S = 2). Based on ab initio method, we calculated the exchange coupling JFe-Fe between two magnetic atoms Fe-Fe in different directions. Also phase transitions, magnetic stability and magnetizations have been investigated in the framework of Monte Carlo simulations. Within this method, a second phase transition is observed at the Néel temperature TN = 450 K. This finding in good agreement with the reported data in the literature. The effect of the applied different parameters showed how can these parameters affect the critical temperature of this system. Moreover, we studied the density of states and found that the hexagonal FeS will be a promoting material for spintronic applications.

A study of selected radiation and propagation problems related to antennas and probes in magneto-ionic media

NASA Technical Reports Server (NTRS)

1973-01-01

Research consisted of computations toward the solution of the problem of the current distribution on a cylindrical antenna in a magnetoplasma. The case of an antenna parallel to the applied magnetic field was investigated. A systematic method of asymptotic expansion was found which simplifies the solution in the general case by giving the field of a dipole even at relatively short range. Some useful properties of the dispersion surfaces in a lossy medium have also been found. A laboratory experiment was directed toward evaluating nonlinear effects, such as those due to power level, bias voltage and electron heating. The problem of reflection and transmission of waves in an electron heated plasma was treated theoretically. The profile inversion problem has been pursued. Some results are very encouraging, however, the general question of stability of the solution remains unsolved.

Electron beam processed transdermal delivery system for administration of an anti-anginal agent

NASA Astrophysics Data System (ADS)

Kotiyan, P. N.; Vavia, P. R.; Bharadwaj, Y. K.; Sabarwal, S.; Majali, A. B.

2002-12-01

Electron beam irradiation was used to synthesize a matrix type transdermal system of isosorbide dinitrate, an effective anti-anginal agent. The drug was dissolved in two monomeric systems, 2-ethylhexyl acrylate (EHA) and 2-ethylhexyl acrylate : methyl methacrylate (9 : 1). The solutions were then directly irradiated on a backing membrane (Scotchpak ®1006) at different doses to get transdermal patches. The developed systems were evaluated for residual monomer content, equilibrium weight swelling ratio, weight uniformity, thickness uniformity, drug content, peel strength, in vitro release and skin permeation kinetics. They possessed excellent tack and adhesive properties. In the case of isosorbide dinitrate-EHA systems, an increase in the peel strength values with respect to the skin was observed with increasing radiation doses. The systems exhibited promising skin permeation kinetics favorable for transdermal drug delivery. The radiation stability of the drug in the pure solid state form was also assessed.

Room temperature stable single molecule rectifiers with graphite electrodes

NASA Astrophysics Data System (ADS)

Rungger, Ivan; Kaliginedi, V.; Droghetti, A.; Ozawa, H.; Kuzume, A.; Haga, M.; Broekmann, P.; Rudnev, A. V.

In this combined theoretical and experimental study we present new molecular electronics device characteristics of unprecedented stability at room temperature by using electrodes based on highly oriented pyrolytic graphite with covalently attached molecules. To this aim, we explore the effect of the anchoring group chemistry on the charge transport properties of graphite/molecule contacts by means of the scanning tunneling microscopy break-junction technique and ab initio simulations. The theoretical approach to evaluate the conductance is based on density functional theory calculations combined with the non-equilibrium Greens function technique, as implemented in the Smeagol electron transport code. We also demonstrate a strong bias dependence and rectification of the single molecule conductance induced by the anchoring chemistry in combination with the very low density of states of graphite around the Fermi energy. We show that the direction of tunneling current rectification can be tuned by anchoring group chemistry.

Gold and iodine diffusion in large area perovskite solar cells under illumination.

PubMed

Cacovich, S; Ciná, L; Matteocci, F; Divitini, G; Midgley, P A; Di Carlo, A; Ducati, C

2017-04-06

Operational stability is the main issue hindering the commercialisation of perovskite solar cells. Here, a long term light soaking test was performed on large area hybrid halide perovskite solar cells to investigate the morphological and chemical changes associated with the degradation of photovoltaic performance occurring within the devices. Using Scanning Transmission Electron Microscopy (STEM) in conjunction with EDX analysis on device cross sections, we observe the formation of gold clusters in the perovskite active layer as well as in the TiO 2 mesoporous layer, and a severe degradation of the perovskite due to iodine migration into the hole transporter. All these phenomena are associated with a drastic drop of all the photovoltaic parameters. The use of advanced electron microscopy techniques and data processing provides new insights on the degradation pathways, directly correlating the nanoscale structure and chemistry to the macroscopic properties of hybrid perovskite devices.

Fabrication of Te@Au core-shell hybrids for efficient ethanol oxidation

NASA Astrophysics Data System (ADS)

Jin, Huile; Wang, Demeng; Zhao, Yuewu; Zhou, Huan; Wang, Shun; Wang, Jichang

2012-10-01

Using Au nanoparticles to catalyze the oxidation of alcohols has garnered increasing attention due to its potential application in direct alcohol fuel cells. In this research Te@Au core-shell hybrids were fabricated for the catalytic oxidation of ethanol, where the preparation procedure involved the initial production of Te crystals with different microstructures and the subsequent utilization of the Te crystal as a template and reducing agent for the production of Te@Au hybrids. The as-prepared core-shell hybrids were characterized by scanning electron microscopy, transmission electron microscopy, energy-dispersive X-ray spectroscopy, and X-ray diffraction techniques. Electrochemical measurements illustrate that the hybrids have great electrocatalytic activity and stability toward ethanol oxidation in alkaline media. The enhanced electrocatalytic property may be attributed to the cooperative effects between the metal and semiconductor and the presence of a large number of active sites on the hybrids surface.

Hollow raspberry-like PdAg alloy nanospheres: High electrocatalytic activity for ethanol oxidation in alkaline media

NASA Astrophysics Data System (ADS)

Peng, Cheng; Hu, Yongli; Liu, Mingrui; Zheng, Yixiong

2015-03-01

Palladium-silver (PdAg) alloy nanospheres with unique structure were prepared using a one-pot procedure based on the galvanic replacement reaction. Their electrocatalytic activity for ethanol oxidation in alkaline media was evaluated. The morphology and crystal structure of the samples were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray diffraction (XRD). Electrochemical characterization techniques, including cyclic voltammetry (CV) and chronoamperometry (CA) measurements were used to analyze the electrochemical performance of the PdAg alloy nanospheres. The SEM and TEM images showed that the PdAg alloy nanospheres exhibit a hierarchical nanostructure with hollow interiors and porous walls. Compared to the commercial Pd/C catalyst, the as-prepared PdAg alloy nanospheres exhibit superior electrocatalytic activity and stability towards ethanol electro-oxidation in alkaline media, showing its potential as a new non-Pt electro-catalyst for direct alcohol fuel cells (DAFCs).

Joining of Silicon Carbide: Diffusion Bond Optimization and Characterization

NASA Technical Reports Server (NTRS)

Halbig, Michael C.; Singh, Mrityunjay

2008-01-01

Joining and integration methods are critically needed as enabling technologies for the full utilization of advanced ceramic components in aerospace and aeronautics applications. One such application is a lean direct injector for a turbine engine to achieve low NOx emissions. In the application, several SiC substrates with different hole patterns to form fuel and combustion air channels are bonded to form the injector. Diffusion bonding is a joining approach that offers uniform bonds with high temperature capability, chemical stability, and high strength. Diffusion bonding was investigated with the aid of titanium foils and coatings as the interlayer between SiC substrates to aid bonding. The influence of such variables as interlayer type, interlayer thickness, substrate finish, and processing time were investigated. Optical microscopy, scanning electron microscopy, and electron microprobe analysis were used to characterize the bonds and to identify the reaction formed phases.

Structural complexity and wide application of two-dimensional S/O type antimonene

NASA Astrophysics Data System (ADS)

Li, T. T.; He, C.; Zhang, W. X.

2018-05-01

Inspired by stable two-dimensional antimonene phases, two new allotropes (S/O and tricycle) antimonenes have been predicted by first-principles calculations in this paper. S/O type antimonene possesses remarkably thermodynamical and dynamical stability, which are comparable to that of buckled type antimonene. The results indicate that S/O type antimonene is a direct band gap semiconductor with a band gap of 2.314 eV and the electronic properties could be effectively tuned by the in-plane strain. In order to explore the potential application, the mechanical properties and optical properties of S/O type antimonene are also extensively studied. It is found the S/O type antimonene is an anisotropic material by the method of analyzing the linear Poisson's ratios and the phonon band structure. These systematical analyses show that S/O type antimonene is a new 2D material with tunable electronic properties, excellent mechanical and optical properties.

Gating Topology of the Proton-Coupled Oligopeptide Symporters

PubMed Central

Fowler, Philip W.; Orwick-Rydmark, Marcella; Radestock, Sebastian; Solcan, Nicolae; Dijkman, Patricia M.; Lyons, Joseph A.; Kwok, Jane; Caffrey, Martin; Watts, Anthony; Forrest, Lucy R.; Newstead, Simon

2015-01-01

Summary Proton-coupled oligopeptide transporters belong to the major facilitator superfamily (MFS) of membrane transporters. Recent crystal structures suggest the MFS fold facilitates transport through rearrangement of their two six-helix bundles around a central ligand binding site; how this is achieved, however, is poorly understood. Using modeling, molecular dynamics, crystallography, functional assays, and site-directed spin labeling combined with double electron-electron resonance (DEER) spectroscopy, we present a detailed study of the transport dynamics of two bacterial oligopeptide transporters, PepTSo and PepTSt. Our results identify several salt bridges that stabilize outward-facing conformations and we show that, for all the current structures of MFS transporters, the first two helices of each of the four inverted-topology repeat units form half of either the periplasmic or cytoplasmic gate and that these function cooperatively in a scissor-like motion to control access to the peptide binding site during transport. PMID:25651061

Theoretical Analysis of the Electron Spiral Toroid Concept

NASA Technical Reports Server (NTRS)

Cambier, Jean-Luc; Micheletti, David A.; Bushnell, Dennis M. (Technical Monitor)

2000-01-01

This report describes the analysis of the Electron Spiral Toroid (EST) concept being promoted by Electron Power Systems Inc. (EPS). The EST is described as a toroidal plasma structure composed Of ion and electron shells. It is claimed that the EST requires little or no external confinement, despite the extraordinarily large energy densities resulting from the self-generating magnetic fields. The present analysis is based upon documentation made available by EPS, a previous description of the model by the Massachusetts Institute of Technology (MIT), and direct discussions with EPS and MIT. It is found that claims of absolute stability and large energy storage capacities of the EST concept have not been substantiated. Notably, it can be demonstrated that the ion fluid is fundamentally unstable. Although various scenarios for ion confinement were subsequently suggested by EPS and MIT, none were found to be plausible. Although the experimental data does not prove the existence of EST configurations, there is undeniable experimental evidence that some type of plasma structures whose characteristics remain to be determined are observed. However, more realistic theoretical models must first be developed to explain their existence and properties before applications of interest to NASA can he assessed and developed.

Alkali (Li, K and Na) and alkali-earth (Be, Ca and Mg) adatoms on SiC single layer

NASA Astrophysics Data System (ADS)

Baierle, Rogério J.; Rupp, Caroline J.; Anversa, Jonas

2018-03-01

First-principles calculations within the density functional theory (DFT) have been addressed to study the energetic stability, and electronic properties of alkali and alkali-earth atoms adsorbed on a silicon carbide (SiC) single layer. We observe that all atoms are most stable (higher binding energy) on the top of a Si atom, which moves out of the plane (in the opposite direction to the adsorbed atom). Alkali atoms adsorbed give raise to two spin unpaired electronic levels inside the band gap leading the SiC single layer to exhibit n-type semiconductor properties. For alkaline atoms adsorbed there is a deep occupied spin paired electronic level inside the band gap. These finding suggest that the adsorption of alkaline and alkali-earth atoms on SiC layer is a powerful feature to functionalize two dimensional SiC structures, which can be used to produce new electronic, magnetic and optical devices as well for hydrogen and oxygen evolution reaction (HER and OER, respectively). Furthermore, we observe that the adsorption of H2 is ruled by dispersive forces (van der Waals interactions) while the O2 molecule is strongly adsorbed on the functionalized system.

A simple model of solvent-induced symmetry-breaking charge transfer in excited quadrupolar molecules

NASA Astrophysics Data System (ADS)

Ivanov, Anatoly I.; Dereka, Bogdan; Vauthey, Eric

2017-04-01

A simple model has been developed to describe the symmetry-breaking of the electronic distribution of AL-D-AR type molecules in the excited state, where D is an electron donor and AL and AR are identical acceptors. The origin of this process is usually associated with the interaction between the molecule and the solvent polarization that stabilizes an asymmetric and dipolar state, with a larger charge transfer on one side than on the other. An additional symmetry-breaking mechanism involving the direct Coulomb interaction of the charges on the acceptors is proposed. At the same time, the electronic coupling between the two degenerate states, which correspond to the transferred charge being localised either on AL or AR, favours a quadrupolar excited state with equal amount of charge-transfer on both sides. Because of these counteracting effects, symmetry breaking is only feasible when the electronic coupling remains below a threshold value, which depends on the solvation energy and the Coulomb repulsion energy between the charges located on AL and AR. This model allows reproducing the solvent polarity dependence of the symmetry-breaking reported recently using time-resolved infrared spectroscopy.

Role of 5f electrons in the structural stability of light actinide (Th-U) mononitrides under pressure.

PubMed

Modak, P; Verma, Ashok K

2016-03-28

Pressure induced structural sequences and their mechanism for light actinide (Th-U) mononitrides were studied as a function of 5f-electron number using first-principles total energy and electronic structure calculations. Zero pressure lattice constants, bulk module and C11 elastic module vary systematically with 5f-electron number implying its direct role on crystal binding. There is a critical 5f-electron number below which the system makes B1-B2 and above it B1-R3̄m-B2 structural sequence under pressure. Also, the B1-B2 transition pressure increases with increasing 5f-electron number whereas an opposite trend is obtained for the B1-R3̄m transition pressure. The ascending of N p anti-bonding states through the Fermi level at high pressure is responsible for the structural instability of the system. Above the critical 5f-electron number in the system a narrow 5f-band occurs very close to the Fermi level which allows the system to lower its symmetry via band Jahn-Teller type lattice distortion and the system undergoes a B1-R3̄m phase transition. However, below the critical 5f-electron number this mechanism is not favorable due to a lack of sufficient 5f-state occupancy and thus the system undergoes a B1-B2 phase transition like other ionic solids.

Watching the electronic motions driven by a conical intersection

NASA Astrophysics Data System (ADS)

Jonas, David

2007-03-01

In chemistry, the fastest electronic rearrangements proceed through ``conical intersections'' between electronic potential energy surfaces. With sufficiently short pulses, the electronic motion can be isolated by polarized excitation of aligned electronic wavepackets at a conical intersection. Polarized femtosecond probing reveals signatures of electronic wavepacket motion (due to the energy gaps) and of electron transfer between orbitals (due to the couplings) driven by the conical intersection. After exciting a D4h symmetry silicon naphthalocyanine molecule onto a Jahn-Teller conical intersection in the first excited state, electronic motions cause a ˜100 fs drop in the pump-probe polarization anisotropy. The polarized vibrational modulations of the signal can be used to deduce the symmetry and stabilization energies for each vibration. The initial decay of the polarization anisotropy can be quantitatively predicted from these vibrational parameters. Both coupling and energy gap variations are important on the ˜100 fs timescale. A 1 meV stabilization drives electrons from orbital to orbital in 100 fs, and the theory indicates that a chemically reactive conical intersection with 1000x greater stabilization energy could cause electronic equilibration within 2 fs. We have recently carried out experiments on a nominally D2h symmetry free-base naphthalocyanine for which the splitting between x and y polarized transitions is not resolved in the linear spectrum. For this molecule, the anisotropy also decays on a similar timescale and exhibits damped modulations whose origin (vibrational or electronic) has not yet been determined. The role of the central protons and nominal D2h symmetry in the electronic dynamics will be discussed.

Thin-film encapsulation of organic electronic devices based on vacuum evaporated lithium fluoride as protective buffer layer

NASA Astrophysics Data System (ADS)

Peng, Yingquan; Ding, Sihan; Wen, Zhanwei; Xu, Sunan; Lv, Wenli; Xu, Ziqiang; Yang, Yuhuan; Wang, Ying; Wei, Yi; Tang, Ying

2017-03-01

Encapsulation is indispensable for organic thin-film electronic devices to ensure reliable operation and long-term stability. For thin-film encapsulating organic electronic devices, insulating polymers and inorganic metal oxides thin films are widely used. However, spin-coating of insulating polymers directly on organic electronic devices may destroy or introduce unwanted impurities in the underlying organic active layers. And also, sputtering of inorganic metal oxides may damage the underlying organic semiconductors. Here, we demonstrated that by utilizing vacuum evaporated lithium fluoride (LiF) as protective buffer layer, spin-coated insulating polymer polyvinyl alcohol (PVA), and sputtered inorganic material Er2O3, can be successfully applied for thin film encapsulation of copper phthalocyanine (CuPc)-based organic diodes. By encapsulating with LiF/PVA/LiF trilayer and LiF/Er2O3 bilayer films, the device lifetime improvements of 10 and 15 times can be achieved. These methods should be applicable for thin-film encapsulation of all kinds of organic electronic devices. Moisture-induced hole trapping, and Al top electrode oxidation are suggest to be the origins of current decay for the LiF/PVA/LiF trilayer and LiF/Er2O3 bilayer films encapsulated devices, respectively.

Metallization of vanadium dioxide driven by large phonon entropy

DOE PAGES

Budai, John D.; Hong, Jiawang; Manley, Michael E.; ...

2014-11-10

Phase competition underlies many remarkable and technologically important phenomena in transition-metal oxides. Vanadium dioxide exhibits a first-order metal-insulator transition (MIT) near room temperature, where conductivity is suppressed and the lattice changes from tetragonal to monoclinic on cooling. Ongoing attempts to explain this coupled structural and electronic transition begin with two classic starting points: a Peierls MIT driven by instabilities in electron-lattice dynamics versus a Mott MIT where strong electron-electron correlations drive charge localization1-10. A key-missing piece of the VO2 puzzle is the role of lattice vibrations. Moreover, a comprehensive thermodynamic treatment must integrate both entropic and energetic aspects of themore » transition. Our measurements establish that the entropy driving the MIT is dominated by strongly anharmonic phonons rather than electronic contributions, and provide a direct determination of phonon dispersions. Our calculations identify softer bonding as the origin of the large vibrational entropy stabilizing the metallic rutile phase. They further reveal how a balance between higher entropy in the metal and orbital-driven lower energy in the insulator fully describes the thermodynamic forces controlling the MIT. This study illustrates the critical role of anharmonic lattice dynamics in metal-oxide phase competition, and provides guidance for the predictive design of new materials.« less

Localized versus itinerant states created by multiple oxygen vacancies in SrTiO3

NASA Astrophysics Data System (ADS)

Jeschke, Harald O.; Shen, Juan; Valentí, Roser

2015-02-01

Oxygen vacancies in strontium titanate surfaces (SrTiO3) have been linked to the presence of a two-dimensional electron gas with unique behavior. We perform a detailed density functional theory study of the lattice and electronic structure of SrTiO3 slabs with multiple oxygen vacancies, with a main focus on two vacancies near a titanium dioxide terminated SrTiO3 surface. We conclude based on total energies that the two vacancies preferably inhabit the first two layers, i.e. they cluster vertically, while in the direction parallel to the surface, the vacancies show a weak tendency towards equal spacing. Analysis of the nonmagnetic electronic structure indicates that oxygen defects in the surface TiO2 layer lead to population of Ti {{t}2g} states and thus itinerancy of the electrons donated by the oxygen vacancy. In contrast, electrons from subsurface oxygen vacancies populate Ti eg states and remain localized on the two Ti ions neighboring the vacancy. We find that both the formation of a bound oxygen-vacancy state composed of hybridized Ti 3eg and 4p states neighboring the oxygen vacancy as well as the elastic deformation after extracting oxygen contribute to the stabilization of the in-gap state.

Self-Standing Polypyrrole/Black Phosphorus Laminated Film: Promising Electrode for Flexible Supercapacitor with Enhanced Capacitance and Cycling Stability.

PubMed

Luo, Shaojuan; Zhao, Jinlai; Zou, Jifei; He, Zhiliang; Xu, Changwen; Liu, Fuwei; Huang, Yang; Dong, Lei; Wang, Lei; Zhang, Han

2018-01-31

With the rapid development of portable electronics, solid-state flexible supercapacitors (SCs) are considered as one of the promising energy devices in powering electronics because of their intrinsic advantages. Polypyrrole (PPy) is an ideal electrode material in constructing flexible SCs owing to its high electrochemical activity and inherent flexibility, although its relatively low capacitance and poor cycling stability are still worthy of improvement. Herein, through the innovative introduction of black phosphorus (BP) nanosheets, we developed a laminated PPy/BP self-standing film with enhanced capacitance and cycling stability via a facile one-step electrochemical deposition method. The film exhibits a high capacitance of 497.5 F g -1 (551.7 F cm -3 ) and outstanding cycling stability of 10 000 charging/discharging cycles, thanks to BP nanosheets inducing laminated assembly which hinder dense and disordered stacking of PPy during electrodeposition, consequently providing a precise pathway for ion diffusion and electron transport together with alleviation of the structural deterioration during charge/discharge. The flexible SC fabricated by laminated films delivers a high capacitance of 452.8 F g -1 (7.7 F cm -3 ) besides its remarkable mechanical flexibility and cycling stability. Our facile strategy paves the way to improve the electrochemical performance of PPy-based SC that could serve as promising flexible energy device for portable electronics.

A fully integrated oven controlled microelectromechanical oscillator -- Part I. Design and fabrication

DOE PAGES

Wojciechowski, Kenneth E.; Baker, Michael S.; Clews, Peggy J.; ...

2015-06-24

Our paper reports the design and fabrication of a fully integrated oven controlled microelectromechanical oscillator (OCMO). This paper begins by describing the limits on oscillator frequency stability imposed by the thermal drift and electronic properties (Q, resistance) of both the resonant tank circuit and feedback electronics required to form an electronic oscillator. An OCMO is presented that takes advantage of high thermal isolation and monolithic integration of both micromechanical resonators and electronic circuitry to thermally stabilize or ovenize all the components that comprise an oscillator. This was achieved by developing a processing technique where both silicon-on-insulator complementary metal-oxide-semiconductor (CMOS) circuitrymore » and piezoelectric aluminum nitride, AlN, micromechanical resonators are placed on a suspended platform within a standard CMOS integrated circuit. Operation at microscale sizes achieves high thermal resistances (~10 °C/mW), and hence thermal stabilization of the oscillators at very low-power levels when compared with the state-of-the-art ovenized crystal oscillators, OCXO. This constant resistance feedback circuit is presented that incorporates on platform resistive heaters and temperature sensors to both measure and stabilize the platform temperature. Moreover, the limits on temperature stability of the OCMO platform and oscillator frequency imposed by the gain of the constant resistance feedback loop, placement of the heater and temperature sensing resistors, as well as platform radiative and convective heat losses are investigated.« less

Water without windows: Evaluating the performance of open cell transmission electron microscopy under saturated water vapor conditions, and assessing its potential for microscopy of hydrated biological specimens.

PubMed

Cassidy, Cathal; Yamashita, Masao; Cheung, Martin; Kalale, Chola; Adaniya, Hidehito; Kuwahara, Ryusuke; Shintake, Tsumoru

2017-01-01

We have performed open cell transmission electron microscopy experiments through pure water vapor in the saturation pressure regime (>0.6 kPa), in a modern microscope capable of sub-Å resolution. We have systematically studied achievable pressure levels, stability and gas purity, effective thickness of the water vapor column and associated electron scattering processes, and the effect of gas pressure on electron optical resolution and image contrast. For example, for 1.3 kPa pure water vapor and 300kV electrons, we report pressure stability of ± 20 Pa over tens of minutes, effective thickness of 0.57 inelastic mean free paths, lattice resolution of 0.14 nm on a reference Au specimen, and no significant degradation in contrast or stability of a biological specimen (M13 virus, with 6 nm body diameter). We have also done some brief experiments to confirm feasibility of loading specimens into an in situ water vapor ambient without exposure to intermediate desiccating conditions. Finally, we have also checked if water experiments had any discernible impact on the microscope performance, and report pertinent vacuum and electron optical data, for reference purposes.

New kind of injection-locked oscillator and its corresponding long-term stability control.

PubMed

Hong, Jun; Liu, An; Wang, Xiao-hu; Yao, Sheng-xing; Li, Zu-ling

2015-09-20

A new type of opto-electronic hybrid oscillator is proposed for the first time, to the best of our knowledge, and verified by experiments in this paper. Typical electronic oscillator-dielectric resonator oscillator as the first injection source is used to injection lock the first long-fiber loop-based opto-electronic oscillator (OEO); then its output is used to injection lock the second long-fiber opto-electronic oscillator. Using this method, low-phase noise output signal can be obtained. Experiments show that single side-band (SSB) phase noise of a 9.5 GHz oscillation signal at 10 kHz offset frequency decreases from -123 to -135  dBc/Hz after the first injection, then, through the second injection, the SSB phase noise drops down to -146  dBc/Hz. In order to solve the long-term stability problem of the above oscillator, a new stability-control circuit also is designed and verified by experiments. Experiments show that the Allan deviation decreases from 9.0×10(-11) to 2.2×10(-12) during 1 s after the long-term stability-control circuit being used.

Flux-gate magnetometer spin axis offset calibration using the electron drift instrument

NASA Astrophysics Data System (ADS)

Plaschke, Ferdinand; Nakamura, Rumi; Leinweber, Hannes K.; Chutter, Mark; Vaith, Hans; Baumjohann, Wolfgang; Steller, Manfred; Magnes, Werner

2014-10-01

Spin-stabilization of spacecraft immensely supports the in-flight calibration of on-board flux-gate magnetometers (FGMs). From 12 calibration parameters in total, 8 can be easily obtained by spectral analysis. From the remaining 4, the spin axis offset is known to be particularly variable. It is usually determined by analysis of Alfvénic fluctuations that are embedded in the solar wind. In the absence of solar wind observations, the spin axis offset may be obtained by comparison of FGM and electron drift instrument (EDI) measurements. The aim of our study is to develop methods that are readily usable for routine FGM spin axis offset calibration with EDI. This paper represents a major step forward in this direction. We improve an existing method to determine FGM spin axis offsets from EDI time-of-flight measurements by providing it with a comprehensive error analysis. In addition, we introduce a new, complementary method that uses EDI beam direction data instead of time-of-flight data. Using Cluster data, we show that both methods yield similarly accurate results, which are comparable yet more stable than those from a commonly used solar wind-based method.

Fabrication and characterization of resonant SOI micromechanical silicon sensors based on DRIE micromachining, freestanding release process and silicon direct bonding

NASA Astrophysics Data System (ADS)

Gigan, Olivier; Chen, Hua; Robert, Olivier; Renard, Stephane; Marty, Frederic

2002-11-01

This paper is dedicated to the fabrication and technological aspect of a silicon microresonator sensor. The entire project includes the fabrication processes, the system modelling/simulation, and the electronic interface. The mechanical model of such resonator is presented including description of frequency stability and Hysterises behaviour of the electrostatically driven resonator. Numeric model and FEM simulations are used to simulate the system dynamic behaviour. The complete fabrication process is based on standard microelectronics technology with specific MEMS technological steps. The key steps are described: micromachining on SOI by Deep Reactive Ion Etching (DRIE), specific release processes to prevent sticking (resist and HF-vapour release process) and collective vacuum encapsulation by Silicon Direct Bonding (SDB). The complete process has been validated and prototypes have been fabricated. The ASIC was designed to interface the sensor and to control the vibration amplitude. This electronic was simulated and designed to work up to 200°C and implemented in a standard 0.6μ CMOS technology. Characterizations of sensor prototypes are done both mechanically and electrostatically. These measurements showed good agreements with theory and FEM simulations.

Direct electrochemistry of hemoglobin on graphene and titanium dioxide nanorods composite modified electrode and its electrocatalysis.

PubMed

Sun, Wei; Guo, Yaqing; Ju, Xiaomei; Zhang, Yuanyuan; Wang, Xiuzhen; Sun, Zhenfan

2013-04-15

A biocompatible sensing platform based on graphene (GR) and titanium dioxide (TiO₂) nanorods for the immobilization of hemoglobin (Hb) was adopted in this paper. The GR-TiO₂-Hb composite-modified carbon ionic liquid electrode was constructed through a simple casting method with Nafion as the film forming material. UV-Vis and FT-IR spectra confirmed that Hb retained its native structure in the composite film. Direct electron transfer of Hb incorporated into the composite was realized with a pair of quasi-reversible redox waves appeared, indicating that the presence of GR-TiO₂ nanocomposite on the electrode surface could facilitate the electron transfer rate between the electroactive center of Hb and the substrate electrode. Hb modified electrode showed excellent electrocatalytic activity to the reduction of trichloroacetic acid in the concentration range from 0.6 to 21.0 mmol L⁻¹. These results indicated that GR-TiO₂ nanocomposite could be a friendly biocompatible interface for immobilizing biomolecules and keeping their native structure. The fabricated biosensor displayed the advantages such as high sensitivity, good reproducibility and long-term stability. Copyright © 2012 Elsevier B.V. All rights reserved.

Stable holey two-dimensional C2N structures with tunable electronic structure

NASA Astrophysics Data System (ADS)

Longuinhos, R.; Ribeiro-Soares, J.

2018-05-01

C2N holey two-dimensional crystals, or C2N -h2D, a recently synthesized carbon nitride layered material, show promising properties for electronic devices, highly selective molecular filters, and supercapacitors. Few studies have investigated the stacking order in C2N -h2D, which is fundamental to determine its optical activity and plays an important role in its band gap and in the diffusion barrier for ions and molecules through its structure. In this work, we investigate the phonon stability of several bulk C2N -h2D polytypes by using first-principles calculations. Among the polytypes addressed, only one does not display phonon instabilities and is expected to be observed in equilibrium. The electronic structure evolution of dynamically stable C2N -h2D from monolayer to bilayer and to bulk is unveiled. The direct band gap at Γ can be decreased by 34% from monolayer to bulk, offering opportunities for tuning it in optoelectronics. In addition, the effective masses of both carriers become smaller as the number of layers increases, and their anisotropy along in-plane directions displayed in the monolayer is reduced, which suggest that the carrier mobility may be tuned as well. These effects are then explained according to the interaction of the orbitals in neighboring layers. The results presented here shed light on the geometry and electronic structure of an emerging layered material due to its specific stacking and increasing number of layers and suggest new perspectives for applications in optoelectronics.

Changing the ligation of the distal [4Fe4S] cluster in NiFe hydrogenase impairs inter- and intramolecular electron transfers.

PubMed

Dementin, Sébastien; Belle, Valérie; Bertrand, Patrick; Guigliarelli, Bruno; Adryanczyk-Perrier, Géraldine; De Lacey, Antonio L; Fernandez, Victor M; Rousset, Marc; Léger, Christophe

2006-04-19

In NiFe hydrogenases, electrons are transferred from the active site to the redox partner via a chain of three Iron-Sulfur clusters, and the surface-exposed [4Fe4S] cluster has an unusual His(Cys)3 ligation. When this Histidine (H184 in Desulfovibrio fructosovorans) is changed into a cysteine or a glycine, a distal cubane is still assembled but the oxidative activity of the mutants is only 1.5 and 3% of that of the WT, respectively. We compared the activities of the WT and engineered enzymes for H2 oxidation, H+ reduction and H/D exchange, under various conditions: (i) either with the enzyme directly adsorbed onto an electrode or using soluble redox partners, and (ii) in the presence of exogenous ligands whose binding to the exposed Fe of H184G was expected to modulate the properties of the distal cluster. Protein film voltammetry proved particularly useful to unravel the effects of the mutations on inter and intramolecular electron transfer (ET). We demonstrate that changing the coordination of the distal cluster has no effect on cluster assembly, protein stability, active-site chemistry and proton transfer; however, it slows down the first-order rates of ET to and from the cluster. All-sulfur coordination is actually detrimental to ET, and intramolecular (uphill) ET is rate determining in the glycine variant. This demonstrates that although [4Fe4S] clusters are robust chemical constructs, the direct protein ligands play an essential role in imparting their ability to transfer electrons.

Fabrication of hydrogen peroxide biosensor based on Ni doped SnO2 nanoparticles.

PubMed

Lavanya, N; Radhakrishnan, S; Sekar, C

2012-01-01

Ni doped SnO(2) nanoparticles (0-5 wt%) have been prepared by a simple microwave irradiation (2.45 GHz) method. Powder X-ray diffraction (XRD) and transmission electron microscopy (TEM) studies confirmed the formation of rutile structure with space group (P(42)/mnm) and nanocrystalline nature of the products with spherical morphology. Direct electrochemistry of horseradish peroxidase (HRP)/nano-SnO(2) composite has been studied. The immobilized enzyme retained its bioactivity, exhibited a surface confined, reversible one-proton and one-electron transfer reaction, and had good stability, activity and a fast heterogeneous electron transfer rate. A significant enzyme loading (3.374×10(-10) mol cm(-2)) has been obtained on nano-Ni doped SnO(2) as compared to the bare glassy carbon (GC) and nano-SnO(2) modified surfaces. This HRP/nano-Ni-SnO(2) film has been used for sensitive detection of H(2)O(2) by differential pulse voltammetry (DPV), which exhibited a wider linearity range from 1.0×10(-7) to 3.0×10(-4)M (R=0.9897) with a detection limit of 43 nM. The apparent Michaelis-Menten constant (K(M)(app)) of HRP on the nano-Ni-SnO(2) was estimated as 0.221 mM. This excellent performance of the fabricated biosensor is attributed to large surface-to-volume ratio and Ni doping into SnO(2) which facilitate the direct electron transfer between the redox enzyme and the surface of electrode. Copyright © 2012 Elsevier B.V. All rights reserved.

X-ray generator

DOEpatents

Dawson, John M.

1976-01-01

Apparatus and method for producing coherent secondary x-rays that are controlled as to direction by illuminating a mixture of high z and low z gases with an intense burst of primary x-rays. The primary x-rays are produced with a laser activated plasma, and these x-rays strip off the electrons of the high z atoms in the lasing medium, while the low z atoms retain their electrons. The neutral atoms transfer electrons to highly excited states of the highly striped high z ions giving an inverted population which produces the desired coherent x-rays. In one embodiment, a laser, light beam provides a laser spark that produces the intense burst of coherent x-rays that illuminates the mixture of high z and low z gases, whereby the high z atoms are stripped while the low z ones are not, giving the desired mixture of highly ionized and neutral atoms. To this end, the laser spark is produced by injecting a laser light beam, or a plurality of beams, into a first gas in a cylindrical container having an adjacent second gas layer co-axial therewith, the laser producing a plasma and the intense primary x-rays in the first gas, and the second gas containing the high and low atomic number elements for receiving the primary x-rays, whereupon the secondary x-rays are produced therein by stripping desired ions in a neutral gas and transfer of electrons to highly excited states of the stripped ions from the unionized atoms. Means for magnetically confining and stabilizing the plasma are disclosed for controlling the direction of the x-rays.

Developing a stability assessment method for power electronics-based microgrids

NASA Astrophysics Data System (ADS)

Austin, Peter M.

Modern microgrids with microsources and energy storage are dependent on power electronics for control and regulation. Under certain circumstances power electronics can be destabilizing to the system due to an effect called negative incremental impedance. A careful review of the theory and literature on the subject is presented. This includes stability criteria for both AC and DC systems, as well as a discussion on the limitations posed by the analysis. A method to integrate stability assessment with higher-level microgrid architectural design is proposed. Crucial to this is impedance characterization of individual components, which was accomplished through simulation. DC and AC impedance measurement blocks were created in Matlab simulink to automate the process. A detailed switching-level model of a DC microgrid was implemented in simulink, including wind turbine microsource, battery storage, and three phase inverter. Maximum power point tracking (MPPT) was included to maximize the efficiency of the turbine and was implemented through three rectifier alternatives and control schemes. The stability characteristics of each was compared in the final analysis. Impedance data was collected individually from the components and used to assess stability in the system as a whole. The results included the assessment of stability, margin, and unstable operating points to demonstrate the feasibility of the proposed approach.

Theoretical and computational studies of the sheath of a planar wall

NASA Astrophysics Data System (ADS)

Giraudo, Martina; Camporeale, Enrico; Delzanno, Gian Luca; Lapenta, Giovanni

2012-03-01

We present an investigation of the stability and nonlinear evolution of the sheath of a planar wall. We focus on the electrostatic limit. The stability analysis is conducted with a fluid model where continuity and momentum equations for the electrons and ions are coupled through Poisson's equation. The effect of electron emission from the wall is studied parametrically. Our results show that a sheath instability associated with the emitted electrons can exist. Following Ref. [1], it is interpreted as a Rayleigh-Taylor instability driven by the favorable combination of the sheath electron density gradient and electric field. Fully kinetic Particle-In-Cell (PIC) simulations will also be presented to investigate whether this instability indeed exists and to study the nonlinear effect of electron emission on the sheath profiles. The simulations will be conducted with CPIC, a new electrostatic PIC code that couples the standard PIC algorithm with strategies for generation and adaptation of the computational grid. [4pt] [1] G.L. Delzanno, ``A paradigm for the stability of the plasma sheath against fluid perturbations,'' Phys. Plasmas 18, 103508 (2011).

Estimation of Directional Stability Derivatives at Moderate Angles and Supersonic Speeds

NASA Technical Reports Server (NTRS)

Kaattari, George E.

1959-01-01

A study of some of the important aerodynamic factors affecting the directional stability of supersonic airplanes is presented. The mutual interference fields between the body, the lifting surfaces, and the stabilizing surfaces are analyzed in detail. Evaluation of these interference fields on an approximate theoretical basis leads to a method for predicting directional stability of supersonic airplanes. Body shape, wing position and plan form, vertical tail position and plan form, and ventral fins are taken into account. Estimates of the effects of these factors are in fair agreement with experiment.

Microsegregation during directional solidification

NASA Technical Reports Server (NTRS)

Coriell, S. R.; Mcfadden, G. B.

1984-01-01

During the directional solidification of alloys, solute inhomogeneities transverse to the growth direction arise due to morphological instabilities (leading to cellular or dendritic growth) and/or due to convection in the melt. In the absence of convection, the conditions for the onset of morphological instability are given by the linear stability analysis of Mullins and Sekerka. For ordinary solidification rates, the predictions of linear stability analysis are similar to the constitutional supercooling criterion. However, at very rapid solidification rates, linear stability analysis predicts a vast increase in stabilization in comparison to constitutional supercooling.

High passive CEP stability from a few-cycle, tunable NOPA-DFG system for observation of CEP-effects in photoemission.

PubMed

Vogelsang, Jan; Robin, Jörg; Piglosiewicz, Björn; Manzoni, Cristian; Farinello, Paolo; Melzer, Stefan; Feru, Philippe; Cerullo, Giulio; Lienau, Christoph; Groß, Petra

2014-10-20

The investigation of fundamental mechanisms taking place on a femtosecond time scale is enabled by ultrafast pulsed laser sources. Here, the control of pulse duration, center wavelength, and especially the carrier-envelope phase has been shown to be of essential importance for coherent control of high harmonic generation and attosecond physics and, more recently, also for electron photoemission from metallic nanostructures. In this paper we demonstrate the realization of a source of 2-cycle laser pulses tunable between 1.2 and 2.1 μm, and with intrinsic CEP stability. The latter is guaranteed by difference frequency generation between the output pulse trains of two noncollinear optical parametric amplifier stages that share the same CEP variations. The CEP stability is better than 50 mrad over 20 minutes, when averaging over 100 pulses. We demonstrate the good CEP stability by measuring kinetic energy spectra of photoemitted electrons from a single metal nanostructure and by observing a clear variation of the electron yield with the CEP.

Importance of microscopy in durability studies of solidified and stabilized contaminated soils

USGS Publications Warehouse

Klich, I.; Wilding, L.P.; Drees, L.R.; Landa, E.R.

1999-01-01

Solidification/stabilization (S/S) is recognized by the U.S. EPA as a best demonstrated available technology for the containment of contaminated soils and other hazardous wastes that cannot be destroyed by chemical, thermal, or biological means. Despite the increased use of S/S technologies, little research has been conducted on the weathering and degradation of solidified and stabilized wastes once the treated materials have been buried. Published data to verify the performance and durability of landfilled treated wastes over time are rare. In this preliminary study, optical and electron microscopy (scanning electron microscopy [SEM], transmission electron microscopy [TEM] and electron probe microanalyses [EPMA]) were used to evaluate weathering features associated with metal-bearing contaminated soil that had been solidified and stabilized with Portland cement and subsequently buried on site, stored outdoors aboveground, or achieved in a laboratory warehouse for up to 6 yr. Physical and chemical alteration processes identified include: freeze-thaw cracking, cracking caused by the formation of expansive minerals such as ettringite, carbonation, and the movement of metals from waste aggregates into the cement micromass. Although the extent of degradation after 6 yr is considered slight to moderate, results of this study show that the same environmental concerns that affect the durability of concrete must be considered when evaluating the durability and permanence of the solidification and stabilization of contaminated soils with cement. In addition, such evaluations cannot be based on leaching and chemical analyses alone. The use of all levels of microscopic analyses must be incorporated into studies of the long-term performance of S/S technologies.Solidification/stabilization (S/S) is recognized by the U.S. EPA as a best demonstrated available technology for the containment of contaminated soils and other hazardous wastes that cannot be destroyed by chemical, thermal, or biological means. Despite the increased use of S/S technologies, little research has been conducted on the weathering and degradation of solidified and stabilized wastes once the treated materials have been buried. Published data to verify the performance and durability of landfilled treated wastes over time are rare. In this preliminary study, optical and electron microscopy (scanning electron microscopy [SEM], transmission electron microscopy [TEM] and electron probe microanalyses [EPMA]) were used to evaluate weathering features associated with metal-bearing contaminated soil that had been solidified and stabilized with Portland cement and subsequently buried on site, stored outdoors aboveground, or archived in a laboratory, warehouse for up to 6 yr. Physical and chemical alteration processes identified include: freeze-thaw cracking, cracking caused by the formation of expansive minerals such as ettringite, carbonation, and the movement of metals from waste aggregates into the cement micromass. Although the extent of degradation after 6 yr is considered slight to moderate, results of this study show that the same environmental concerns that affect the durability of concrete must be considered when evaluating the durability and permanence of the solidification and stabilization of contaminated soils with cement. In addition, such evaluations cannot be based on leaching and chemical analyses alone. The use of all levels of microscopic analyses must be incorporated into studies of the long-term performance of S/S technologies.

Microbial surface displayed enzymes based biofuel cell utilizing degradation products of lignocellulosic biomass for direct electrical energy.

PubMed

Fan, Shuqin; Hou, Chuantao; Liang, Bo; Feng, Ruirui; Liu, Aihua

2015-09-01

In this work, a bacterial surface displaying enzyme based two-compartment biofuel cell for the direct electrical energy conversion from degradation products of lignocellulosic biomass is reported. Considering that the main degradation products of the lignocellulose are glucose and xylose, xylose dehydrogenase (XDH) displayed bacteria (XDH-bacteria) and glucose dehydrogenase (GDH) displayed bacteria (GDH-bacteria) were used as anode catalysts in anode chamber with methylene blue as electron transfer mediator. While the cathode chamber was constructed with laccase/multi-walled-carbon nanotube/glassy-carbon-electrode. XDH-bacteria exhibited 1.75 times higher catalytic efficiency than GDH-bacteria. This assembled enzymatic fuel cell exhibited a high open-circuit potential of 0.80 V, acceptable stability and energy conversion efficiency. Moreover, the maximum power density of the cell could reach 53 μW cm(-2) when fueled with degradation products of corn stalk. Thus, this finding holds great potential to directly convert degradation products of biomass into electrical energy. Copyright © 2015 Elsevier Ltd. All rights reserved.

Biomass-directed synthesis of 20 g high-quality boron nitride nanosheets for thermoconductive polymeric composites.

PubMed

Wang, Xue-Bin; Weng, Qunhong; Wang, Xi; Li, Xia; Zhang, Jun; Liu, Fei; Jiang, Xiang-Fen; Guo, Hongxuan; Xu, Ningsheng; Golberg, Dmitri; Bando, Yoshio

2014-09-23

Electrically insulating boron nitride (BN) nanosheets possess thermal conductivity similar to and thermal and chemical stabilities superior to those of electrically conductive graphenes. Currently the production and application of BN nanosheets are rather limited due to the complexity of the BN binary compound growth, as opposed to massive graphene production. Here we have developed the original strategy "biomass-directed on-site synthesis" toward mass production of high-crystal-quality BN nanosheets. The strikingly effective, reliable, and high-throughput (dozens of grams) synthesis is directed by diverse biomass sources through the carbothermal reduction of gaseous boron oxide species. The produced BN nanosheets are single crystalline, laterally large, and atomically thin. Additionally, they assemble themselves into the same macroscopic shapes peculiar to original biomasses. The nanosheets are further utilized for making thermoconductive and electrically insulating epoxy/BN composites with a 14-fold increase in thermal conductivity, which are envisaged to be particularly valuable for future high-performance electronic packaging materials.

The stability of liquid-filled matrix ionization chamber electronic portal imaging devices for dosimetry purposes.

PubMed

Louwe, R J W; Tielenburg, R; van Ingen, K M; Mijnheer, B J; van Herk, M B

2004-04-01

This study was performed to determine the stability of liquid-filled matrix ionization chamber (LiFi-type) electronic portal imaging devices (EPID) for dosimetric purposes. The short- and long-term stability of the response was investigated, as well as the importance of factors influencing the response (e.g., temperature fluctuations, radiation damage, and the performance of the electronic hardware). It was shown that testing the performance of the electronic hardware as well as the short-term stability of the imagers may reveal the cause of a poor long-term stability of the imager response. In addition, the short-term stability was measured to verify the validity of the fitted dose-response curve immediately after beam startup. The long-term stability of these imagers could be considerably improved by correcting for room temperature fluctuations and gradual changes in response due to radiation damage. As a result, the reproducibility was better than 1% (1 SD) over a period of two years. The results of this study were used to formulate recommendations for a quality control program for portal dosimetry. The effect of such a program was assessed by comparing the results of portal dosimetry and in vivo dosimetry using diodes during the treatment of 31 prostate patients. The improvement of the results for portal dosimetry was consistent with the deviations observed with the reproducibility tests in that particular period. After a correction for the variation in response of the imager, the average difference between the measured and prescribed dose during the treatment of prostate patients was -0.7%+/-1.5% (1 SD), and -0.6%+/-1.1% (1 SD) for EPID and diode in vivo dosimetry, respectively. It can be concluded that a high stability of the response can be achieved for this type of EPID by applying a rigorous quality control program.

Growth Behavior and Electronic Structure of Noble Metal-Doped Germanium Clusters.

PubMed

Mahtout, Sofiane; Siouani, Chaouki; Rabilloud, Franck

2018-01-18

Structures, energetics, and electronic properties of noble metal-doped germanium (MGe n with M = Cu, Ag, Au; n = 1-19) clusters are systematically investigated by using the density functional theory (DFT) approach. The endohedral structures in which the metal atom is encapsulated inside of a germanium cage appear at n = 10 when the dopant is Cu and n = 12 for M = Ag and Au. While Cu doping enhances the stability of the corresponding germanium frame, the binding energies of AgGe n and AuGe n are always lower than those of pure germanium clusters. Our results highlight the great stability of the CuGe 10 cluster in a D 4d structure and, to a lesser extent, that of AgGe 15 and AuGe 15 , which exhibits a hollow cage-like geometry. The sphere-type geometries obtained for n = 10-15 present a peculiar electronic structure in which the valence electrons of the noble metal and Ge atoms are delocalized and exhibit a shell structure associated with the quasi-spherical geometry. It is found that the coinage metal is able to give both s- and d-type electrons to be reorganized together with the valence electrons of Ge atoms through a pooling of electrons. The cluster size dependence of the stability, the frontier orbital energy gap, the vertical ionization potentials, and electron affinities are given.

Bioconjugation of zirconium uridine monophosphate: application to myoglobin direct electrochemistry.

PubMed

Qiao, Yuanbiao; Jian, Fangfang; Bai, Qian

2008-03-14

Porous nano-granule of zirconium uridine monophosphate, Zr(UMP)2.H2O is, for the first time, synthesized under mild experimental conditions and applied to the bioconjugation of myoglobin (Mb) to realize its direct electron transfer. UV-vis and resonance Raman spectroscopies prove that Mb in the Zr(UMP)2.H2O film maintains its secondary structure similar to the native state. The conjugation film of the Mb-Zr(UMP)2.H2O on the glassy carbon (GC) electrode gives a well-defined and quasi-reversible cyclic voltammogram, which reflects the direct electron transfer of the heme Fe III/Fe II couple of Mb. On the basis of the satisfying bioelectrocatalysis of the nano-conjugation of Mb and genetic substrate, a kind of mediator-free biosensor for H2O2 is developed. The linear range for H2O2 detection is estimated to be 3.92-180.14 microM. The apparent Michaelis-Menten constant (Km) and the detection limit based on the signal-to-noise ratio of 3 are found to be 196.1 microM and 1.52 microM, respectively. Both the apparent Michaelis-Menten constant and the detection limit herein are much lower than currently reported values from other Mb films. This kind of sensor possesses excellent stability, long-term life (more than 20 days) and good reproducibility.

Direct growth of NiO nanosheets on mesoporous TiN film for energy storage devices

NASA Astrophysics Data System (ADS)

Lee, Jae Hun; Lim, Jung Yup; Lee, Chang Soo; Park, Jung Tae; Kim, Jong Hak

2017-10-01

We report an efficient energy storage electrode based on well-defined, interconnected NiO nanosheets (NiO-NS) grown directly on a mesoporous TiN (meso-TiN) film via a solvothermal method. A mesoporous TiO2 (meso-TiO2) film is prepared using a graft copolymer template and then thermally annealed in ammonia at 800 °C to convert meso-TiO2 into meso-TiN. The ultrathin interconnected NiO-NS provide a large surface area and effective electron pathway, which enhance their specific capacitance and electrochemical properties. In contrast, a less-organized structure with poor homogeneity, low porosity and some cracks is formed for dense-TiN film prepared without the PVC-g-POEM. The meso-TiN film acts as an efficient conductive support to grow the NiO-NS and enhances the diffusion of electron/electrolyte ions. Despite its low thickness (<1.3 μm), the NiO-NS/meso-TiN supercapacitor exhibits a high capacitance of 104 mF cm-2 and good cycle stability (86% capacitance retention) owing to the synergetic effects of the NiO-NS and meso-TiN heteronanostructure. The NiO-NS/meso-TiN film is also applied to a flexible substrate and exhibits no cracks after bending; thus, our work provides an efficient way to design flexible energy storage devices using graft-copolymer-directed heteronanostructures.

Improved peroxide biosensor based on Horseradish Peroxidase/Carbon Nanotube on a thiol-modified gold electrode.

PubMed

Kafi, A K M; Naqshabandi, M; Yusoff, Mashitah M; Crossley, Maxwell J

2018-06-01

A new 3-dimensional (3D) network of crosslinked Horseradish Peroxidase/Carbon Nanotube (HRP/CNT) on a thiol-modified Au surface has been described in order to build up the effective electrical wiring of the enzyme units with the electrode. The synthesized 3D HRP/CNT network has been characterized with cyclic voltammetry and amperometry which results the establishment of direct electron transfer between the redox active unit of HRP and the Au surface. Electrochemical measurements reveal that the high biological activity and stability is exhibited by the immobilized HRP and a quasi-reversible redox peak of the redox centre of HRP was observed at about -0.355 and -0.275V vs. Ag/AgCl. The electron transfer rate constant, K S and electron transfer co-efficient α were found as 0.57s -1 and 0.42, respectively. Excellent electrocatalytic activity for the reduction of H 2 O 2 was exhibited by the developed biosensor. The proposed biosensor modified with HRP/CNT 3D network displays a broader linear range and a lower detection limit for H 2 O 2 determination. The linear range is from 1.0×10 -7 to 1.2×10 -4 M with a detection limit of 2.2.0×10 -8 M at 3σ. The Michaelies-Menten constant Kapp M value is estimated to be 0.19mM. Moreover, this biosensor exhibits very high sensitivity, good reproducibility and long-time stability. Copyright © 2017 Elsevier Inc. All rights reserved.

Single layers and multilayers of GaN and AlN in square-octagon structure: Stability, electronic properties, and functionalization

NASA Astrophysics Data System (ADS)

Gürbüz, E.; Cahangirov, S.; Durgun, E.; Ciraci, S.

2017-11-01

Further to planar single-layer hexagonal structures, GaN and AlN can also form free-standing, single-layer structures constructed from squares and octagons. We performed an extensive analysis of dynamical and thermal stability of these structures in terms of ab initio finite-temperature molecular dynamics and phonon calculations together with the analysis of Raman and infrared active modes. These single-layer square-octagon structures of GaN and AlN display directional mechanical properties and have wide, indirect fundamental band gaps, which are smaller than their hexagonal counterparts. These density functional theory band gaps, however, increase and become wider upon correction. Under uniaxial and biaxial tensile strain, the fundamental band gaps decrease and can be closed. The electronic and magnetic properties of these single-layer structures can be modified by adsorption of various adatoms, or by creating neutral cation-anion vacancies. The single-layer structures attain magnetic moment by selected adatoms and neutral vacancies. In particular, localized gap states are strongly dependent on the type of vacancy. The energetics, binding, and resulting electronic structure of bilayer, trilayer, and three-dimensional (3D) layered structures constructed by stacking the single layers are affected by vertical chemical bonds between adjacent layers. In addition to van der Waals interaction, these weak vertical bonds induce buckling in planar geometry and enhance their binding, leading to the formation of stable 3D layered structures. In this respect, these multilayers are intermediate between van der Waals solids and wurtzite crystals, offering a wide range of tunability.

Immobilization of glucose oxidase on graphene and cobalt phthalocyanine composite and its application for the determination of glucose.

PubMed

Mani, Veerappan; Devasenathipathy, Rajkumar; Chen, Shen-Ming; Huang, Sheng-Tung; Vasantha, V S

2014-11-01

We described a simple and facile chemical reduction strategy for the preparation of graphene (GR)-cobalt phthalocyanine (CoPc) composite and explored it for the enzymatic determination of glucose. CoPc is an active mediator and electrocatalysts for the immobilization of GOx and determination of glucose. However, it is not stable on the electrode surface and also suffers from lack of conductivity. Here, we have employed GR as the suitable support to stabilize CoPc through simple chemical reduction method and the resulting composite has been used for the glucose biosensor application. Scanning electron microscopy, X-ray diffraction and Energy-dispersive X-ray spectroscopy studies confirmed the successful formation of composite. Direct electron transfer of glucose oxidase (GOx) was observed with well defined redox peaks at the formal potential of -0.44 V. The amount of electroactive GOx (Г) and electron transfer rate constant (ks) were calculated to be 3.77×10(-10) mol cm(-2) and 3.57 s(-1), respectively. The fabricated amperometric biosensor detects glucose in wide linear concentration range from 10 μM to 14.8 mM with high sensitivity of 5.0 9μA mM(-1) cm(-2). The sensor offered very low detection limit (LOD) of 1.6 μM. In addition, practical feasibility of the sensor has been explored in screen printing carbon electrode with accurate determination of glucose present in human blood serum and urine samples. Furthermore, the sensor exhibited appreciable stability, repeatability and reproducibility results. Copyright © 2014 Elsevier Inc. All rights reserved.

Computational analysis of a novel mutation in ETFDH gene highlights its long-range effects on the FAD-binding motif.

PubMed

Er, Tze-Kiong; Chen, Chih-Chieh; Liu, Yen-Yi; Chang, Hui-Chiu; Chien, Yin-Hsiu; Chang, Jan-Gowth; Hwang, Jenn-Kang; Jong, Yuh-Jyh

2011-10-21

Multiple acyl-coenzyme A dehydrogenase deficiency (MADD) is an autosomal recessive disease caused by the defects in the mitochondrial electron transfer system and the metabolism of fatty acids. Recently, mutations in electron transfer flavoprotein dehydrogenase (ETFDH) gene, encoding electron transfer flavoprotein:ubiquinone oxidoreductase (ETF:QO) have been reported to be the major causes of riboflavin-responsive MADD. To date, no studies have been performed to explore the functional impact of these mutations or their mechanism of disrupting enzyme activity. High resolution melting (HRM) analysis and sequencing of the entire ETFDH gene revealed a novel mutation (p.Phe128Ser) and the hotspot mutation (p.Ala84Thr) from a patient with MADD. According to the predicted 3D structure of ETF:QO, the two mutations are located within the flavin adenine dinucleotide (FAD) binding domain; however, the two residues do not have direct interactions with the FAD ligand. Using molecular dynamics (MD) simulations and normal mode analysis (NMA), we found that the p.Ala84Thr and p.Phe128Ser mutations are most likely to alter the protein structure near the FAD binding site as well as disrupt the stability of the FAD binding required for the activation of ETF:QO. Intriguingly, NMA revealed that several reported disease-causing mutations in the ETF:QO protein show highly correlated motions with the FAD-binding site. Based on the present findings, we conclude that the changes made to the amino acids in ETF:QO are likely to influence the FAD-binding stability.

Computational analysis of a novel mutation in ETFDH gene highlights its long-range effects on the FAD-binding motif

PubMed Central

2011-01-01

Background Multiple acyl-coenzyme A dehydrogenase deficiency (MADD) is an autosomal recessive disease caused by the defects in the mitochondrial electron transfer system and the metabolism of fatty acids. Recently, mutations in electron transfer flavoprotein dehydrogenase (ETFDH) gene, encoding electron transfer flavoprotein:ubiquinone oxidoreductase (ETF:QO) have been reported to be the major causes of riboflavin-responsive MADD. To date, no studies have been performed to explore the functional impact of these mutations or their mechanism of disrupting enzyme activity. Results High resolution melting (HRM) analysis and sequencing of the entire ETFDH gene revealed a novel mutation (p.Phe128Ser) and the hotspot mutation (p.Ala84Thr) from a patient with MADD. According to the predicted 3D structure of ETF:QO, the two mutations are located within the flavin adenine dinucleotide (FAD) binding domain; however, the two residues do not have direct interactions with the FAD ligand. Using molecular dynamics (MD) simulations and normal mode analysis (NMA), we found that the p.Ala84Thr and p.Phe128Ser mutations are most likely to alter the protein structure near the FAD binding site as well as disrupt the stability of the FAD binding required for the activation of ETF:QO. Intriguingly, NMA revealed that several reported disease-causing mutations in the ETF:QO protein show highly correlated motions with the FAD-binding site. Conclusions Based on the present findings, we conclude that the changes made to the amino acids in ETF:QO are likely to influence the FAD-binding stability. PMID:22013910

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

Guo, Ying; Liu, Tao; Wang, Ning

We report on high-efficiency planar heterojunction perovskite solar cells (PSCs) employing Ni-doped alpha-Fe2O3 as electron-transporting layer (ETL). The suitable addition of nickel (Ni) dopant could enhance the electron conductivity as well as induce downward shift of the conduction band minimum for alpha-Fe2O3, which facilitate electrons injection and transfer from the conduction band of the perovskite. As a consequence, a substantial reduction in the charge accumulation at the perovskite/ETL interface makes the device much less sensitive to scanning rate and direction, i.e., lower hysteresis. With a reverse scan for the optimized PSC under standard AM-1.5 sunlight illumination, it generates a competitivemore » power conversion efficiency (PCE) of 14.2% with a large short circuit current (J(sc)) of 22.35 mA/cm(2), an open circuit photovoltage (V-oc) of 0.92 V and a fill factor (FF) of 69.1%. Due to the small J-V hysteresis behavior, a higher stabilized PCE up to 11.6% near the maximum power point can be reached for the device fabricated with 4 mol% Ni-doped alpha-Fe2O3 ETL compared with the undoped alpha-Fe2O3 based cell (9.2%). Furthermore, a good stability of devices with exposure to ambient air and high levels of ultraviolet (UV)-light can be achieved. Overall, our results demonstrate that the simple solution-processed Ni-doped alpha-Fe2O3 can be a good candidate of the n-type collection layer for commercialization of PSCs.« less

Synthesis of octahedral like Cu-BTC derivatives derived from MOF calcined under different atmosphere for application in CO oxidation

NASA Astrophysics Data System (ADS)

Yang, Yiqiong; Dong, Han; Wang, Yin; He, Chi; Wang, Yuxin; Zhang, Xiaodong

2018-02-01

A series of octahedral structure Cu-BTC derivatives were successfully achieved through direct calcination of copper based metal organic framework Cu-BTC under different atmosphere (CO reaction gas, oxidizing gas O2, reducing gas H2, inert gas Ar). The Cu-BTC derivatives were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), laser Raman spectroscopy (LRS), N2 adsorption-desorption isotherm, element analysis, H2-temperature program reduction (H2-TPR) and X-ray photoelectron spectroscopic (XPS). It is found that Cu-BTC derivative derived from MOF calcined under reaction gas/O2 (Cu-BTC-CO/Cu-BTC-O) only retain Cu2O and CuO species. In addition, a weak Cu-BTC structure and Cu particles were observed on Cu-BTC derivative derived from MOF calcined under H2 (Cu-BTC-H). Obviously differently, Cu-BTC derivative derived from MOF calcined under Ar (Cu-BTC-Ar) still retains good MOF structure. The catalytic performance for CO oxidation over Cu-BTC derivatives was studied. It was found that Cu-BTC-CO showed a smaller specific surface area (8.0 m2/g), but presented an excellent catalytic performance, long-term stability and cycling stability with a complete CO conversion temperature (T100) of 140 °C, which was ascribed to the higher Cu2O/CuO ratio, good low temperature reduction behavior and a high quantity of surface active oxygen species.

Fabrication of a biofuel cell improved by the π-conjugated electron pathway effect induced from a new enzyme catalyst employing terephthalaldehyde

NASA Astrophysics Data System (ADS)

Chung, Yongjin; Hyun, Kyu Hwan; Kwon, Yongchai

2015-12-01

A model explaining the π-conjugated electron pathway effect induced by a novel cross-linker adopted enzyme catalyst is suggested and the performance and stability of an enzymatic biofuel cell (EBC) adopting the new catalyst are evaluated. For this purpose, new terephthalaldehyde (TPA) and conventional glutaraldehyde (GA) cross-linkers are adopted on a glucose oxidase (GOx), polyethyleneimine (PEI) and carbon nanotube (CNT)(GOx/PEI/CNT) structure. GOx/PEI/CNT cross-linked by TPA (TPA/[GOx/PEI/CNT]) results in a superior EBC performance and stability to other catalysts. It is attributed to the π bonds conjugated between the aldehyde of TPA and amine of the GOx/PEI molecules. By π conjugation, electrons bonded with carbon and nitrogen are delocalized, promoting the electron transfer and catalytic activity with an excellent EBC performance. The maximum power density (MPD) of an EBC adopting TPA/[GOx/PEI/CNT] (0.66 mW cm-2) is far better than that of the other EBCs (the MPD of EBC adopting GOx/PEI/CNT is 0.40 mW cm-2). Regarding stability, the covalent bonding formed between TPA and GOx/PEI plays a critical role in preventing the denaturation of GOx molecules, leading to an excellent stability. By repeated measurements of the catalytic activity, TPA/[GOx/PEI/CNT] maintains its activity to 92% of its initial value even after five weeks.A model explaining the π-conjugated electron pathway effect induced by a novel cross-linker adopted enzyme catalyst is suggested and the performance and stability of an enzymatic biofuel cell (EBC) adopting the new catalyst are evaluated. For this purpose, new terephthalaldehyde (TPA) and conventional glutaraldehyde (GA) cross-linkers are adopted on a glucose oxidase (GOx), polyethyleneimine (PEI) and carbon nanotube (CNT)(GOx/PEI/CNT) structure. GOx/PEI/CNT cross-linked by TPA (TPA/[GOx/PEI/CNT]) results in a superior EBC performance and stability to other catalysts. It is attributed to the π bonds conjugated between the aldehyde of TPA and amine of the GOx/PEI molecules. By π conjugation, electrons bonded with carbon and nitrogen are delocalized, promoting the electron transfer and catalytic activity with an excellent EBC performance. The maximum power density (MPD) of an EBC adopting TPA/[GOx/PEI/CNT] (0.66 mW cm-2) is far better than that of the other EBCs (the MPD of EBC adopting GOx/PEI/CNT is 0.40 mW cm-2). Regarding stability, the covalent bonding formed between TPA and GOx/PEI plays a critical role in preventing the denaturation of GOx molecules, leading to an excellent stability. By repeated measurements of the catalytic activity, TPA/[GOx/PEI/CNT] maintains its activity to 92% of its initial value even after five weeks. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr06703k

Gyrokinetic stability of electron-positron-ion plasmas

NASA Astrophysics Data System (ADS)

Mishchenko, A.; Zocco, A.; Helander, P.; Könies, A.

2018-02-01

The gyrokinetic stability of electron-positron plasmas contaminated by an ion (proton) admixture is studied in a slab geometry. The appropriate dispersion relation is derived and solved. Stable K-modes, the universal instability, the ion-temperature-gradient-driven instability, the electron-temperature-gradient-driven instability and the shear Alfvén wave are considered. It is found that the contaminated plasma remains stable if the contamination degree is below some threshold and that the shear Alfvén wave can be present in a contaminated plasma in cases where it is absent without ion contamination.

Influence of Internal DNA Pressure on Stability and Infectivity of Phage λ

PubMed Central

Bauer, D. W.; Evilevitch, A.

2016-01-01

Viruses must remain infectious while in harsh extracellular environments. An important aspect of viral particle stability for double-stranded DNA viruses is the energetically unfavorable state of the tightly confined DNA chain within the virus capsid creating pressures of tens of atmospheres. Here we study the influence of internal genome pressure on the thermal stability of viral particles. Using differential scanning calorimetry (DSC) to monitor genome loss upon heating, we find that internal pressure destabilizes the virion, resulting in a smaller activation energy barrier to trigger DNA release. These experiments are complemented by plaque assay and electron microscopy measurements to determine the influence of intra-capsid DNA pressure on the rates of viral infectivity loss. At higher temperatures (65 – 75 °C), failure to retain the packaged genome is the dominant mechanism of viral inactivation. Conversely, at lower temperatures (40 – 55 ºC), a separate inactivation mechanism dominates, which results in non-infectious particles that still retain their packaged DNA. Most significantly, both mechanisms of infectivity loss are directly influenced by internal DNA pressure, with higher pressure resulting in a more rapid rate of inactivation at all temperatures. PMID:26254570

The stability of DOTA-chelated radiopharmaceuticals within 225Ac decay pathway studied with density functional theory.

NASA Astrophysics Data System (ADS)

Karolak, Aleksandra; Khabibullin, Artem; Budzevich, Mikalai; Martinez, M.; Doliganski, Michael; McLaughlin, Mark; Woods, Lilia; Morse, David

Ligand structures encapsulating metal ions play a central role as contrast agents in Magnetic Resonance Imaging (MRI) or as agents delivering toxic cargo directly to tumor cells in targeted cancer therapy. The structural stability and interaction with solutions of such complexes are the key elements in understanding the foundation of delivery process. We present a comparative study for the 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA) chelated to radioactive isotopes of 225Ac, 221Fr, 217At, 213Bi and a control 68Gd. Using density functional theory methods we investigate the structural stability of complexes for cancer therapy including binding energies, charge transfer, electron densities. The van der Waals interactions are included in the simulations to take into account weak dispersion forces present in such structures. Our results reveal that Ac-DOTA, Bi-DOTA and Gd-DOTA are the most stable complexes in the group. We also show that the water environment is a key ingredient for the structural coordination of the DOTA structures. Support from the US Department of Energy under Grant No. DE-FG02-06ER46297 is acknowledged.

Amplitude-Stabilized Oscillator for a Capacitance-Probe Electrometer

NASA Technical Reports Server (NTRS)

Blaes, Brent R.; Schaefer, Rembrandt T.

2012-01-01

A multichannel electrometer voltmeter that employs a mechanical resonator maintained in sustained amplitude-stabilized oscillation has been developed for the space-based measurement of an Internal Electrostatic Discharge Monitor (IESDM) sensor. The IESDM is new sensor technology targeted for integration into a Space Environmental Monitor (SEM) subsystem used for the characterization and monitoring of deep dielectric charging on spacecraft. Creating a stable oscillator from the mechanical resonator was achieved by employing magnetic induction for sensing the resonator s velocity, and forcing a current through a coil embedded in the resonator to produce a Lorentz actuation force that overcomes the resonator s dissipative losses. Control electronics employing an AGC loop provide conditions for stabilized, constant amplitude harmonic oscillation. The prototype resonator was composed of insulating FR4 printed-wireboard (PWB) material containing a flat, embedded, rectangular coil connected through flexure springs to a base PWB, and immersed in a magnetic field having two regions of opposite field direction generated by four neodymium block magnets. In addition to maintaining the mechanical movement needed for the electrometer s capacitor-probe transducer, this oscillator provides a reference signal for synchronous detection of the capacitor probe s output signal current so drift of oscillation frequency due to environmental effects is inconsequential.

The composition dependence of magnetic, electronic and optical properties of Mn-doped SixGe1-x nanowires

NASA Astrophysics Data System (ADS)

Wei, Jianglin; Lan, Mu; Zhang, Xi; Xiang, Gang

2017-07-01

Mn-doped SixGe1-x nanowires (NWs) with different Ge concentrations have been studied by first-principles calculations. It is found that the spin dependent energy bands of the NWs show rich variations both in bandgap width and type (from indirect to direct) as the Ge concentration changes. The Mn-doped SixGe1-x NWs exhibit half-metallic characteristics for all Ge concentrations, and the ground states of the NWs are found to be ferromagnetic (FM). The net magnetization mapping and spin density of states calculations reveal that Mn 3d electrons have a strong hybridization effect with nearest Ge 4p electrons, which results in the Ge’s nontrivial contribution to the magnetic moment of the NWs. Further magnon dispersion studies show that the magnetic order stability of the NWs is influenced by Ge concentrations. Finally, the dependence of the optical properties of the magnetic NWs on the Ge concentration is demonstrated. Our results suggest that Mn-doped SixGe1-x NWs may be useful in spintronic and optoelectronic devices.

Strain-mediated electronic properties of pristine and Mn-doped GaN monolayers

NASA Astrophysics Data System (ADS)

Sharma, Venus; Srivastava, Sunita

2018-04-01

Graphene-like two-dimensional (2D) monolayer structures GaN has gained enormous amount of interest due to high thermal stability and inherent energy band gap for practical applications. First principles calculations are performed to investigate the electronic structure and strain-mediated electronic properties of pristine and Mn-doped GaN monolayer. Binding energy of Mn dopant at various adsorption site is found to be nearly same indicating these sites to be equally favorable for adsorption of foreign atom. Depending on the adsorption site, GaN monolayer can act as p-type or n-type magnetic semiconductor. The tensile strength of both pristine and doped GaN monolayer (∼24 GPa) at ultimate tensile strain of 34% is comparable with the tensile strength of graphene. The in-plane biaxial strain modulate the energy band gap of both pristine and doped-monolayer from direct to indirect gap semiconductor and finally retendered theme into metal at critical value of applied strain. These characteristics make GaN monolayer to be potential candidate for the future applications in tunable optoelectronics.

Organic memory capacitor device fabricated with Ag nanoparticles.

PubMed

Kim, Yo-Han; Jung, Sung Mok; Hu, Quanli; Kim, Yong-Sang; Yoon, Tae-Sik; Lee, Hyun Ho

2011-07-01

In this study, it is demonstrated that an organic memory structure using pentacene and citrate-stabilized silver nanoparticles (Ag NPs) as charge storage elements on dielectric SiO2 layer and silicon substrate. The Ag NPs were synthesized by thermal reduction method of silver trifluoroacetate with oleic acid. The synthesized Ag NPs were analyzed with high resolution transmission electron microscopy (HRTEM) and selected area electron diffraction (SAED) for their crystalline structure. The capacitance versus voltage (C-V) curves obtained for the Ag NPs embedded capacitor exhibited flat-band voltage shifts, which demonstrated the presence of charge storages. The citrate-capping of the Ag NPs was confirmed by ultraviolet-visible (UV-VIS) and Fourier transformed infrared (FTIR) spectroscopy. With voltage sweeping of +/-7 V, a hysteresis loop having flatband voltage shift of 7.1 V was obtained. The hysteresis loop showed a counter-clockwise direction. In addition, electrical performance test for charge storage showed more than 10,000 second charge retention time. The device with Ag NPs can be applied to an organic memory device for flexible electronics.

Electrically tunable magnetic configuration on vacancy-doped GaSe monolayer

NASA Astrophysics Data System (ADS)

Tang, Weiqing; Ke, Congming; Fu, Mingming; Wu, Yaping; Zhang, Chunmiao; Lin, Wei; Lu, Shiqiang; Wu, Zhiming; Yang, Weihuang; Kang, Junyong

2018-03-01

Group-IIIA metal-monochalcogenides with the enticing properties have attracted tremendous attention across various scientific disciplines. With the aim to satisfy the multiple demands of device applications, here we report a design framework on GaSe monolayer in an effort to tune the electronic and magnetic properties through a dual modulation of vacancy doping and electric field. A half-metallicity with a 100% spin polarization is generated in a Ga vacancy doped GaSe monolayer due to the nonbonding 4p electronic orbital of the surrounding Se atoms. The stability of magnetic moment is found to be determined by the direction of applied electric field. A switchable magnetic configuration in Ga vacancy doped GaSe monolayer is achieved under a critical electric field of 0.6 V/Å. Electric field induces redistribution of the electronic states. Finally, charge transfers are found to be responsible for the controllable magnetic structure in this system. The magnetic modulation on GaSe monolayer in this work offers some references for the design and fabrication of tunable two-dimensional spintronic device.

Laser Radiation Pressure Acceleration of Monoenergetic Protons in an Ultra-Thin Foil

NASA Astrophysics Data System (ADS)

Eliasson, Bengt; Liu, Chuan S.; Shao, Xi; Sagdeev, Roald Z.; Shukla, Padma K.

2009-11-01

We present theoretical and numerical studies of the acceleration of monoenergetic protons in a double layer formed by the laser irradiation of an ultra-thin film. The stability of the foil is investigated by direct Vlasov-Maxwell simulations for different sets of laser-plasma parameters. It is found that the foil is stable, due to the trapping of both electrons and ions in the thin laser-plasma interaction region, where the electrons are trapped in a potential well composed of the ponderomo-tive potential of the laser light and the electrostatic potential due to the ions, and the ions are trapped in a potential well composed of the inertial potential in an accelerated frame and the electrostatic potential due to the electrons. The result is a stable double layer, where the trapped ions are accelerated to monoenergetic energies up to 100 MeV and beyond, which makes them suitable for medical applications cancer treatment. The underlying physics of trapped and untapped ions in a double layer is also investigated theoretically and numerically.

A Pyridine Alkoxide Chelate Ligand That Promotes Both Unusually High Oxidation States and Water-Oxidation Catalysis

DOE PAGES

Michaelos, Thoe K.; Shopov, Dimitar Y.; Sinha, Shashi Bhushan; ...

2017-03-08

Here, water-oxidation catalysis is a critical bottleneck in the direct generation of solar fuels by artificial photosynthesis. Catalytic oxidation of difficult substrates such as water requires harsh conditions, so that the ligand must be designed both to stabilize high oxidation states of the metal center and to strenuously resist ligand degradation. Typical ligand choices either lack sufficient electron donor power or fail to stand up to the oxidizing conditions. This research on Ir-based water-oxidation catalysts (WOCs) has led us to identify a ligand, 2-(2'-pyridyl)-2-propanoate or “pyalk” that fulfills these requirements.

Solvation of excess electrons trapped in charge pockets on molecular surfaces

NASA Astrophysics Data System (ADS)

Jalbout, Abraham F.

This work considers the ability of hydrogen fluoride (HF) to solvate excess electrons located on cyclic hydrocarbon surfaces. The principle applied involves the formation of systems in which excess electrons can be stabilized not only on concentrated molecular surface charge pockets but also by HF. Recent studies have shown that OH groups can form stable hydrogen-bonded networks on one side of a hydrocarbon surface (i.e. cyclohexane sheets), at the same time, the hydrogen atoms on the opposite side of this surface form a pocket of positive charge can attract the excess electron. This density can be further stabilized by the addition of an HF molecule that can form an 'anion with an internally solvated electron' (AISE) state. These systems are shown to be stable with respect to vertical electron detachment (VDE).

Relaxation pathways of photoexcited iodide-methanol clusters: a computational investigation.

PubMed

Mak, Chun C; Peslherbe, Gilles H

2014-06-26

Upon photoexcitation of iodide-methanol clusters, I(-)(CH3OH)n, to a charge-transfer-to-solvent (CTTS) excited state, extensive relaxation was found to occur, accompanied by a convoluted modulation of the stability of the excited electron, which ultimately decreases substantially. In order to develop a molecular-level understanding of the relaxation processes of CTTS excited I(-)(CH3OH)n, high-level quantum chemical calculations are first used to investigate the ground, excited, and ionized states of I(-)(CH3OH)n (n = 2). Because of the relatively small size of I(-)(CH3OH)2, it was possible to characterize the contributions of solvent-solvent interactions to the stability of the CTTS excited cluster relative to dissociation into methanol, iodine, and a free electron, which exhibits a substantial dependence on the cluster geometric configuration. Ab initio molecular dynamics simulations of CTTS excited I(-)(CH3OH)3 are then performed to shed some light onto the nature of the relaxation pathways involved in the modulation of the stability of the excited electron in larger clusters. Simulation results suggest that separation of I and (CH3OH)3(-) accompanied by solvent reorganization in the latter can initially stabilize the excited electron, while gradual cluster fragmentation to I, (CH3OH)2(-), and CH3OH ultimately destabilizes it. This work shows, for the first time, that the inability of small CTTS excited I(-)(CH3OH)n to retain a solvated electron may be attributed to the limited hydrogen-bonding capacity of CH3OH, which increases the propensity for fragmentation to smaller clusters with lower excess-electron binding energies, and highlights the critical role of intricate molecular interactions in the electron solvation process.

Interfaces in Heterogeneous Catalysts: Advancing Mechanistic Understanding through Atomic-Scale Measurements.

PubMed

Gao, Wenpei; Hood, Zachary D; Chi, Miaofang

2017-04-18

Developing novel catalysts with high efficiency and selectivity is critical for enabling future clean energy conversion technologies. Interfaces in catalyst systems have long been considered the most critical factor in controlling catalytic reaction mechanisms. Interfaces include not only the catalyst surface but also interfaces within catalyst particles and those formed by constructing heterogeneous catalysts. The atomic and electronic structures of catalytic surfaces govern the kinetics of binding and release of reactant molecules from surface atoms. Interfaces within catalysts are introduced to enhance the intrinsic activity and stability of the catalyst by tuning the surface atomic and chemical structures. Examples include interfaces between the core and shell, twin or domain boundaries, or phase boundaries within single catalyst particles. In supported catalyst nanoparticles (NPs), the interface between the metallic NP and support serves as a critical tuning factor for enhancing catalytic activity. Surface electronic structure can be indirectly tuned and catalytically active sites can be increased through the use of supporting oxides. Tuning interfaces in catalyst systems has been identified as an important strategy in the design of novel catalysts. However, the governing principle of how interfaces contribute to catalyst behavior, especially in terms of interactions with intermediates and their stability during electrochemical operation, are largely unknown. This is mainly due to the evolving nature of such interfaces. Small changes in the structural and chemical configuration of these interfaces may result in altering the catalytic performance. These interfacial arrangements evolve continuously during synthesis, processing, use, and even static operation. A technique that can probe the local atomic and electronic interfacial structures with high precision while monitoring the dynamic interfacial behavior in situ is essential for elucidating the role of interfaces and providing deeper insight for fine-tuning and optimizing catalyst properties. Scanning transmission electron microscopy (STEM) has long been a primary characterization technique used for studying nanomaterials because of its exceptional imaging resolution and simultaneous chemical analysis. Over the past decade, advances in STEM, that is, the commercialization of both aberration correctors and monochromators, have significantly improved the spatial and energy resolution. Imaging atomic structures with subangstrom resolution and identifying chemical species with single-atom sensitivity are now routine for STEM. These advancements have greatly benefitted catalytic research. For example, the roles of lattice strain and surface elemental distribution and their effect on catalytic stability and reactivity have been well documented in bimetallic catalysts. In addition, three-dimensional atomic structures revealed by STEM tomography have been integrated in theoretical modeling for predictive catalyst NP design. Recent developments in stable electronic and mechanical devices have opened opportunities to monitor the evolution of catalysts in operando under synthesis and reaction conditions; high-speed direct electron detectors have achieved sub-millisecond time resolutions and allow for rapid structural and chemical changes to be captured. Investigations of catalysts using these latest microscopy techniques have provided new insights into atomic-level catalytic mechanisms. Further integration of new microscopy methods is expected to provide multidimensional descriptions of interfaces under relevant synthesis and reaction conditions. In this Account, we discuss recent insights on understanding catalyst activity, selectivity, and stability using advanced STEM techniques, with an emphasis on how critical interfaces dictate the performance of precious metal-based heterogeneous catalysts. The role of extended interfacial structures, including those between core and shell, between separate phases and twinned grains, between the catalyst surface and gas, and between metal and support are discussed. We also provide an outlook on how emerging electron microscopy techniques, such as vibrational spectroscopy and electron ptychography, will impact future catalysis research.

Adaptive integral backstepping sliding mode control for opto-electronic tracking system based on modified LuGre friction model

NASA Astrophysics Data System (ADS)

Yue, Fengfa; Li, Xingfei; Chen, Cheng; Tan, Wenbin

2017-12-01

In order to improve the control accuracy and stability of opto-electronic tracking system fixed on reef or airport under friction and external disturbance conditions, adaptive integral backstepping sliding mode control approach with friction compensation is developed to achieve accurate and stable tracking for fast moving target. The nonlinear observer and slide mode controller based on modified LuGre model with friction compensation can effectively reduce the influence of nonlinear friction and disturbance of this servo system. The stability of the closed-loop system is guaranteed by Lyapunov theory. The steady-state error of the system is eliminated by integral action. The adaptive integral backstepping sliding mode controller and its performance are validated by a nonlinear modified LuGre dynamic model of the opto-electronic tracking system in simulation and practical experiments. The experiment results demonstrate that the proposed controller can effectively realise the accuracy and stability control of opto-electronic tracking system.

47 CFR 101.507 - Frequency stability.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 47 Telecommunication 5 2010-10-01 2010-10-01 false Frequency stability. 101.507 Section 101.507 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES FIXED MICROWAVE SERVICES 24 GHz Service and Digital Electronic Message Service § 101.507 Frequency stability. The frequency...

Fiber-optic delay-line stabilization of heterodyne optical signal generator and method using same

NASA Technical Reports Server (NTRS)

Logan, Ronald T. (Inventor)

1997-01-01

The present invention is a laser heterodyne frequency generator system with a stabilizer for use in the microwave and millimeter-wave frequency ranges utilizing a photonic mixer as a photonic phase detector in a stable optical fiber delay-line. Phase and frequency fluctuations of the heterodyne laser signal generators are stabilized at microwave and millimeter wave frequencies by a delay line system operating as a frequency discriminator. The present invention is free from amplifier and mixer 1/.function. noise at microwave and millimeter-wave frequencies that typically limit phase noise performance in electronic cavity stabilized electronic oscillators. Thus, 1/.function. noise due to conventional mixers is eliminated and stable optical heterodyne generation of electrical signals is achieved.

Template-directed synthesis of linear porphyrin oligomers: classical, Vernier and mutual Vernier† †Electronic supplementary information (ESI) available: Synthesis and characterization of new compounds, ladder complexes, UV-vis-NIR titrations and binding data for reference compounds and for the formation of linear oligomer complexes, calculation of effective molarities, analytical GPC calibration and molar absorption coefficients. See DOI: 10.1039/c6sc05355f Click here for additional data file.

PubMed Central

Kamonsutthipaijit, Nuntaporn

2017-01-01

Three different types of template-directed syntheses of linear porphyrin oligomers are presented. In the classical approach the product has the same number of binding sites as the template, whereas in Vernier reactions the product has the lowest common multiple of the numbers of binding sites in the template and the building block. Mutual Vernier templating is like Vernier templating except that both strands of the Vernier complex undergo coupling simultaneously, so that it becomes impossible to say which is the ‘template’ and which is the ‘building block’. The template-directed synthesis of monodisperse linear oligomers is more difficult than that of cyclic oligomers, because the products of linear templating have reactive ends. All three types of templating are demonstrated here, and used to prepare a nickel(ii) porphyrin dodecamer with 4-pyridyl substituents on all twelve porphyrin units. The stabilities and cooperativities of the double-strand complexes involved in these reactions were investigated by UV-vis-NIR titration. The four-rung ladder duplex has a stability constant of about 2 × 1018 M–1 in dichloromethane at 298 K. PMID:28553508

Synthesis of free-standing carbon nanohybrid by directly growing carbon nanotubes on air-sprayed graphene oxide paper and its application in supercapacitor

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

Wei, Li; Jiang, Wenchao; Yuan, Yang

We report the synthesis of a free-standing two dimensional carbon nanotube (CNT)-reduced graphene oxide (rGO) hybrid by directly growing CNTs on air-sprayed GO paper. As a result of the good integration between CNTs and thermally reduced GO film during chemical vapor deposition, excellent electrical conductivity (2.6×10{sup 4} S/m), mechanical flexibility (electrical resistance only increases 1.1% after bent to 90° for 500 times) and a relatively large surface area (335.3 m{sup 2}/g) are achieved. Two-electrode supercapacitor assembled using the CNT–rGO hybrids in ionic liquid electrolyte (1-ethyl-3-methylimidazolium tetrafluoroborate) shows excellent stability upon 500 bending cycles with the gravimetric energy density measuring 23.7more » Wh/kg and a power density of 2.0 kW/kg. Furthermore, it shows an impedance phase angle of −64.4° at a frequency of 120 Hz, suggesting good potentials for 120 Hz alternating current line filtering applications. - Graphical abstract: Flexible and highly conductive carbon nanotube-reduced graphene oxide nanohybrid. - Highlights: • Direct growth of carbon nanotubes by chemical vapor deposition on air-sprayed graphene oxide paper. • Two-dimensional carbon nanohybrid with excellent conductivity and mechanical flexibility. • Supercapacitor with excellent performance stability upon mechanical deformation for flexible electronics applications. • Supercapacitor with high impedance phase angle for 120 Hz alternating current line filtering applications.« less

Micromachined silicon acoustic delay line with improved structural stability and acoustic directivity for real-time photoacoustic tomography

NASA Astrophysics Data System (ADS)

Cho, Young; Kumar, Akhil; Xu, Song; Zou, Jun

2017-03-01

Recent studies have shown that micromachined silicon acoustic delay lines can provide a promising solution to achieve real-time photoacoustic tomography without the need for complex transducer arrays and data acquisition electronics. However, as its length increases to provide longer delay time, the delay line becomes more vulnerable to structural instability due to reduced mechanical stiffness. In addition, the small cross-section area of the delay line results in a large acoustic acceptance angle and therefore poor directivity. To address these two issues, this paper reports the design, fabrication, and testing of a new silicon acoustic delay line enhanced with 3D printed polymer micro linker structures. First, mechanical deformation of the silicon acoustic delay line (with and without linker structures) under gravity was simulated by using finite element method. Second, the acoustic crosstalk and acoustic attenuation caused by the polymer micro linker structures were evaluated with both numerical simulation and ultrasound transmission testing. The result shows that the use of the polymer micro linker structures significantly improves the structural stability of the silicon acoustic delay lines without creating additional acoustic attenuation and crosstalk. In addition, a new tapered design for the input terminal of the delay line was also investigate to improve its acoustic directivity by reducing the acoustic acceptance angle. These two improvements are expected to provide an effective solution to eliminate current limitations on the achievable acoustic delay time and out-of-plane imaging resolution of micromachined silicon acoustic delay line arrays.

XRD, TEM, and thermal analysis of Arizona Ca-montmorillonites modified with didodecyldimethylammonium bromide.

PubMed

Sun, Zhiming; Park, Yuri; Zheng, Shuilin; Ayoko, Godwin A; Frost, Ray L

2013-10-15

An Arizona SAz-2 calcium montmorillonite was modified by a typical dialkyl cationic surfactant (didodecyldimethylammonium bromide, abbreviated to DDDMA) through direct ion exchange. The obtained organoclays were characterized by X-ray diffraction (XRD), high-resolution transmission electron microscopy (HR-TEM), high-resolution thermogravimetric analysis (HR-TG), and infrared emission spectroscopy (IES). The intercalation of surfactants greatly increased the basal spacing of the interlayers and the conformation arrangement of the loaded surfactant were assessed based on the XRD and TEM measurements. This work shows that the dialkyl surfactant can be directly intercalated into the montmorillonite without first undergoing Na(+) exchange. Moreover, the thermal stability of organoclays and the different arrangements of the surfactant molecules intercalated in the SAz-2 Ca-montmorillonite were determined by a combination of TG and IES techniques. The detailed conformational ordering of different intercalated surfactants under different conditions was also studied. The surfactant molecule DDDMA has proved to be thermally stable even at 400°C which indicates that the prepared organoclay is stable to significantly high temperatures. This study offers new insights into the structure and thermal stabilities of SAz-2 Ca-montmorillonite modified with DDDMA. The experimental results also confirm the potential applications of organic SAz-2 Ca-montmorillonites as adsorbents and polymer-clay nanocomposites. Copyright © 2013 Elsevier Inc. All rights reserved.

First Principles Study of Electronic Band Structure and Structural Stability of Al2C Monolayer and Nanotubes

NASA Astrophysics Data System (ADS)

Pramchu, S.; Jaroenjittichai, A. P.; Laosiritaworn, Y.

2017-09-01

We used density functional theory (DFT) based on generalized gradient approximation (GGA) and hybrid functional (HSE06) to investigate band gap and structural stability of Al2C monolayer and nanotubes. From the results, both GGA and HSE06 band gaps of Al2C monolayer agree well with previously reported data. For the Al2C nanotubes, we found that their band gaps are more sensitive to the size and the chirality than that of the widely studied SiC2 nanotubes, indicating the Al2C nanotubes may have higher band gap tuning capabilities (with varying diameter size and chirality) compared with those of SiC2 nanotubes. We have also discovered a desirable direct band gap in the case of (n,0) nanotubes, although Al2C monolayer band gap is indirect. The calculated strain energy reveals that (n,0) nanotubes constructed by wrapping up Al2C monolayer consume less energy than (0,n) nanotubes. Thus, (n,0) nanotubes is easier to synthesize than (0,n) nanotubes. This discovery of direct band gap in (n,0) Al2C nanotubes and their adjustable band gap suggests them as promising sensitizer for enhancing power conversion efficiency of excitonic solar cells.

Spin-stabilized magnetic levitation without vertical axis of rotation

DOEpatents

Romero, Louis [Albuquerque, NM; Christenson, Todd [Albuquerque, NM; Aaronson, Gene [Albuquerque, NM

2009-06-09

The symmetry properties of a magnetic levitation arrangement are exploited to produce spin-stabilized magnetic levitation without aligning the rotational axis of the rotor with the direction of the force of gravity. The rotation of the rotor stabilizes perturbations directed parallel to the rotational axis.

Electrocatalytic oxidation of 2-mercaptoethanol using modified glassy carbon electrode by MWCNT in combination with unsymmetrical manganese (II) Schiff base complexes

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

Mohebbi, Sajjad, E-mail: smohebbi@uok.ac.ir; Eslami, Saadat

2015-06-15

Highlights: • High electocatalytic efficiency and stability of modified hybrid electrode GC/MWCNTs/MnSaloph. • Direct reflection of catalytic activity of manganese complexes on electrocatalytic oxidation of 2-ME. • Decreasing overpotential and increasing catalytic peak current toward oxidation of 2-ME. • Deposition of range of novel substituted N{sub 2}O{sub 2} Saloph complexes of manganese(II) on GCE/MWCNT. • Enhancement of electrocatalytic oxidation activity upon electron donating substitutions on the Saloph. - Abstract: The performance of modified hybrid glassy carbon electrode with composite of carbon nanotubes and manganese complexes for the electrocatalytic oxidation of 2-mercaptoethanol is developed. GC electrode was modified using MWCNT andmore » new N{sub 2}O{sub 2} unsymmetrical tetradentate Schiff base complexes of manganese namely Manganese Saloph complexes 1-5, with general formula Mn[(5-x-4-y-Sal)(5-x′-4-y′-Sal) Ph], where x, x′ = H, Br, NO{sub 2} and y, y′ = H, MeO. Direct immobilization of CNT on the surface of GCE is performed by abrasive immobilization, and then modified by manganese(II) complexes via direct deposition method. These novel modified electrodes clearly demonstrate the necessity of modifying bare carbon electrodes to endow them with the desired behavior and were identified by HRTEM. Also complexes were characterized by elemental analyses, MS, UV–vis and IR spectroscopy. Modified hybrid GC/MWCNT/MnSaloph electrode exhibits strong and stable electrocatalytic activity towards the electrooxidation of 2-mercaptoethanol molecules in comparison with bare glassy carbon electrode with advantages of very low over potential and high catalytic current. Such ability promotes the thiol’s electron transfer reaction. Also, electron withdrawing substituent on the Saloph was enhanced electrocatalytic oxidation activity.« less

Three-dimensionally ordered macroporous (3DOM) gold-nanoparticle-doped titanium dioxide (GTD) photonic crystals modified electrodes for hydrogen peroxide biosensor.

PubMed

Li, Jianlin; Han, Tao; Wei, Nannan; Du, Jiangyan; Zhao, Xiangwei

2009-12-15

Gold nanoparticles have been introduced into the wall framework of titanium dioxide photonic crystals by the colloidal crystal template technique. The three-dimensionally ordered macroporous gold-nanoparticle-doped titanium dioxide (3DOM GTD) film was modified on the indium-tin oxide (ITO) electrode surface and used for the hydrogen peroxide biosensor. The direct electron transfer and electrocatalysis of horseradish peroxidase (HRP) immobilized on this film have been investigated. The 3DOM GTD film could provide a good microenvironment for retaining the biological bioactivity, large internal area, and superior conductivity. The HRP/3DOM GTD/ITO electrode exhibited two couples of redox peaks corresponding to the HRP intercalated in the mesopores and adsorbed on the external surface of the film with the formal potential of -0.19 and -0.52V in 0.1M PBS (pH 7.4), respectively. The HRP intercalated in the mesopores showed a surface-controlled process with a single proton transfer. The direct electron transfer between the adsorbed HRP and the electrode is achieved without the aid of an electron mediator. The H(2)O(2) biosensor displayed a rapid eletrocatalytic response (less than 3s), a wide linear range from 0.5 microM to 1.4mM with a detection limit of 0.2 microM, high sensitivity (179.9 microAmM(-1)), good stability and reproducibility. Compared with the free-Au doped titanium dioxide photonic crystals modified electrode, the GTD modified electrode could greatly enhance the response current signal, linear detection range and higher sensitivity. The 3DOM GTD provided a new matrix for protein immobilization and direct transfer study and opened a way for low conductivity electrode biosensor.

Prediction of direct band gap silicon superlattices with dipole-allowed optical transition

NASA Astrophysics Data System (ADS)

Kim, Sunghyun; Oh, Young Jun; Lee, In-Ho; Lee, Jooyoung; Chang, K. J.

While cubic diamond silicon (c-Si) is an important element in electronic devices, it has poor optical properties owing to its indirect gap nature, thereby limiting its applications to optoelectronic devices. Here, we report Si superlattice structures which are computationally designed to possess direct band gaps and excellent optical properties. The computational approach adopts density functional calculations and conformational space annealing for global optimization. The Si superlattices, which consist of alternating stacks of Si(111) layers and a defective layer with Seiwatz chains, have either direct or quasi-direct band gaps depending on the details of attacking layers. The photovoltaic efficiencies are calculated by solving Bethe-Salpeter equation together with quasiparticle G0W0 calculations. The strong direct optical transition is attributed to the overlap of the valence and conduction band edge states in the interface region. Our Si superlattices exhibit high thermal stability, with the energies lower by an order of magnitude than those of the previously reported Si allotropes. We discuss a possible route to the synthesis of the superlattices through wafer bonding. This work is supported by Samsung Science and Technology Foundation under Grant No. SSTF-BA1401-08.

Considerations for opto-mechanical vs. digital stabilization in surveillance systems

NASA Astrophysics Data System (ADS)

Kowal, David

2015-05-01

Electro-optical surveillance and reconnaissance systems are frequently mounted on unstable or vibrating platforms such as ships, vehicles, aircraft and masts. Mechanical coupling between the platform and the cameras leads to angular vibration of the line of sight. Image motion during detector and eye integration times leads to image smear and a resulting loss of resolution. Additional effects are wavy images for detectors based on a rolling shutter mechanism and annoying movement of the image at low frequencies. A good stabilization system should yield sub-pixel stabilization errors and meet cost and size requirements. There are two main families of LOS stabilization methods: opto-mechanical stabilization and electronic stabilization. Each family, or a combination of both, can be implemented by a number of different techniques of varying complexity, size and cost leading to different levels of stabilization. Opto-mechanical stabilization is typically based on gyro readings, whereas electronic stabilization is typically based on gyro readings or image registration calculations. A few common stabilization techniques, as well as options for different gimbal arrangements will be described and analyzed. The relative merits and drawbacks of the different techniques and their applicability to specific systems and environments will be discussed. Over the years Controp has developed a large number of stabilized electro-optical payloads. A few examples of payloads with unique stabilization mechanisms will be described.

Attaching Be or Mg to BH3 results in the formation of BeBH3 and MgBH3 molecules capable of forming stable anions

NASA Astrophysics Data System (ADS)

Anusiewicz, Iwona; Skurski, Piotr

2018-04-01

Stability of BeBH3 and MgBH3 molecules and their (BeBH3)- and (MgBH3)- anions is investigated on the basis of correlated ab initio calculations. The electronic and thermodynamic stability of all species is confirmed by estimating the excess electron binding energies of the anions and by evaluating the Gibbs free energies for various fragmentation paths. The bonding effects in BeBH3 and MgBH3 have been identified as the result of alkaline earth metal ns2 lone-pair donation to the empty 2p boron orbital. Adiabatic and vertical electronic stabilities of the (BeBH3)- and (MgBH3)- anions were found to span 1.114-1.301 and 0.675-0.744 eV range, respectively.

Specimen charging in X-ray absorption spectroscopy: correction of total electron yield data from stabilized zirconia in the energy range 250-915 eV.

PubMed

Vlachos, Dimitrios; Craven, Alan J; McComb, David W

2005-03-01

The effects of specimen charging on X-ray absorption spectroscopy using total electron yield have been investigated using powder samples of zirconia stabilized by a range of oxides. The stabilized zirconia powder was mixed with graphite to minimize the charging but significant modifications of the intensities of features in the X-ray absorption near-edge fine structure (XANES) still occurred. The time dependence of the charging was measured experimentally using a time scan, and an algorithm was developed to use this measured time dependence to correct the effects of the charging. The algorithm assumes that the system approaches the equilibrium state by an exponential decay. The corrected XANES show improved agreement with the electron energy-loss near-edge fine structure obtained from the same samples.

Stabilization of Wide Band-Gap p-Type Wurtzite MnTe Thin Films on Amorphous Substrates

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

Zakutayev, Andriy A; Siol, Sebastian; Han, Yanbing

An important challenge in the development of optoelectronic devices for energy conversion applications is the search for suitable p-type contact materials. For example, p-type MnTe would be a promising alternative back contact to due to their chemical compatibility, but at normal conditions it has too narrow band gap due to octahedrally coordinated nickeline (NC) structure. The tetrahedrally coordinated wurtzite (WZ) polymorph of MnTe has not been reported, but it is especially interesting due to its predicted wider band gap, and because of better structural compatibility with CdTe and related II-VI semiconductor materials. Here, we report on the stabilization of WZ-MnTemore » thin films on amorphous indium zinc oxide (a-IZO) substrates relevant to photovoltaic applications. Optical spectroscopy of the WZ-MnTe films shows a wide direct band gap of Eg = 2.7 eV, while PES measurements reveal weak p-type doping with the Fermi level 0.6 eV above the valence band maximum. The results of electron microscopy and photoelectron spectroscopy (PES) measurements indicate that the WZ-MnTe is stabilized due to interdiffusion at the interface with IZO. The results of this work introduce a substrate stabilized WZ-MnTe polymorph as a potential p-type contact material candidate for future applications in CdTe devices for solar energy conversion and other optoelectronic technologies.« less

Activation of CO2 by supported Cu clusters.

PubMed

Iyemperumal, Satish Kumar; Deskins, N Aaron

2017-11-01

Catalytic reduction of carbon dioxide to useful chemicals is a potent way to mitigate this greenhouse gas, but the challenge lies in finding active reduction catalysts. Using density functional theory we studied CO 2 activation over TiO 2 -supported Cu clusters of size 1-4 atoms. The linear to bent transformation of CO 2 is necessary for activation, and we found that all the clusters stabilized bent CO 2 , along with a significant gain of electrons on the CO 2 (indicative of activation). On all the TiO 2 supported Cu clusters, the interfacial sites were found to stabilize the bent CO 2 adsorption, where the active site of adsorption on Cu dimer, trimer and tetramer was on the Cu atom farthest away from the TiO 2 surface. Particularly, the Cu dimer stabilized bent CO 2 very strongly, although this species was found to be unstable on the surface. A synthesis technique that could stabilize the Cu dimer could therefore lead to a very active catalyst. Furthermore we found (using vibrational and charge analysis) that the active sites for the CO 2 activation predominantly had 0 and +1 oxidation states; the oxidation state of Cu is known to directly affect CO 2 reduction activity. Our study shows TiO 2 -supported small Cu clusters can be active catalysts for CO 2 reduction and also provides further motivation for theoretical and experimental studies of metal clusters.

Design of Lead-Free Inorganic Halide Perovskites for Solar Cells via Cation-Transmutation.

PubMed

Zhao, Xin-Gang; Yang, Ji-Hui; Fu, Yuhao; Yang, Dongwen; Xu, Qiaoling; Yu, Liping; Wei, Su-Huai; Zhang, Lijun

2017-02-22

Hybrid organic-inorganic halide perovskites with the prototype material of CH 3 NH 3 PbI 3 have recently attracted intense interest as low-cost and high-performance photovoltaic absorbers. Despite the high power conversion efficiency exceeding 20% achieved by their solar cells, two key issues-the poor device stabilities associated with their intrinsic material instability and the toxicity due to water-soluble Pb 2+ -need to be resolved before large-scale commercialization. Here, we address these issues by exploiting the strategy of cation-transmutation to design stable inorganic Pb-free halide perovskites for solar cells. The idea is to convert two divalent Pb 2+ ions into one monovalent M + and one trivalent M 3+ ions, forming a rich class of quaternary halides in double-perovskite structure. We find through first-principles calculations this class of materials have good phase stability against decomposition and wide-range tunable optoelectronic properties. With photovoltaic-functionality-directed materials screening, we identify 11 optimal materials with intrinsic thermodynamic stability, suitable band gaps, small carrier effective masses, and low excitons binding energies as promising candidates to replace Pb-based photovoltaic absorbers in perovskite solar cells. The chemical trends of phase stabilities and electronic properties are also established for this class of materials, offering useful guidance for the development of perovskite solar cells fabricated with them.

Improved Stability and Performance of Visible Photoelectrochemical Water Splitting on Solution-Processed Organic Semiconductor Thin Films by Ultrathin Metal Oxide Passivation

DOE PAGES

Wang, Lei; Yan, Danhua; Shaffer, David W.; ...

2017-12-27

Solution-processable organic semiconductors have potentials as visible photoelectrochemical (PEC) water splitting photoelectrodes due to their tunable small band gap and electronic energy levels, but they are typically limited by poor stability and photocatalytic activity. In this study, we demonstrate the direct visible PEC water oxidation on solution-processed organic semiconductor thin films with improved stability and performance by ultrathin metal oxide passivation layers. N-type fullerene-derivative thin films passivated by sub-2 nm ZnO via atomic layer deposition enabled the visible PEC water oxidation at wavelengths longer than 600 nm in harsh alkaline electrolyte environments with up to 30 μA/cm 2 photocurrents atmore » the thermodynamic water-oxidation equilibrium potential and the photoanode half-lifetime extended to ~1000 s. The systematic investigation reveals the enhanced water oxidation catalytic activity afforded by ZnO passivation and the charge tunneling governing the hole transfer through passivation layers. Further enhanced PEC performances were realized by improving the bottom ohmic contact to the organic semiconductor, achieving ~60 μA/cm 2 water oxidation photocurrent at the equilibrium potential, the highest values reported for organic semiconductor thin films to our knowledge. The improved stability and performance of passivated organic photoelectrodes and discovered design rationales provide useful guidelines for realizing the stable visible solar PEC water splitting based on organic semiconductor thin films.« less

Bandgap Engineering of Stable Lead-Free Oxide Double Perovskites for Photovoltaics.

PubMed

Sun, Qingde; Wang, Jing; Yin, Wan-Jian; Yan, Yanfa

2018-04-01

Despite the rapid progress in solar power conversion efficiency of archetype organic-inorganic hybrid perovskite CH 3 NH 3 PbI 3 -based solar cells, the long-term stability and toxicity of Pb remain the main challenges for the industrial deployment, leading to more uncertainties for global commercialization. The poor stabilities of CH 3 NH 3 PbI 3 -based solar cells may not only be attributed to the organic molecules but also the halides themself, most of which exhibit intrinsic instability under moisture and light. As an alternative, the possibility of oxide perovskites for photovoltaic applications is explored here. The class of lead-free stable oxide double perovskites A 2 M(III)M(V)O 6 (A = Ca, Sr, Ba; M(III) = Sb 3+ or Bi 3+ ; M(V) = V 5+ , Nb 5+ , or Ta 5+ ) is comprehensively explored with regard to their stability and their electronic and optical properties. Apart from the strong stability, this class of double perovskites exhibits direct bandgaps ranging from 0.3 to 3.8 eV. With proper B site alloying, the bandgap can be tuned within the range of 1.0-1.6 eV with optical absorptions as strong as CH 3 NH 3 PbI 3 , making them suitable for efficient single-junction thin-film solar cell application. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Improved Stability and Performance of Visible Photoelectrochemical Water Splitting on Solution-Processed Organic Semiconductor Thin Films by Ultrathin Metal Oxide Passivation

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

Wang, Lei; Yan, Danhua; Shaffer, David W.

Solution-processable organic semiconductors have potentials as visible photoelectrochemical (PEC) water splitting photoelectrodes due to their tunable small band gap and electronic energy levels, but they are typically limited by poor stability and photocatalytic activity. In this study, we demonstrate the direct visible PEC water oxidation on solution-processed organic semiconductor thin films with improved stability and performance by ultrathin metal oxide passivation layers. N-type fullerene-derivative thin films passivated by sub-2 nm ZnO via atomic layer deposition enabled the visible PEC water oxidation at wavelengths longer than 600 nm in harsh alkaline electrolyte environments with up to 30 μA/cm 2 photocurrents atmore » the thermodynamic water-oxidation equilibrium potential and the photoanode half-lifetime extended to ~1000 s. The systematic investigation reveals the enhanced water oxidation catalytic activity afforded by ZnO passivation and the charge tunneling governing the hole transfer through passivation layers. Further enhanced PEC performances were realized by improving the bottom ohmic contact to the organic semiconductor, achieving ~60 μA/cm 2 water oxidation photocurrent at the equilibrium potential, the highest values reported for organic semiconductor thin films to our knowledge. The improved stability and performance of passivated organic photoelectrodes and discovered design rationales provide useful guidelines for realizing the stable visible solar PEC water splitting based on organic semiconductor thin films.« less

Photocatalytic activity and reusability of ZnO layer synthesised by electrolysis, hydrogen peroxide and heat treatment.

PubMed

Akhmal Saadon, Syaiful; Sathishkumar, Palanivel; Mohd Yusoff, Abdull Rahim; Hakim Wirzal, Mohd Dzul; Rahmalan, Muhammad Taufiq; Nur, Hadi

2016-08-01

In this study, the zinc oxide (ZnO) layer was synthesised on the surface of Zn plates by three different techniques, i.e. electrolysis, hydrogen peroxide and heat treatment. The synthesised ZnO layers were characterised using scanning electron microscopy, X-ray diffraction, UV-visible diffuse reflectance and photoluminescence spectroscopy. The photocatalytic activity of the ZnO layer was further assessed against methylene blue (MB) degradation under UV irradiation. The photocatalytic degradation of MB was achieved up to 84%, 79% and 65% within 1 h for ZnO layers synthesised by electrolysis, heat and hydrogen peroxide treatment, respectively. The reusability results show that electrolysis and heat-treated ZnO layers have considerable photocatalytic stability. Furthermore, the results confirmed that the photocatalytic efficiency of ZnO was directly associated with the thickness and enlarged surface area of the layer. Finally, this study proved that the ZnO layers synthesised by electrolysis and heat treatment had shown better operational stability and reusability.

Extracellular biosynthesis of silver nanoparticles: effects of shape-directing cetyltrimethylammonium bromide, pH, sunlight and additives.

PubMed

Hussain, Shokit; Akrema; Rahisuddin; Khan, Zaheer

2014-05-01

The work reported in this paper describes the preparation, morphology, stability and sensitivity of Ag-nanoparticles towards sunlight using Allium sativum, garlic extract for the first time. The synthesized silver particles show an intense surface plasmon resonance band in the visible region at 410 nm. The position of the wavelength maxima, blue and red shift, strongly depends on the sunlight and pH. TEM analysis revealed the presence of spherical, different size (from 5.0 to 30 nm) and garlic constituents bio-conjugated, stabilized and/or layered silver nanoparticles. The concentrations of garlic extract, cetyltrimethylammonium bromide, Ag(+) ions and reaction time play vital roles for nucleus formation and the growth processes. Sulfur-containing biomolecules of extract, especially cysteine, are responsible for the reduction of Ag(+) ions into metallic Ag(0). The agglomeration number of the silver nanoparticles (N Ag) and the average number of free electrons per particle (n fe) are calculated and discussed.

Phase Restructuring in Transition Metal Dichalcogenides for Highly Stable Energy Storage.

PubMed

Leng, Kai; Chen, Zhongxin; Zhao, Xiaoxu; Tang, Wei; Tian, Bingbing; Nai, Chang Tai; Zhou, Wu; Loh, Kian Ping

2016-09-28

Achieving homogeneous phase transition and uniform charge distribution is essential for good cycle stability and high capacity when phase conversion materials are used as electrodes. Herein, we show that chemical lithiation of bulk 2H-MoS 2 distorts its crystalline domains in three primary directions to produce mosaic-like 1T' nanocrystalline domains, which improve phase and charge uniformity during subsequent electrochemical phase conversion. 1T'-Li x MoS 2 , a macroscopic dense material with interconnected nanoscale grains, shows excellent cycle stability and rate capability in a lithium rechargeable battery compared to bulk or exfoliated-restacked MoS 2 . Transmission electron microscopy studies reveal that the interconnected MoS 2 nanocrystals created during the phase change process are reformable even after multiple cycles of galvanostatic charging/discharging, which allows them to play important roles in the long term cycling performance of the chemically intercalated TMD materials. These studies shed light on how bulk TMDs can be processed into quasi-2D nanophase material for stable energy storage.

Rational design of efficient electrode–electrolyte interfaces for solid-state energy storage using ion soft landing

DOE PAGES

Prabhakaran, Venkateshkumar; Mehdi, B. Layla; Ditto, Jeffrey J.; ...

2016-04-21

Here, the rational design of improved electrode-electrolyte interfaces (EEI) for energy storage is critically dependent on a molecular-level understanding of ionic interactions and nanoscale phenomena. The presence of non-redox active species at EEI has been shown to strongly influence Faradaic efficiency and long-term operational stability during energy storage processes. Herein, we achieve substantially higher performance and long-term stability of EEI prepared with highly-dispersed discrete redox-active cluster anions (50 ng of pure ~0.7 nm size molybdenum polyoxometalate anions (POM) anions on 25 mg (≈ 0.2 wt%) carbon nanotube (CNT) electrodes) by complete elimination of strongly coordinating non-redox species through ion soft-landingmore » (SL). For the first time, electron microscopy provides atomically-resolved images of individual POM species directly on complex technologically relevant CNT electrodes. In this context, SL is established as a versatile approach for the controlled design of novel surfaces for both fundamental and applied research in energy storage.« less

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.

Atomically thin gallium layers from solid-melt exfoliation

PubMed Central

Kochat, Vidya; Samanta, Atanu; Zhang, Yuan; Bhowmick, Sanjit; Manimunda, Praveena; Asif, Syed Asif S.; Stender, Anthony S.; Vajtai, Robert; Singh, Abhishek K.; Tiwary, Chandra S.; Ajayan, Pulickel M.

2018-01-01

Among the large number of promising two-dimensional (2D) atomic layer crystals, true metallic layers are rare. Using combined theoretical and experimental approaches, we report on the stability and successful exfoliation of atomically thin “gallenene” sheets on a silicon substrate, which has two distinct atomic arrangements along crystallographic twin directions of the parent α-gallium. With a weak interface between solid and molten phases of gallium, a solid-melt interface exfoliation technique is developed to extract these layers. Phonon dispersion calculations show that gallenene can be stabilized with bulk gallium lattice parameters. The electronic band structure of gallenene shows a combination of partially filled Dirac cone and the nonlinear dispersive band near the Fermi level, suggesting that gallenene should behave as a metallic layer. Furthermore, it is observed that the strong interaction of gallenene with other 2D semiconductors induces semiconducting to metallic phase transitions in the latter, paving the way for using gallenene as promising metallic contacts in 2D devices. PMID:29536039

A green method to prepare Pd-Ag nanoparticles supported on reduced graphene oxide and their electrochemical catalysis of methanol and ethanol oxidation

NASA Astrophysics Data System (ADS)

Li, Lingzhi; Chen, Mingxi; Huang, Guanbo; Yang, Nian; Zhang, Li; Wang, Huan; Liu, Yu; Wang, Wei; Gao, Jianping

2014-10-01

Bimetallic palladium-silver nanoparticles (NPs) supported on reduced oxide graphene (RGO) with different Pd/Ag ratios (Pd-Ag/RGO) were prepared by an easy green method which did not use any additional reducing agents or a dispersing agent. During the process, simultaneous redox reactions between AgNO3, K2PdCl4 and graphene oxide (GO) led to bimetallic Pd-Ag NPs. The morphology and composition of the Pd-Ag/RGO were characterized by transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, thermogravimetric analysis and Raman spectroscopy. Cyclic voltammetry and chronoamperometry were used to investigate the electrochemical activities and stabilities of these Pd-Ag/RGO catalysts for the electro-oxidation of methanol and ethanol in alkaline media. Among the different Pd/Ag ratios, the Pd-Ag (1:1)/RGO had the best catalytic activities and stability. So it is a promising catalyst for direct alcohol fuel cell applications.

Strong Quantum Size Effects in Pb(111) Thin Films Mediated by Anomalous Friedel Oscillations

NASA Astrophysics Data System (ADS)

Jia, Yu; Wu, Biao; Li, Chong; Einstein, T. L.; Weitering, H. H.; Zhang, Zhenyu

2010-08-01

Using first-principles calculations within density functional theory, we study Friedel oscillations (FOs) in the electron density at different metal surfaces and their influence on the lattice relaxation and stability of ultrathin metal films. We show that the FOs at the Pb(111) surface decay as 1/x with the distance x from the surface, different from the conventional 1/x2 power law at other metal surfaces. The underlying physical reason for this striking difference is tied to the strong nesting of the two different Fermi sheets along the Pb(111) direction. The interference of the strong FOs emanating from the two surfaces of a Pb(111) film, in turn, not only results in superoscillatory interlayer relaxations around the center of the film, but also determines its stability in the quantum regime. As a simple and generic picture, the present findings also explain why quantum size effects are exceptionally robust in Pb(111) films.

Innovative optronics for the new PUMA tank

NASA Astrophysics Data System (ADS)

Fritze, J.; Münzberg, M.; Schlemmer, H.

2010-04-01

The new PUMA tank is equipped with a fully stabilized 360° periscope. The thermal imager in the periscope is identical to the imager in the gunner sight. All optronic images of the cameras can be fed on every electronic display within the tank. The thermal imagers operate with a long wave 384x288 MCT starring focal plane array. The high quantum efficiency of MCT provides low NETD values at short integration times. The thermal imager has an image resolution of 768x576 pixels by means of a micro scanner. The MCT detector operates at high temperatures above 75K with high stability in noise and correctibility and offers high reliability (MTTF) values for the complete camera in a very compact design. The paper discusses the principle and functionality of the optronic combination of direct view optical channel, thermal imager and visible camera and discusses in detail the performances of the subcomponents with respect to demands for new tank applications.

Structural and preliminary molecular dynamics studies of the Rhodobacter sphaeroides reaction center and its mutant form L(M196)H + H(M202)L

NASA Astrophysics Data System (ADS)

Klyashtorny, V. G.; Fufina, T. Yu.; Vasilieva, L. G.; Shuvalov, V. A.; Gabdulkhakov, A. G.

2014-07-01

Pigment-protein interactions are responsible for the high efficiency of the light-energy transfer and conversion in photosynthesis. The reaction center (RC) from the purple bacterium Rhodobacter sphaeroides is the most convenient model for studying the mechanisms of primary processes of photosynthesis. Site-directed mutagenesis can be used to study the effect of the protein environment of electron-transfer cofactors on the optical properties, stability, pigment composition, and functional activity of RC. The preliminary analysis of RC was performed by computer simulation of the amino acid substitutions L(M196)H + H(M202)L at the pigment-protein interface and by estimating the stability of the threedimensional structure of the mutant RC by the molecular dynamics method. The doubly mutated reaction center was overexpressed, purified, and crystallized. The three-dimensional structure of this mutant was determined by X-ray crystallography and compared with the molecular dynamics model.

Ru-assisted synthesis of Pd/Ru nanodendrites with high activity for ethanol electrooxidation

NASA Astrophysics Data System (ADS)

Zhang, Ke; Bin, Duan; Yang, Beibei; Wang, Caiqin; Ren, Fangfang; Du, Yukou

2015-07-01

Due to the specific physical and chemical properties of a highly branched noble metal, the controllable synthesis has attracted much attention. This article reports the synthesis of Pd/Ru nanodendrites by a facile method using an oil bath in the presence of polyvinyl pyrrolidone, potassium bromide and ascorbic acid. The morphology, structure, and composition of the as-prepared catalysts were characterized by means of X-ray diffraction, X-ray photoelectron spectroscopy and transmission electron microscopy. In the electrochemical measurement, the as-prepared Pd7/Ru1 bimetallic nanodendrites provide a large electrochemically active surface area and exhibit high peak current density in the forward scan toward ethanol electrooxidation, which is nearly four times higher than those of a pure Pd catalyst. The as-prepared Pd7/Ru1 catalysts also exhibit significantly enhanced cycling stability toward ethanol oxidation in alkaline medium, which are mainly ascribed to the synergetic effect between Pd and Ru. This indicates that the Pd7/Ru1 catalysts should have great potential applications in direct ethanol fuel cells.Due to the specific physical and chemical properties of a highly branched noble metal, the controllable synthesis has attracted much attention. This article reports the synthesis of Pd/Ru nanodendrites by a facile method using an oil bath in the presence of polyvinyl pyrrolidone, potassium bromide and ascorbic acid. The morphology, structure, and composition of the as-prepared catalysts were characterized by means of X-ray diffraction, X-ray photoelectron spectroscopy and transmission electron microscopy. In the electrochemical measurement, the as-prepared Pd7/Ru1 bimetallic nanodendrites provide a large electrochemically active surface area and exhibit high peak current density in the forward scan toward ethanol electrooxidation, which is nearly four times higher than those of a pure Pd catalyst. The as-prepared Pd7/Ru1 catalysts also exhibit significantly enhanced cycling stability toward ethanol oxidation in alkaline medium, which are mainly ascribed to the synergetic effect between Pd and Ru. This indicates that the Pd7/Ru1 catalysts should have great potential applications in direct ethanol fuel cells. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr02713f

Water without windows: Evaluating the performance of open cell transmission electron microscopy under saturated water vapor conditions, and assessing its potential for microscopy of hydrated biological specimens

PubMed Central

Yamashita, Masao; Cheung, Martin; Kalale, Chola; Adaniya, Hidehito; Kuwahara, Ryusuke; Shintake, Tsumoru

2017-01-01

We have performed open cell transmission electron microscopy experiments through pure water vapor in the saturation pressure regime (>0.6 kPa), in a modern microscope capable of sub-Å resolution. We have systematically studied achievable pressure levels, stability and gas purity, effective thickness of the water vapor column and associated electron scattering processes, and the effect of gas pressure on electron optical resolution and image contrast. For example, for 1.3 kPa pure water vapor and 300kV electrons, we report pressure stability of ± 20 Pa over tens of minutes, effective thickness of 0.57 inelastic mean free paths, lattice resolution of 0.14 nm on a reference Au specimen, and no significant degradation in contrast or stability of a biological specimen (M13 virus, with 6 nm body diameter). We have also done some brief experiments to confirm feasibility of loading specimens into an in situ water vapor ambient without exposure to intermediate desiccating conditions. Finally, we have also checked if water experiments had any discernible impact on the microscope performance, and report pertinent vacuum and electron optical data, for reference purposes. PMID:29099843

Efficiency of bimetallic PtPd on polydopamine modified on various carbon supports for alcohol oxidations

NASA Astrophysics Data System (ADS)

Pinithchaisakula, A.; Ounnunkad, K.; Themsirimongkon, S.; Promsawan, N.; Waenkaew, P.; Saipanya, S.

2017-02-01

In this work, the preparation, characterization, and electrocatalytic analysis of the catalysts on various carbon substrates for direct alcohol fuel cells were studied. Selected carbons were modified with/without polydopamine (labelled as PDA-C and C) and further metal electrodeposited incorporated onto the glassy carbon (labelled as 5Pt1Pd/PDA-C and 5Pt1Pd/C). Four various carbon materials were used e.g. graphite (G), carbon nanotube (CNT), graphene (GP) and graphene oxide (GO) and the carbons were modified with PDA denoted as PDA-G, PDA-CNT, PDA-GP and PDA-GO, respectively. The transmission electron microscopy (TEM) and scanning electron microscopy (SEM) experimental observation showed narrow size distribution of metal anchored on the PDA-C and C materials. Chemical compositions and oxidation states of the catalysts were determined by X-ray photoelectron spectroscopy (XPS) and energy-dispersive X-ray spectroscopy (EDX). The catalytic performances for small organic electro-oxidation (e.g. methanol and ethanol) were measured by cyclic voltammetry (CV). Among different PDA-C and C catalysts, monometallic Pt showed less activity than the bimetallic catalysts. Among catalysts with PDA, the 5Pt1Pd/PDA-GO catalyst facilitated methanol and ethanol oxidations with high oxidation currents and If/Ib value and stability with low potentials while among catalysts without PDA, the 5Pt1Pd/CNT provides highest activity and stability. It was found that the catalysts with PDA provided high activity and stability than the catalysts without PDA. The improved catalytic performance of the prepared catalysts could be related to the higher active surface area from polymer modification and bimetallic catalyst system in the catalyst composites.

X-ray free-electron laser oscillator with nuclear-resonant cavity stabilization and quantum-optical applications

DOE PAGES

Adams, Bernhard W.; Kim, Kwang -Je

2016-08-09

Here, x-ray free-electron-laser oscillators with nuclear-resonant cavity stabilization (NRS-XFELO) hold the promise for providing x-rays with unprecedented coherence properties that will enable interesting quantum-optical and metrological applications. Among these are atom optics with x-ray-based optical elements providing high momentum transfer, or a frequency standard far surpassing the best state-of the-art atomic clocks.

Electrocatalyzed O2 response of myoglobin immobilized on multi-walled carbon nanotube forest electrodes.

PubMed

Pacios, M; del Valle, M; Bartroli, J; Esplandiu, M J

2009-10-01

Direct electrochemistry and activity of myoglobin (Mb) immobilized on carbon nanotube (CNT) forest electrodes were investigated by probing mainly its electrocatalytical response towards oxygen. The protein was anchored on the CNT electrodes through carbodiimide coupling, which was shown to provide long term stability. The electrochemical response was monitored as a function of oxygen concentration and pH. Conformational changes together with the consequent loss of oxygen affinity were recorded at low pH, which delimits the operative range of the Mb/CNT electrodes for sensing purposes. In general, it can be concluded that CNT forests constitute suitable platforms for Mb attachment without compromising the protein bioactivity and by keeping at the same time the direct electron exchange with the heme core. All these characteristics confer to the protein modified CNT system promising properties for the implementation of (bio)sensor devices with impact in the clinical and environmental field.

Nonadiabatic Ab Initio Molecular Dynamics with the Floating Occupation Molecular Orbital-Complete Active Space Configuration Interaction Method [Non-Adiabatic Ab Initio Molecular Dynamics with Floating Occupation Molecular Orbitals CASCI Method

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

Hollas, Daniel; Sistik, Lukas; Hohenstein, Edward G.

Here, we show that the floating occupation molecular orbital complete active space configuration interaction (FOMO-CASCI) method is a promising alternative to the widely used complete active space self-consistent field (CASSCF) method in direct nonadiabatic dynamics simulations. We have simulated photodynamics of three archetypal molecules in photodynamics: ethylene, methaniminium cation, and malonaldehyde. We compared the time evolution of electronic populations and reaction mechanisms as revealed by the FOMO-CASCI and CASSCF approaches. Generally, the two approaches provide similar results. Some dynamical differences are observed, but these can be traced back to energetically minor differences in the potential energy surfaces. We suggest thatmore » the FOMO-CASCI method represents, due to its efficiency and stability, a promising approach for direct ab initio dynamics in the excited state.« less

Direct imaging of atomic-scale ripples in few-layer graphene.

PubMed

Wang, Wei L; Bhandari, Sagar; Yi, Wei; Bell, David C; Westervelt, Robert; Kaxiras, Efthimios

2012-05-09

Graphene has been touted as the prototypical two-dimensional solid of extraordinary stability and strength. However, its very existence relies on out-of-plane ripples as predicted by theory and confirmed by experiments. Evidence of the intrinsic ripples has been reported in the form of broadened diffraction spots in reciprocal space, in which all spatial information is lost. Here we show direct real-space images of the ripples in a few-layer graphene (FLG) membrane resolved at the atomic scale using monochromated aberration-corrected transmission electron microscopy (TEM). The thickness of FLG amplifies the weak local effects of the ripples, resulting in spatially varying TEM contrast that is unique up to inversion symmetry. We compare the characteristic TEM contrast with simulated images based on accurate first-principles calculations of the scattering potential. Our results characterize the ripples in real space and suggest that such features are likely common in ultrathin materials, even in the nanometer-thickness range.

Mango core inner shell membrane template-directed synthesis of porous ZnO films and their application for enzymatic glucose biosensor

NASA Astrophysics Data System (ADS)

Zhou, Yu; Wang, Lei; Ye, Zhizhen; Zhao, Minggang; Cai, Hui; Huang, Jingyun

2013-11-01

Micro/nano-porous ZnO films were synthesized through a simple biotemplate-directed method using mango core inner shell membranes as templates. The achieved ZnO films with wrinkles on the surface are combined of large holes and small pores in the bulk. High specific surface area, numerous microspaces, and small channels for fluid circulation provided by this unique structure along with the good biocompatibility and electron communication features of ZnO material make the product an ideal platform for the immobilization of enzymes The fabricated glucose biosensor based on the porous ZnO films exhibits good selective detection ability of analyte with good stability, high sensitivity of 50.58 μA cm-2 mM-1 and a wide linear range of 0.2-5.6 mM along with a low detection limit of 10 μM.

Simulation studies of plasma waves in the electron foreshock - The generation of downshifted oscillations

NASA Technical Reports Server (NTRS)

Dum, C. T.

1990-01-01

The generation of waves with frequencies downshifted from the plasma frequency, as observed in the electron foreshock, is analyzed by particle simulation. Wave excitation differs fundamentally from the familiar excitation of the plasma eigenmodes by a gentle bump-on-tail electron distribution. Beam modes are destabilized by resonant interaction with bulk electrons, provided the beam velocity spread is very small. These modes are stabilized, starting with the higher frequencies, as the beam is broadened and slowed down by the interaction with the wave spectrum. Initially a very cold beam is also capable of exciting frequencies considerably above the plasma frequency, but such oscillations are quickly stabilized. Low-frequency modes persist for a long time, until the bump in the electron distribution is completely 'ironed' out. This diffusion process also is quite different from the familiar case of well-separated beam and bulk electrons. A quantitative analysis of these processes is carried out.

Dynamics and reactivity of trapped electrons on supported ice crystallites.

PubMed

Stähler, Julia; Gahl, Cornelius; Wolf, Martin

2012-01-17

The solvation dynamics and reactivity of localized excess electrons in aqueous environments have attracted great attention in many areas of physics, chemistry, and biology. This manifold attraction results from the importance of water as a solvent in nature as well as from the key role of low-energy electrons in many chemical reactions. One prominent example is the electron-induced dissociation of chlorofluorocarbons (CFCs). Low-energy electrons are also critical in the radiation chemistry that occurs in nuclear reactors. Excess electrons in an aqueous environment are localized and stabilized by the local rearrangement of the surrounding water dipoles. Such solvated or hydrated electrons are known to play an important role in systems such as biochemical reactions and atmospheric chemistry. Despite numerous studies over many years, little is known about the microscopic details of these electron-induced chemical processes, and interest in the fundamental processes involved in the reactivity of trapped electrons continues. In this Account, we present a surface science study of the dynamics and reactivity of such localized low-energy electrons at D(2)O crystallites that are supported by a Ru(001) single crystal metal surface. This approach enables us to investigate the generation and relaxation dynamics as well as dissociative electron attachment (DEA) reaction of excess electrons under well-defined conditions. They are generated by photoexcitation in the metal template and transferred to trapping sites at the vacuum interface of crystalline D(2)O islands. In these traps, the electrons are effectively decoupled from the electronic states of the metal template, leading to extraordinarily long excited state lifetimes on the order of minutes. Using these long-lived, low-energy electrons, we study the DEA to CFCl(3) that is coadsorbed at very low concentrations (∼10(12) cm(-2)). Using rate equations and direct measurement of the change of surface dipole moment, we estimated the electron surface density for DEA, yielding cross sections that are orders of magnitude higher than the electron density measured in the gas phase.

A direct electron detector for time-resolved MeV electron microscopy

DOE PAGES

Vecchione, T.; Denes, P.; Jobe, R. K.; ...

2017-03-15

The introduction of direct electron detectors enabled the structural biology revolution of cryogenic electron microscopy. Direct electron detectors are now expected to have a similarly dramatic impact on time-resolved MeV electron microscopy, particularly by enabling both spatial and temporal jitter correction. Here in this paper, we report on the commissioning of a direct electron detector for time-resolved MeV electron microscopy. The direct electron detector demonstrated MeV single electron sensitivity and is capable of recording megapixel images at 180 Hz. The detector has a 15-bit dynamic range, better than 30-μm spatial resolution and less than 20 analogue-to-digital converter count RMS pixelmore » noise. The unique capabilities of the direct electron detector and the data analysis required to take advantage of these capabilities are presented. The technical challenges associated with generating and processing large amounts of data are also discussed.« less

A direct electron detector for time-resolved MeV electron microscopy

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

Vecchione, T.; Denes, P.; Jobe, R. K.

The introduction of direct electron detectors enabled the structural biology revolution of cryogenic electron microscopy. Direct electron detectors are now expected to have a similarly dramatic impact on time-resolved MeV electron microscopy, particularly by enabling both spatial and temporal jitter correction. Here we report on the commissioning of a direct electron detector for time-resolved MeV electron microscopy. The direct electron detector demonstrated MeV single electron sensitivity and is capable of recording megapixel images at 180 Hz. The detector has a 15-bit dynamic range, better than 30-μmμm spatial resolution and less than 20 analogue-to-digital converter count RMS pixel noise. The uniquemore » capabilities of the direct electron detector and the data analysis required to take advantage of these capabilities are presented. The technical challenges associated with generating and processing large amounts of data are also discussed.« less