Tunneling rates in electron transport through double-barrier molecular junctions in a scanning tunneling microscope.

PubMed

Nazin, G V; Wu, S W; Ho, W

2005-06-21

The scanning tunneling microscope enables atomic-scale measurements of electron transport through individual molecules. Copper phthalocyanine and magnesium porphine molecules adsorbed on a thin oxide film grown on the NiAl(110) surface were probed. The single-molecule junctions contained two tunneling barriers, vacuum gap, and oxide film. Differential conductance spectroscopy shows that electron transport occurs via vibronic states of the molecules. The intensity of spectral peaks corresponding to the individual vibronic states depends on the relative electron tunneling rates through the two barriers of the junction, as found by varying the vacuum gap tunneling rate by changing the height of the scanning tunneling microscope tip above the molecule. A simple, sequential tunneling model explains the observed trends.

Photoemission into water adsorbed on metals: Probing dissociative electron transfer using theory

NASA Astrophysics Data System (ADS)

Zhang, Yu; Whitten, J. L.

The photoinduced dissociation of water adsorbed on a silver nanoparticle is explored using theory to probe reaction pathways that produce hydrogen. Ab initio configuration theory is used to describe the systems. A formulation that allows excited electronic states embedded in a near continuum of lower energy states to be calculated accurately is described. Electron attachment of a photoemitted electron to adsorbed water can lead to the formation of H2 at a very low energy barrier with oxygen remaining on the Ag surface. A large energy barrier to form H2 plus adsorbed O is found for the ground state. The excited state has a much smaller barrier to OH stretch; however, to dissociate, the system must cross over from the excited state to the ground state potential energy surface. The cross over point is near the transition state for a ground state process. A characteristic feature of the excited state potential curve is an increase in energy in the early stages of OH stretch as the charge transfer state evolves from a state with considerable Rydberg character to one that has a typical OH antibonding molecular orbital. Another pathway releases a H atom leaving OH on the surface. Effects due to doping of a Ag nanoparticle with a K electron donor atom are compared with those caused by a Fermi level shift due to an applied potential. Results are also reported for electron transfer to a solvated lithium ion, Li(H2O) 6+, near the surface of a silver particle. A steering mechanism is found that involves the interaction of a hydridic hydrogen formed after electron transfer with an acidic hydrogen of a second solvated water molecule.

Electrochemical cell structure including an ionomeric barrier

DOEpatents

Lambert, Timothy N.; Hibbs, Michael

2017-06-20

An apparatus includes an electrochemical half-cell comprising: an electrolyte, an anode; and an ionomeric barrier positioned between the electrolyte and the anode. The anode may comprise a multi-electron vanadium phosphorous alloy, such as VP.sub.x, wherein x is 1-5. The electrochemical half-cell is configured to oxidize the vanadium and phosphorous alloy to release electrons. A method of mitigating corrosion in an electrochemical cell includes disposing an ionomeric barrier in a path of electrolyte or ion flow to an anode and mitigating anion accumulation on the surface of the anode.

InP and GaAs characterization with variable stoichiometry obtained by molecular spray

NASA Technical Reports Server (NTRS)

Massies, J.; Linh, N. T.; Olivier, J.; Faulconnier, P.; Poirier, R.

1979-01-01

Both InP and GaAs surfaces were studied in parallel. A molecular spray technique was used to obtain two semiconductor surfaces with different superficial compositions. The structures of these surfaces were examined by electron diffraction. Electron energy loss was measured spectroscopically in order to determine surface electrical characteristics. The results are used to support conclusions relative to the role of surface composition in establishing a Schottky barrier effect in semiconductor devices.

Silicide Schottky Barrier For Back-Surface-Illuminated CCD

NASA Technical Reports Server (NTRS)

Hecht, Michael H.

1990-01-01

Quantum efficiency of back-surface-illuminated charge-coupled device (CCD) increased by coating back surface with thin layer of PtSi or IrSi on thin layer of SiO2. In its interaction with positively-doped bulk Si of CCD, silicide/oxide layer forms Schottky barrier that repels electrons, promoting accumulation of photogenerated charge carriers in front-side CCD potential wells. Physical principle responsible for improvement explained in "Metal Film Increases CCD Output" (NPO-16815).

Controlling the electronic and geometric structures of 2D insertions to realize high performance metal/insertion-MoS2 sandwich interfaces.

PubMed

Su, Jie; Feng, Liping; Zeng, Wei; Liu, Zhengtang

2017-06-08

Metal/insertion-MoS 2 sandwich interfaces are designed to reduce the Schottky barriers at metal-MoS 2 interfaces. The effects of geometric and electronic structures of two-dimensional (2D) insertion materials on the contact properties of metal/insertion-MoS 2 interfaces are comparatively studied by first-principles calculations. Regardless of the geometric and electronic structures of 2D insertion materials, Fermi level pinning effects and charge scattering at the metal/insertion-MoS 2 interface are weakened due to weak interactions between the insertion and MoS 2 layers, no gap states and negligible structural deformations for MoS 2 layers. The Schottky barriers at metal/insertion-MoS 2 interfaces are induced by three interface dipoles and four potential steps that are determined by the charge transfers and structural deformations of 2D insertion materials. The lower the electron affinities of 2D insertion materials, the more are the electrons lost from the Sc surface, resulting in lower n-type Schottky barriers at Sc/insertion-MoS 2 interfaces. The larger the ionization potentials and the thinner the thicknesses of 2D insertion materials, the fewer are the electrons that accumulate at the Pt surface, leading to lower p-type Schottky barriers at Pt/insertion-MoS 2 interfaces. All Sc/insertion-MoS 2 interfaces exhibited ohmic characters. The Pt/BN-MoS 2 interface exhibits the lowest p-type Schottky barrier of 0.52 eV due to the largest ionization potential (∼6.88 eV) and the thinnest thickness (single atomic layer thickness) of BN. These results in this work are beneficial to understand and design high performance metal/insertion-MoS 2 interfaces through 2D insertion materials.

A theoretical study of structural and electronic properties of pentacene/Al(100) interface.

PubMed

Saranya, G; Nair, Shiny; Natarajan, V; Kolandaivel, P; Senthilkumar, K

2012-09-01

The first principle calculations within the framework of density functional theory have been performed for the pentacene molecule deposited on the aluminum Al(100) substrate to study the structural and electronic properties of the pentacene/Al(100) interface. The most stable configuration was found at bridge site with 45° rotation of the pentacene molecule on Al(100) surface with a vertical distance of 3.4 Å within LDA and 3.8 Å within GGA functionals. The calculated adsorption energy reveals that the adsorption of pentacene molecule on Al(100) surface is physisorption. For the stable adsorption geometry the electronic properties such as density of states (DOS), partial density of states (PDOS), Mulliken population analysis and Schottky barrier height are studied. The analysis of atomic charge, DOS and PDOS show that the charge is transferred from the Al(100) surface to pentacene molecule, and the transferred charge is about -0.05 electrons. For the adsorbed system, the calculated Schottky barrier height for hole and electron transport is 0.27 and 1.55 eV, respectively. Copyright © 2012 Elsevier Inc. All rights reserved.

Theory of vibrationally assisted tunneling for hydroxyl monomer flipping on Cu(110)

NASA Astrophysics Data System (ADS)

Gustafsson, Alexander; Ueba, Hiromu; Paulsson, Magnus

2014-10-01

To describe vibrationally mediated configuration changes of adsorbates on surfaces we have developed a theory to calculate both reaction rates and pathways. The method uses the T-matrix to describe excitations of vibrational states by the electrons of the substrate, adsorbate, and tunneling electrons from a scanning tunneling probe. In addition to reaction rates, the theory also provides the reaction pathways by going beyond the harmonic approximation and using the full potential energy surface of the adsorbate which contains local minima corresponding to the adsorbates different configurations. To describe the theory, we reproduce the experimental results in [T. Kumagai et al., Phys. Rev. B 79, 035423 (2009), 10.1103/PhysRevB.79.035423], where the hydrogen/deuterium atom of an adsorbed hydroxyl (OH/OD) exhibits back and forth flipping between two equivalent configurations on a Cu(110) surface at T =6 K. We estimate the potential energy surface and the reaction barrier, ˜160 meV, from DFT calculations. The calculated flipping processes arise from (i) at low bias, tunneling of the hydrogen through the barrier, (ii) intermediate bias, tunneling electrons excite the vibrations increasing the reaction rate although over the barrier processes are rare, and (iii) higher bias, overtone excitations increase the reaction rate further.

Viability of Using Diamond Field Emitter Array Cathodes in Free Electron Lasers

DTIC Science & Technology

2010-06-01

essential component of a field emitter array is the shape of the electric field lines and equipotential lines at the surface of the array. The...BARRIER AND QUANTUM TUNNELING ...........25 B. FIELD ENHANCEMENT AND SURFACE PROTRUSIONS .........26 C. ELECTRIC FIELDS AND ELECTRON TRAVEL...26 Figure 4. Diagram of a protrusion (triangular in shape) from the surface of a cathode. The protrusion is of height h, with a

Molecular gap and energy level diagram for pentacene adsorbed on filled d-band metal surfaces

NASA Astrophysics Data System (ADS)

Baldacchini, Chiara; Mariani, Carlo; Betti, Maria Grazia; Gavioli, L.; Fanetti, M.; Sancrotti, M.

2006-10-01

The authors present a combined photoemission and scanning-tunneling spectroscopy study of the filled electronic states, the molecular energy gap, and the energy level diagram of highly ordered arrays of pentacene deposited on the Cu(119) vicinal surface. The states localized at the interface are clearly singled out, comparing the results at different pentacene thicknesses and with gas-phase photoemission data. The molecular gap of 2.35eV, the hole injection barrier of 1.05eV, and the electron injection barrier of 1.30eV determine the energy level diagram of the states localized at the pentacene molecules.

Barrier-free subsurface incorporation of 3 d metal atoms into Bi(111) films

DOE PAGES

Klein, C.; Vollmers, N. J.; Gerstmann, U.; ...

2015-05-27

By combining scanning tunneling microscopy with density functional theory it is shown that the Bi(111) surface provides a well-defined incorporation site in the first bilayer that traps highly coordinating atoms such as transition metals (TMs) or noble metals. All deposited atoms assume exactly the same specific sevenfold coordinated subsurface interstitial site while the surface topography remains nearly unchanged. Notably, 3 d TMs show a barrier-free incorporation. The observed surface modification by barrier-free subsorption helps to suppress aggregation in clusters. Thus, it allows a tuning of the electronic properties not only for the pure Bi(111) surface, but may also be observedmore » for topological insulators formed by substrate-stabilized Bi bilayers.« less

Radiation-tolerant imaging device

DOEpatents

Colella, N.J.; Kimbrough, J.R.

1996-11-19

A barrier at a uniform depth for an entire wafer is used to produce imaging devices less susceptible to noise pulses produced by the passage of ionizing radiation. The barrier prevents charge created in the bulk silicon of a CCD detector or a semiconductor logic or memory device from entering the collection volume of each pixel in the imaging device. The charge barrier is a physical barrier, a potential barrier, or a combination of both. The physical barrier is formed by an SiO{sub 2} insulator. The potential barrier is formed by increasing the concentration of majority carriers (holes) to combine with the electron`s generated by the ionizing radiation. A manufacturer of CCD imaging devices can produce radiation-tolerant devices by merely changing the wafer type fed into his process stream from a standard wafer to one possessing a barrier beneath its surface, thus introducing a very small added cost to his production cost. An effective barrier type is an SiO{sub 2} layer. 7 figs.

A double-layer based model of ion confinement in electron cyclotron resonance ion source.

PubMed

Mascali, D; Neri, L; Celona, L; Castro, G; Torrisi, G; Gammino, S; Sorbello, G; Ciavola, G

2014-02-01

The paper proposes a new model of ion confinement in ECRIS, which can be easily generalized to any magnetic configuration characterized by closed magnetic surfaces. Traditionally, ion confinement in B-min configurations is ascribed to a negative potential dip due to superhot electrons, adiabatically confined by the magneto-static field. However, kinetic simulations including RF heating affected by cavity modes structures indicate that high energy electrons populate just a thin slab overlapping the ECR layer, while their density drops down of more than one order of magnitude outside. Ions, instead, diffuse across the electron layer due to their high collisionality. This is the proper physical condition to establish a double-layer (DL) configuration which self-consistently originates a potential barrier; this "barrier" confines the ions inside the plasma core surrounded by the ECR surface. The paper will describe a simplified ion confinement model based on plasma density non-homogeneity and DL formation.

The Influence of High-Energy Electrons Irradiation on Surface of n-GaP and on Au/n-GaP/Al Schottky Barrier Diode

NASA Astrophysics Data System (ADS)

Demir, K. Çinar; Kurudirek, S. V.; Oz, S.; Biber, M.; Aydoğan, Ş.; Şahin, Y.; Coşkun, C.

We fabricated 25 Au/n-GaP/Al Schottky devices and investigated the influence of high electron irradiation, which has 12MeV on the devices, at room temperature. The X-ray diffraction patterns, scanning electron microscopic images and Raman spectra of a gallium phosphide (GaP) semiconductor before and after electron irradiation have been analyzed. Furthermore, some electrical measurements of the devices were carried out through the current-voltage (I-V) and capacitance-voltage (C-V) measurements. From the I-V characteristics, experimental ideality factor n and barrier height Φ values of these Schottky diodes have been determined before and after irradiation, respectively. The results have also been analyzed statically, and a gauss distribution has been obtained. The built-in potential Vbi, barrier height Φ, Fermi level EF and donor concentration Nd values have been determined from the reverse bias C-V and C-2-V curves of Au/n-GaP/Al Schottky barrier diodes at 100kHz before and after 12MeV electron irradiation. Furthermore, we obtained the series resistance values of Au/n-GaP/Al Schottky barrier diodes with the help of different methods. Experimental results confirmed that the electrical characterization of the device changed with the electron irradiation.

Collaborative research in tunneling and field emission pumped surface wave local oscillators and amplifiers for infrared and submillimeter wavelengths under director's discretionary fund

NASA Technical Reports Server (NTRS)

Gustafson, T. K.

1982-01-01

Progress is reported in work towards the development of surface wave sources for the infrared and sub-millimeter portion of the spectrum to be based upon electron pumping by tunneling electrons in metal-barrier-metal or metal-barrier-semiconductor devices. Tunneling phenomena and the coupling of radiation to tunnel junctions were studied. The propagation characteristics of surface electro-magnetic modes in metal-insulator-p(++) semiconductor structures as a function of frequency were calculated. A model for the gain process based upon Tucker's formalism was developed and used to estimate what low frequency gain might be expected from such structures. The question of gain was addressed from a more fundamental viewpoint using the method of Lasher and Stern.

Self-Limiting Oxides on WSe2 as Controlled Surface Acceptors and Low-Resistance Hole Contacts.

PubMed

Yamamoto, Mahito; Nakaharai, Shu; Ueno, Keiji; Tsukagoshi, Kazuhito

2016-04-13

Transition metal oxides show much promise as effective p-type contacts and dopants in electronics based on transition metal dichalcogenides. Here we report that atomically thin films of under-stoichiometric tungsten oxides (WOx with x < 3) grown on tungsten diselenide (WSe2) can be used as both controlled charge transfer dopants and low-barrier contacts for p-type WSe2 transistors. Exposure of atomically thin WSe2 transistors to ozone (O3) at 100 °C results in self-limiting oxidation of the WSe2 surfaces to conducting WOx films. WOx-covered WSe2 is highly hole-doped due to surface electron transfer from the underlying WSe2 to the high electron affinity WOx. The dopant concentration can be reduced by suppressing the electron affinity of WOx by air exposure, but exposure to O3 at room temperature leads to the recovery of the electron affinity. Hence, surface transfer doping with WOx is virtually controllable. Transistors based on WSe2 covered with WOx show only p-type conductions with orders of magnitude better on-current, on/off current ratio, and carrier mobility than without WOx, suggesting that the surface WOx serves as a p-type contact with a low hole Schottky barrier. Our findings point to a simple and effective strategy for creating p-type devices based on two-dimensional transition metal dichalcogenides with controlled dopant concentrations.

Engineering the Mechanical Properties of Ultrabarrier Films Grown by Atomic Layer Deposition for the Encapsulation of Printed Electronics

DOE PAGES

Bulusu, Anuradha; Singh, Ankit K.; Wang, Cheng-Yin; ...

2015-08-28

Direct deposition of barrier films by atomic layer deposition (ALD) onto printed electronics presents a promising method for packaging devices. Films made by ALD have been shown to possess desired ultrabarrier properties, but face challenges when directly grown onto surfaces with varying composition and topography. Challenges include differing nucleation and growth rates across the surface, stress concentrations from topography and coefficient of thermal expansion (CTE) mismatch, elastic mismatch, and particle contamination that may impact the performance of the ALD barrier. In such cases, a polymer smoothing layer may be needed to coat the surface prior to ALD barrier film deposition.more » We present the impact of architecture on the performance of aluminum oxide (Al2O3)/hafnium oxide (HfO2) ALD nanolaminate barrier films deposited on fluorinated polymer layer using an optical calcium (Ca) test under damp heat. It is found that with increasing polymer thickness, the barrier films with residual tensile stress are prone to cracking resulting in rapid failure of the Ca sensor at 50{degree sign}C/85% RH. Inserting a SiNx layer with residual compressive stress between the polymer and ALD layers is found to prevent cracking over a range of polymer thicknesses with more than 95% of the Ca sensor remaining after 500 h of testing. These results suggest that controlling mechanical properties and film architecture play an important role in the performance of direct deposited ALD barriers.« less

Photoinduced currents in metal-barrier-metal junctions

NASA Technical Reports Server (NTRS)

Guedes, M. P.; Gustafson, T. K.; Heiblum, M.; Siu, D. P.; Slayman, C. W.; Whinnery, J. R.; Yasuoka, Y.

1978-01-01

The fabrication and application of metal-barrier-metal tunneling junctions for radiative interactions are discussed. Particular attention is given to the photolithographic fabrication of small area devices and the coupling to such devices via surface plasmon waves which play an important role at infrared and optical frequencies. It has been shown that the junction electron tunneling currents can be strongly coupled to surface plasmon junction modes, and spontaneous and stimulated emission of the latter are possible as well as nonlinear interactions. Finally, results demonstrating the photo-excitation of electrons with subsequent tunneling induced by ultraviolet radiation are presented. It is estimated that quantum efficiencies of the order of 5% and higher are possible in the ultraviolet region.

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

NASA Astrophysics Data System (ADS)

Movilla, J. L.; Planelles, J.

2007-05-01

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

Electrostatically Gated Graphene-Zinc Oxide Nanowire Heterojunction.

PubMed

You, Xueqiu; Pak, James Jungho

2015-03-01

This paper presents an electrostatically gated graphene-ZnO nanowire (NW) heterojunction for the purpose of device applications for the first time. A sub-nanometer-thick energy barrier width was formed between a monatomic graphene layer and electrochemically grown ZnO NWs. Because of the narrow energy barrier, electrons can tunnel through the barrier when a voltage is applied across the junction. A near-ohmic current-voltage (I-V) curve was obtained from the graphene-electrochemically grown ZnO NW heterojunction. This near-ohmic contact changed to asymmetric I-V Schottky contact when the samples were exposed to an oxygen environment. It is believed that the adsorbed oxygen atoms or molecules on the ZnO NW surface capture free electrons of the ZnO NWs, thereby creating a depletion region in the ZnO NWs. Consequentially, the electron concentration in the ZnO NWs is dramatically reduced, and the energy barrier width of the graphene-ZnO NW heterojunction increases greatly. This increased energy barrier width reduces the electron tunneling probability, resulting in a typical Schottky contact. By adjusting the back-gate voltage to control the graphene-ZnO NW Schottky energy barrier height, a large modulation on the junction current (on/off ratio of 10(3)) was achieved.

Collective Phenomena In Volume And Surface Barrier Discharges

NASA Astrophysics Data System (ADS)

Kogelschatz, U.

2010-07-01

Barrier discharges are increasingly used as a cost-effective means to produce non-equilibrium plasmas at atmospheric pressure. This way, copious amounts of electrons, ions, free radicals and excited species can be generated without appreciable gas heating. In most applications the barrier is made of dielectric material. In laboratory experiments also the use of resistive, ferroelectric and semiconducting materials has been investigated, also porous ceramic layers and dielectric barriers with controlled surface conductivity. Major applications utilizing mainly dielectric barriers include ozone generation, surface cleaning and modification, polymer and textile treatment, sterilization, pollution control, CO2 lasers, excimer lamps, plasma display panels (flat TV screens). More recent research efforts are also devoted to biomedical applications and to plasma actuators for flow control. Sinu- soidal feeding voltages at various frequencies as well as pulsed excitation schemes are used. Volume as well as surface barrier discharges can exist in the form of filamentary, regularly patterned or laterally homogeneous discharges. Reviews of the subject and the older literature on barrier discharges were published by Kogelschatz (2002, 2003), by Wagner et al. (2003) and by Fridman et al. (2005). A detailed discussion of various properties of barrier discharges can also be found in the recent book "Non-Equilibrium Air Plasmas at Atmospheric Pressure" by Becker et al. (2005). The physical effects leading to collective phenomena in volume and surface barrier discharges will be discussed in detail. Special attention will be given to self-organization of current filaments. Main similarities and differences of the two types of barrier discharges will be elaborated.

Measurement of the minority carrier diffusion length and edge surface-recombination velocity in InP

NASA Technical Reports Server (NTRS)

Bailey, Sheila G.; Hakimzadeh, Roshanak

1993-01-01

A scanning electron microscope (SEM) was used to measure the electron (minority carrier) diffusion length (L(sub n)) and the edge surface-recombination velocity (V(sub s)) in zinc-doped Czochralski-grown InP wafers. Electron-beam-induced current (EBIC) profiles were obtained in specimens containing a Schottky barrier perpendicular to the scanned (edge) surface. An independent technique was used to measure V(sub s), and these values were used in a theoretical expression for normalized EBIC. A fit of the experimental data with this expression enabled us to determine L(sub n).

Distributions of methyl group rotational barriers in polycrystalline organic solids

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

Beckmann, Peter A., E-mail: pbeckman@brynmawr.edu, E-mail: wangxianlong@uestc.edu.cn; Conn, Kathleen G.; Division of Education and Human Services, Neumann University, One Neumann Drive, Aston, Pennsylvania 19014-1298

We bring together solid state {sup 1}H spin-lattice relaxation rate measurements, scanning electron microscopy, single crystal X-ray diffraction, and electronic structure calculations for two methyl substituted organic compounds to investigate methyl group (CH{sub 3}) rotational dynamics in the solid state. Methyl group rotational barrier heights are computed using electronic structure calculations, both in isolated molecules and in molecular clusters mimicking a perfect single crystal environment. The calculations are performed on suitable clusters built from the X-ray diffraction studies. These calculations allow for an estimate of the intramolecular and the intermolecular contributions to the barrier heights. The {sup 1}H relaxation measurements,more » on the other hand, are performed with polycrystalline samples which have been investigated with scanning electron microscopy. The {sup 1}H relaxation measurements are best fitted with a distribution of activation energies for methyl group rotation and we propose, based on the scanning electron microscopy images, that this distribution arises from molecules near crystallite surfaces or near other crystal imperfections (vacancies, dislocations, etc.). An activation energy characterizing this distribution is compared with a barrier height determined from the electronic structure calculations and a consistent model for methyl group rotation is developed. The compounds are 1,6-dimethylphenanthrene and 1,8-dimethylphenanthrene and the methyl group barriers being discussed and compared are in the 2–12 kJ mol{sup −1} range.« less

Transport mechanism of reverse surface leakage current in AlGaN/GaN high-electron mobility transistor with SiN passivation

NASA Astrophysics Data System (ADS)

Zheng, Xue-Feng; Fan, Shuang; Chen, Yong-He; Kang, Di; Zhang, Jian-Kun; Wang, Chong; Mo, Jiang-Hui; Li, Liang; Ma, Xiao-Hua; Zhang, Jin-Cheng; Hao, Yue

2015-02-01

The transport mechanism of reverse surface leakage current in the AlGaN/GaN high-electron mobility transistor (HEMT) becomes one of the most important reliability issues with the downscaling of feature size. In this paper, the research results show that the reverse surface leakage current in AlGaN/GaN HEMT with SiN passivation increases with the enhancement of temperature in the range from 298 K to 423 K. Three possible transport mechanisms are proposed and examined to explain the generation of reverse surface leakage current. By comparing the experimental data with the numerical transport models, it is found that neither Fowler-Nordheim tunneling nor Frenkel-Poole emission can describe the transport of reverse surface leakage current. However, good agreement is found between the experimental data and the two-dimensional variable range hopping (2D-VRH) model. Therefore, it is concluded that the reverse surface leakage current is dominated by the electron hopping through the surface states at the barrier layer. Moreover, the activation energy of surface leakage current is extracted, which is around 0.083 eV. Finally, the SiN passivated HEMT with a high Al composition and a thin AlGaN barrier layer is also studied. It is observed that 2D-VRH still dominates the reverse surface leakage current and the activation energy is around 0.10 eV, which demonstrates that the alteration of the AlGaN barrier layer does not affect the transport mechanism of reverse surface leakage current in this paper. Project supported by the National Natural Science Foundation of China (Grant Nos. 61334002, 61106106, and 61474091), the Opening Project of Science and Technology on Reliability Physics and Application Technology of Electronic Component Laboratory, China (Grant No. ZHD201206), the New Experiment Development Funds for Xidian University, China (Grant No. SY1213), the 111 Project, China (Grant No. B12026), the Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry, China, and the Fundamental Research Funds for the Central Universities, China (Grant No. K5051325002).

Electron density in surface barrier discharge emerging at argon/water interface: quantification for streamers and leaders

NASA Astrophysics Data System (ADS)

Cvetanović, Nikola; Galmiz, Oleksandr; Synek, Petr; Zemánek, Miroslav; Brablec, Antonín; Hoder, Tomáš

2018-02-01

Optical emission spectroscopy, fast intensified CCD imaging and electrical measurements were applied to investigate the basic plasma parameters of surface barrier discharge emerging from a conductive water electrode. The discharge was generated at the triple-line interface of atmospheric pressure argon gas and conductive water solution at the fused silica dielectrics using a sinusoidal high-voltage waveform. The spectroscopic methods of atomic line broadening and molecular spectroscopy were used to determine the electron densities and the gas temperature in the active plasma. These parameters were obtained for both applied voltage polarities and resolved spatially. Two different spectral signatures were identified in the spatially resolved spectra resulting in electron densities differing by two orders of magnitude. It is shown that two discharge mechanisms take a place: the streamer and the leader one, with electron densities of 1014 and 1016 cm-3, respectively. This spectroscopic evidence is supported by the combined diagnostics of electrical current measurements and phase-resolved intensified CCD camera imaging.

Electron transport characteristics of silicon nanowires by metal-assisted chemical etching

NASA Astrophysics Data System (ADS)

Qi, Yangyang; Wang, Zhen; Zhang, Mingliang; Wang, Xiaodong; Ji, An; Yang, Fuhua

2014-03-01

The electron transport characteristics of silicon nanowires (SiNWs) fabricated by metal-assisted chemical etching with different doping concentrations were studied. By increasing the doping concentration of the starting Si wafer, the resulting SiNWs were prone to have a rough surface, which had important effects on the contact and the electron transport. A metal-semiconductor-metal model and a thermionic field emission theory were used to analyse the current-voltage (I-V) characteristics. Asymmetric, rectifying and symmetric I-V curves were obtained. The diversity of the I-V curves originated from the different barrier heights at the two sides of the SiNWs. For heavily doped SiNWs, the critical voltage was one order of magnitude larger than that of the lightly doped, and the resistance obtained by differentiating the I-V curves at large bias was also higher. These were attributed to the lower electron tunnelling possibility and higher contact barrier, due to the rough surface and the reduced doping concentration during the etching process.

Studies of the Electrohydrodynamic Force Produced in a Dielectric Barrier Discharge for Flow Control. Report no. 2, Phase 3

DTIC Science & Technology

2010-02-01

applied between the electrodes at a repetition rate of a few kHz (for spanwise as well as streamwise configurations of the DBD actuators with respect to...the electronic version) 1. Introduction Surface dielectric barrier discharges ( DBDs ) at atmospheric pressure can generate a flow or modify the...to the momentum transfer from charged particles to neutral molecules in a gas discharge. In recent papers [7–9], we presented studies of surface DBDs

In-situ formation of multiphase electron beam physical vapor deposited barrier coatings for turbine components

DOEpatents

Subramanian, Ramesh

2001-01-01

A turbine component (10), such as a turbine blade, is provided which is made of a metal alloy (22) and a base columnar thermal barrier coating (20) on the alloy surface, where a heat resistant ceramic oxide sheath material (32' or 34') covers the columns (28), and the sheath material is the reaction product of a precursor ceramic oxide sheath material and the base thermal barrier coating material.

Conductance enhancement of InAs/InP heterostructure nanowires by surface functionalization with oligo(phenylene vinylene)s.

PubMed

Schukfeh, Muhammed Ihab; Storm, Kristian; Mahmoud, Ahmed; Søndergaard, Roar R; Szwajca, Anna; Hansen, Allan; Hinze, Peter; Weimann, Thomas; Svensson, Sofia Fahlvik; Bora, Achyut; Dick, Kimberly A; Thelander, Claes; Krebs, Frederik C; Lugli, Paolo; Samuelson, Lars; Tornow, Marc

2013-05-28

We have investigated the electronic transport through 3 μm long, 45 nm diameter InAs nanowires comprising a 5 nm long InP segment as electronic barrier. After assembly of 12 nm long oligo(phenylene vinylene) derivative molecules onto these InAs/InP nanowires, we observed a pronounced, nonlinear I-V characteristic with significantly increased currents of up to 1 μA at 1 V bias, for a back-gate voltage of 3 V. As supported by our model calculations based on a nonequilibrium Green Function approach, we attribute this effect to charge transport through those surface-bound molecules, which electrically bridge both InAs regions across the embedded InP barrier.

Adsorption and diffusion of Ga and N adatoms on GaN surfaces: Comparing the effects of Ga coverage and electronic excitation

NASA Astrophysics Data System (ADS)

Takeuchi, Noboru; Selloni, Annabella; Myers, T. H.; Doolittle, A.

2005-09-01

We present density-functional-theory calculations of the binding and diffusion of Ga and N adatoms on GaN (0001) and (000-1) surfaces under different conditions, including stoichiometric and Ga-rich surfaces, as well as in the presence of electron-hole (e-h) pairs induced by light- or electron-beam irradiation. We find that both Ga-rich conditions and electronic excitations cause a significant reduction of the adatom diffusion barriers, as required to improve the quality of the material. However, the two effects are nonadditive, as the influence of e-h pairs are found to be less important for the more metallic situations.

Electronic components embedded in a single graphene nanoribbon.

PubMed

Jacobse, P H; Kimouche, A; Gebraad, T; Ervasti, M M; Thijssen, J M; Liljeroth, P; Swart, I

2017-07-25

The use of graphene in electronic devices requires a band gap, which can be achieved by creating nanostructures such as graphene nanoribbons. A wide variety of atomically precise graphene nanoribbons can be prepared through on-surface synthesis, bringing the concept of graphene nanoribbon electronics closer to reality. For future applications it is beneficial to integrate contacts and more functionality directly into single ribbons by using heterostructures. Here, we use the on-surface synthesis approach to fabricate a metal-semiconductor junction and a tunnel barrier in a single graphene nanoribbon consisting of 5- and 7-atom wide segments. We characterize the atomic scale geometry and electronic structure by combined atomic force microscopy, scanning tunneling microscopy, and conductance measurements complemented by density functional theory and transport calculations. These junctions are relevant for developing contacts in all-graphene nanoribbon devices and creating diodes and transistors, and act as a first step toward complete electronic devices built into a single graphene nanoribbon.Adding functional electronic components to graphene nanoribbons requires precise control over their atomic structure. Here, the authors use a bottom-up approach to build a metal-semiconductor junction and a tunnel barrier directly into a single graphene nanoribbon, an exciting development for graphene-based electronic devices.

Influence of surface vacancy defects on the carburisation of Fe 110 surface by carbon monoxide

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

Chakrabarty, Aurab, E-mail: aurab.chakrabarty@qatar.tamu.edu; Bouhali, Othmane; Mousseau, Normand

Adsorption and dissociation of gaseous carbon monoxide (CO) on metal surfaces is one of the most frequently occurring processes of carburisation, known as primary initiator of metal dusting corrosion. Among the various factors that can significantly influence the carburisation process are the intrinsic surface defects such as single surface vacancies occurring at high concentrations due to their low formation energy. Intuitively, adsorption and dissociation barriers of CO are expected to be lowered in the vicinity of a surface vacancy, due to the strong attractive interaction between the vacancy and the C atom. Here the adsorption energies and dissociation pathways ofmore » CO on clean and defective Fe 110 surface are explored by means of density functional theory. Interestingly, we find that the O adatom, resulting from the CO dissociation, is unstable in the electron-deficit neighbourhood of the vacancy due to its large electron affinity, and raises the barrier of the carburisation pathway. Still, a full comparative study between the clean surface and the vacancy-defected surface reveals that the complete process of carburisation, starting from adsorption to subsurface diffusion of C, is more favourable in the vicinity of a vacancy defect.« less

Electronically controlled spoof localized surface plasmons on the corrugated ring with a shorting pin

NASA Astrophysics Data System (ADS)

Zhang, Chao; Zhou, Yong Jin

2018-07-01

We have demonstrated that spoof localized surface plasmons (LSPs) can be controlled by loading a shorting pin into the corrugated ring resonator in the microwave and terahertz (THz) frequencies. Electronical switchability and tunability of spoof LSPs have been achieved by mounting Schottky barrier diodes and varactor diodes across the slit around the shorting pin in the ground plane. An electronically tunable band-pass filter has been demostrated in the microwave frequencies. Such electronically controlled spoof LSPs devices can find more applications for highly integrated plasmonic circuits in microwave and THz frequencies.

Effect of Electronic Excitation on Hydrogen Atom Transfer (Tautomerization) Reactions for the DNA Base Adenine

NASA Technical Reports Server (NTRS)

Chaban, Galina M.; Salter, Latasha M.; Kwak, Dochan (Technical Monitor)

2002-01-01

Geometrical structures and energetic properties for four different tautomers of adenine are calculated in this study, using multi-configurational wave functions. Both the ground and the lowest single excited state potential energy surface are studied. The energetic order of the tautomers on the ground state potential surface is 9H less than 7H less than 3H less than 1H, while on the excited state surface this order is found to be different: 3H less than 1H less than 9H less than 7H. Minimum energy reaction paths are obtained for hydrogen atom transfer (9 yields 3 tautomerization) reactions in the ground and the lowest excited electronic state. It is found that the barrier heights and the shapes of the reaction paths are different for the ground and the excited electronic state, suggesting that the probability of such tautomerization reaction is higher on the excited state potential energy surface. The barrier for this reaction in the excited state may become very low in the presence of water or other polar solvent molecules, and therefore such tautomerization reaction may play an important role in the solution phase photochemistry of adenine.

ZnO Schottky barriers and Ohmic contacts

NASA Astrophysics Data System (ADS)

Brillson, Leonard J.; Lu, Yicheng

2011-06-01

ZnO has emerged as a promising candidate for optoelectronic and microelectronic applications, whose development requires greater understanding and control of their electronic contacts. The rapid pace of ZnO research over the past decade has yielded considerable new information on the nature of ZnO interfaces with metals. Work on ZnO contacts over the past decade has now been carried out on high quality material, nearly free from complicating factors such as impurities, morphological and native point defects. Based on the high quality bulk and thin film crystals now available, ZnO exhibits a range of systematic interface electronic structure that can be understood at the atomic scale. Here we provide a comprehensive review of Schottky barrier and ohmic contacts including work extending over the past half century. For Schottky barriers, these results span the nature of ZnO surface charge transfer, the roles of surface cleaning, crystal quality, chemical interactions, and defect formation. For ohmic contacts, these studies encompass the nature of metal-specific interactions, the role of annealing, multilayered contacts, alloyed contacts, metallization schemes for state-of-the-art contacts, and their application to n-type versus p-type ZnO. Both ZnO Schottky barriers and ohmic contacts show a wide range of phenomena and electronic behavior, which can all be directly tied to chemical and structural changes on an atomic scale.

Dehydrogenation of benzene on Pt(111) surface

NASA Astrophysics Data System (ADS)

Gao, W.; Zheng, W. T.; Jiang, Q.

2008-10-01

The dehydrogenation of benzene on Pt(111) surface is studied by ab initio density functional theory. The minimum energy pathways for benzene dehydrogenation are found with the nudge elastic band method including several factors of the associated barriers, reactive energies, intermediates, and transient states. The results show that there are two possible parallel minimum energy pathways on the Pt(111) surface. Moreover, the tilting angle of the H atom in benzene can be taken as an index for the actual barrier of dehydrogenation. In addition, the properties of dehydrogenation radicals on the Pt(111) surface are explored through their adsorption energy, adsorption geometry, and electronic structure on the surface. The vibrational frequencies of the dehydrogenation radicals derived from the calculations are in agreement with literature data.

Dehydrogenation of benzene on Pt(111) surface.

PubMed

Gao, W; Zheng, W T; Jiang, Q

2008-10-28

The dehydrogenation of benzene on Pt(111) surface is studied by ab initio density functional theory. The minimum energy pathways for benzene dehydrogenation are found with the nudge elastic band method including several factors of the associated barriers, reactive energies, intermediates, and transient states. The results show that there are two possible parallel minimum energy pathways on the Pt(111) surface. Moreover, the tilting angle of the H atom in benzene can be taken as an index for the actual barrier of dehydrogenation. In addition, the properties of dehydrogenation radicals on the Pt(111) surface are explored through their adsorption energy, adsorption geometry, and electronic structure on the surface. The vibrational frequencies of the dehydrogenation radicals derived from the calculations are in agreement with literature data.

Improving Attachments of Non-Invasive (Type III) Electronic Data Loggers to Cetaceans

DTIC Science & Technology

2011-09-30

Micro texturing of the suction cup to reduced leakage: Objective: Use microtexturing to create a superhydrophobic barrier between the lip and the...surface area of a solid, thereby amplifying the natural hydrophobicity of a surface. Superhydrophobicity is created by interfacial tension forces that

Controlled growth-reversal of catalytic carbon nanotubes under electron-beam irradiation.

PubMed

Stolojan, Vlad; Tison, Yann; Chen, Guan Yow; Silva, Ravi

2006-09-01

The growth of carbon nanotubes from Ni catalysts is reversed and observed in real time in a transmission electron microscope, at room temperature. The Ni catalyst is found to be Ni3C and remains attached to the nanotube throughout the irradiation sequence, indicating that C most likely diffuses on the surface of the catalyst to form nanotubes. We calculate the energy barrier for saturating the Ni3C (2-13) surface with C to be 0.14 eV, thus providing a low-energy surface for the formation of graphene planes.

Influence of grid resolution in fluid-model simulation of nanosecond dielectric barrier discharge plasma actuator

NASA Astrophysics Data System (ADS)

Hua, Weizhuo; Fukagata, Koji

2018-04-01

Two-dimensional numerical simulation of a surface dielectric barrier discharge (SDBD) plasma actuator, driven by a nanosecond voltage pulse, is conducted. A special focus is laid upon the influence of grid resolution on the computational result. It is found that the computational result is not very sensitive to the streamwise grid spacing, whereas the wall-normal grid spacing has a critical influence. In particular, the computed propagation velocity changes discontinuously around the wall-normal grid spacing about 2 μm due to a qualitative change of discharge structure. The present result suggests that a computational grid finer than that was used in most of previous studies is required to correctly capture the structure and dynamics of streamer: when a positive nanosecond voltage pulse is applied to the upper electrode, a streamer forms in the vicinity of upper electrode and propagates along the dielectric surface with a maximum propagation velocity of 2 × 108 cm/s, and a gap with low electron and ion density (i.e., plasma sheath) exists between the streamer and dielectric surface. Difference between the results obtained using the finer and the coarser grid is discussed in detail in terms of the electron transport at a position near the surface. When the finer grid is used, the low electron density near the surface is caused by the absence of ionization avalanche: in that region, the electrons generated by ionization is compensated by drift-diffusion flux. In contrast, when the coarser grid is used, underestimated drift-diffusion flux cannot compensate the electrons generated by ionization, and it leads to an incorrect increase of electron density.

Comparative research on activation technique for GaAs photocathodes

NASA Astrophysics Data System (ADS)

Chen, Liang; Qian, Yunsheng; Chang, Benkang; Chen, Xinlong; Yang, Rui

2012-03-01

The properties of GaAs photocathodes mainly depend on the material design and activation technique. In early researches, high-low temperature two-step activation has been proved to get more quantum efficiency than high-temperature single-step activation. But the variations of surface barriers for two activation techniques have not been well studied, thus the best activation temperature, best Cs-O ratio and best activation time for two-step activation technique have not been well found. Because the surface photovoltage spectroscopy (SPS) before activation is only in connection with the body parameters for GaAs photocathode such as electron diffusion length and the spectral response current (SRC) after activation is in connection with not only body parameters but also surface barriers, thus the surface escape probability (SEP) can be well fitted through the comparative research between SPS before activation and SEP after activation. Through deduction for the tunneling process of surface barriers by Schrödinger equation, the width and height for surface barrier I and II can be well fitted through the curves of SEP. The fitting results were well proved and analyzed by quantitative analysis of angle-dependent X-ray photoelectron spectroscopy (ADXPS) which can also study the surface chemical compositions, atomic concentration percentage and layer thickness for GaAs photocathodes. This comparative research method for fitting parameters of surface barriers through SPS before activation and SRC after activation shows a better real-time in system method for the researches of activation techniques.

Experimental visualization of the cathode layer in AC surface dielectric barrier discharge

NASA Astrophysics Data System (ADS)

Kim, Sang-You; Lho, Taihyeop; Chung, Kyu-Sun

2018-06-01

A narrow etched polyimide line at the bottom edge of a biased electrode (BE) and a non-etched dielectric surface near the biased electrode were observed in an atmospheric AC flexible surface dielectric barrier discharge of polyimide dielectric. These findings are attributed to the bombardment of positive oxygen ions on the bottom edge of the BE and the electron breakdown trajectory not contacting the polyimide surface following the electric field lines formed between the BE edge and the surface charge layer on the dielectric. The length of the non-etched dielectric surface during the first micro-discharge was observed as 22 μm. This occurred, regardless of three different operating durations, which is in good agreement with the length of the cathode layer according to Paschen's law.

Thermal Barrier Coatings (les Revetements anti-mur de chaleur)

DTIC Science & Technology

1998-04-01

blades and vanes of advanced aircraft engines », 1992, Yokohama International Gas Turbine Congress... turbine blade and nozzle guide vane aerofoils for the aerogas turbine engine . Figure 9 Scanning electron micrograph of the surface of a plasma...2. Liebert C. H. et al, "Durability of zirconia thermal barrier coatings on air cooled turbine blades in cyclic jet engine operation", NASA

Thermoelectric properties of nano-granular indium-tin-oxide within modified electron filtering model with chemisorption-type potential barriers

NASA Astrophysics Data System (ADS)

Brinzari, V.; Nika, D. L.; Damaskin, I.; Cho, B. K.; Korotcenkov, G.

2016-07-01

In this work, an approach to the numerical study of the thermoelectric parameters of nanoscale indium tin oxide (ITO, Sn content<10 at%) based on an electron filtering model (EFM) was developed. Potential barriers at grain boundaries were assumed to be responsible for a filtering effect. In the case of the dominant inelastic scattering of electrons, the maximal distance between potential barriers was limited in this modified model. The algorithm for such characteristic length calculation was proposed, and its value was evaluated for ITO. In addition, the contributions of different scattering mechanisms (SMs) in electron transport were examined. It was confirmed that in bulk ITO, the scattering on polar optical phonons (POPs) and ionized impurities dominates, limiting electron transport. In the framework of the filtering model, the basic thermoelectric parameters (i.e., electrical conductivity, mobility, Seebeck coefficient, and power factor (PF)) were calculated for ITO in the temperature range of 100-500 °C as a function of potential barrier height. The results demonstrated a sufficient rise of the Seebeck coefficient with an increase in barrier height and specific behavior of PF. It was found that PF is very sensitive to barrier height, and at its optimal value for granular ITO, it may exceed the PF for bulk ITO by 3-5 times. The PF maximum was achieved by band bending, slightly exceeding Fermi energy. The nature of surface potential barriers in nano-granular ITO with specific grains is due to the oxygen chemisorption effect, and this can be observed despite of the degeneracy of the conduction band (CB). This hypothesis and the corresponding calculations are in good agreement with recent experimental studies [Brinzari et al. Thin Solid Films 552 (2014) 225].

Growth of quaternary InAlGaN barrier with ultrathin thickness for HEMT application

NASA Astrophysics Data System (ADS)

Li, Zhonghui; Li, Chuanhao; Peng, Daqing; Zhang, Dongguo; Dong, Xun; Pan, Lei; Luo, Weike; Li, Liang; Yang, Qiankun

2018-06-01

Quaternary InAlGaN barriers with thickness of 7 nm for HEMT application were grown on 3-inch semi-insulating 4H-SiC substrates by metal organic chemical vapor deposition (MOCVD). Focused on growth mechanism of the InAlGaN barrier, the surface morphology and characteristics of InAlGaN/AlN/GaN heterostructures were studied with different growth parameters, including the temperature, Al/Ga ratio and chamber pressure. Among the as-grown samples, high electron mobility is consistent with smooth surface morphology, while high crystalline quality of the quaternary barrier is confirmed by measurements of Photoluminescence (PL) and Mercury-probe Capacity-Voltage (C-V). The recommended heterostructures without SiN passivation is characterized by mobility of 1720 cm2/(V·s), 2DEG density of 1.71*1013 cm-2, sheet resistance of about 210 Ω/□ with a smooth surface morphology and moderate tensile state, specially applied for microwave devices.

A density functional theory study on the carbon chain growth of ethanol formation on Cu-Co (111) and (211) surfaces

NASA Astrophysics Data System (ADS)

Ren, Bohua; Dong, Xiuqin; Yu, Yingzhe; Wen, Guobin; Zhang, Minhua

2017-08-01

Calculations based on the first-principle density functional theory were carried out to study the most controversial reactions in ethanol formation from syngas on Cu-Co surfaces: CO dissociation mechanism and the key reactions of carbon chain growth of ethanol formation (HCO insertion reactions) on four model surfaces (Cu-Co (111) and (211) with Cu-rich or Co-rich surfaces) to investigate the synergy of the Cu and Co components since the complete reaction network of ethanol formation from syngas is a huge computational burden to calculate on four Cu-Co surface models. We investigated adsorption of important species involved in these reactions, activation barrier and reaction energy of H-assisted dissociation mechanism, directly dissociation of CO, and HCO insertion reactions (CHx + HCO → CHxCHO (x = 1-3)) on four Cu-Co surface models. It was found that reactions on Cu-rich (111) and (211) surfaces all have lower activation barrier in H-assisted dissociation and HCO insertion reactions, especially CH + HCO → CHCHO reaction. The PDOS of 4d orbitals of surface Cu and Co atoms of all surfaces were studied. Analysis of d-band center of Cu and Co atoms and the activation barrier data suggested the correlation between electronic property and catalytic performance. Cu-Co bimetallic with Cu-rich surface allows Co to have higher catalytic activity through the interaction of Cu and Co atom. Then it will improve the adsorption of CO and catalytic activity of Co. Thus it is more favorable to the carbon chain growth in ethanol formation. Our study revealed the factors influencing the carbon chain growth in ethanol production and explained the internal mechanism from electronic property aspect.

Surface sensitization mechanism on negative electron affinity p-GaN nanowires

NASA Astrophysics Data System (ADS)

Diao, Yu; Liu, Lei; Xia, Sihao; Feng, Shu; Lu, Feifei

2018-03-01

The surface sensitization is the key to prepare negative electron affinity photocathode. The thesis emphasizes on the study of surface sensitization mechanism of p-type doping GaN nanowires utilizing first principles based on density function theory. The adsorption energy, work function, dipole moment, geometry structure, electronic structure and optical properties of Mg-doped GaN nanowires surfaces with various coverages of Cs atoms are investigated. The GaN nanowire with Mg doped in core position is taken as the sensitization base. At the initial stage of sensitization, the best adsorption site for Cs atom on GaN nanowire surface is BN, the bridge site of two adjacent N atoms. Surface sensitization generates a p-type internal surface with an n-type surface state, introducing a band bending region which can help reduce surface barrier and work function. With increasing Cs coverage, work functions decrease monotonously and the "Cs-kill" phenomenon disappears. For Cs coverage of 0.75 ML and 1 ML, the corresponding sensitization systems reach negative electron affinity state. Through surface sensitization, the absorption curves are red shifted and the absorption coefficient is cut down. All theoretical calculations can guide the design of negative electron affinity Mg doped GaN nanowires photocathode.

Planar edge Schottky barrier-tunneling transistors using epitaxial graphene/SiC junctions.

PubMed

Kunc, Jan; Hu, Yike; Palmer, James; Guo, Zelei; Hankinson, John; Gamal, Salah H; Berger, Claire; de Heer, Walt A

2014-09-10

A purely planar graphene/SiC field effect transistor is presented here. The horizontal current flow over one-dimensional tunneling barrier between planar graphene contact and coplanar two-dimensional SiC channel exhibits superior on/off ratio compared to conventional transistors employing vertical electron transport. Multilayer epitaxial graphene (MEG) grown on SiC(0001̅) was adopted as the transistor source and drain. The channel is formed by the accumulation layer at the interface of semi-insulating SiC and a surface silicate that forms after high vacuum high temperature annealing. Electronic bands between the graphene edge and SiC accumulation layer form a thin Schottky barrier, which is dominated by tunneling at low temperatures. A thermionic emission prevails over tunneling at high temperatures. We show that neglecting tunneling effectively causes the temperature dependence of the Schottky barrier height. The channel can support current densities up to 35 A/m.

Consequences of plasma oxidation and vacuum annealing on the chemical properties and electron accumulation of In2O3 surfaces

NASA Astrophysics Data System (ADS)

Berthold, Theresa; Rombach, Julius; Stauden, Thomas; Polyakov, Vladimir; Cimalla, Volker; Krischok, Stefan; Bierwagen, Oliver; Himmerlich, Marcel

2016-12-01

The influence of oxygen plasma treatments on the surface chemistry and electronic properties of unintentionally doped and Mg-doped In2O3(111) films grown by plasma-assisted molecular beam epitaxy or metal-organic chemical vapor deposition is studied by photoelectron spectroscopy. We evaluate the impact of semiconductor processing technology relevant treatments by an inductively coupled oxygen plasma on the electronic surface properties. In order to determine the underlying reaction processes and chemical changes during film surface-oxygen plasma interaction and to identify reasons for the induced electron depletion, in situ characterization was performed implementing a dielectric barrier discharge oxygen plasma as well as vacuum annealing. The strong depletion of the initial surface electron accumulation layer is identified to be caused by adsorption of reactive oxygen species, which induce an electron transfer from the semiconductor to localized adsorbate states. The chemical modification is found to be restricted to the topmost surface and adsorbate layers. The change in band bending mainly depends on the amount of attached oxygen adatoms and the film bulk electron concentration as confirmed by calculations of the influence of surface state density on the electron concentration and band edge profile using coupled Schrödinger-Poisson calculations. During plasma oxidation, hydrocarbon surface impurities are effectively removed and surface defect states, attributed to oxygen vacancies, vanish. The recurring surface electron accumulation after subsequent vacuum annealing can be consequently explained by surface oxygen vacancies.

Influence of Surface Passivation on AlN Barrier Stress and Scattering Mechanism in Ultra-thin AlN/GaN Heterostructure Field-Effect Transistors.

PubMed

Lv, Y J; Song, X B; Wang, Y G; Fang, Y L; Feng, Z H

2016-12-01

Ultra-thin AlN/GaN heterostructure field-effect transistors (HFETs) with, and without, SiN passivation were fabricated by the same growth and device processes. Based on the measured DC characteristics, including the capacitance-voltage (C-V) and output current-voltage (I-V) curves, the variation of electron mobility with gate bias was found to be quite different for devices with, and without, SiN passivation. Although the AlN barrier layer is ultra thin (c. 3 nm), it was proved that SiN passivation induces no additional tensile stress and has no significant influence on the piezoelectric polarization of the AlN layer using Hall and Raman measurements. The SiN passivation was found to affect the surface properties, thereby increasing the electron density of the two-dimensional electron gas (2DEG) under the access region. The higher electron density in the access region after SiN passivation enhanced the electrostatic screening for the non-uniform distributed polarization charges, meaning that the polarization Coulomb field scattering has a weaker effect on the electron drift mobility in AlN/GaN-based devices.

Test Plan to Assess Fire Effects on the Function of an Engineered Surface Barrier

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

Ward, Anderson L.; Berlin, Gregory T.; Cammann, Jerry W.

2008-09-29

Wildfire is a frequent perturbation in shrub steppe ecosystems, altering the flora, fauna, atmosphere, and soil of these systems. Research on the fire effects has focused mostly on natural ecosystems with essentially no attention on engineered systems like surface barriers. The scope of the project is to use a simulated wildfire to induce changes in an engineered surface barrier and document the effects on barrier performance. The main objective is to quantify the effects of burning and the resulting post-fire conditions on alterations in soil physical properties; hydrologic response, particularly the water balance; geochemical properties; and biological properties. A secondarymore » objective is to use the lessons learned to maximize fire protection in the design of long-term monitoring systems based on electronic sensors. A simulated wildfire will be initiated, controlled and monitored at the 200-BP-1 barrier in collaboration with the Hanford Fire Department during the fall of 2008. The north half of the barrier will be divided into nine 12 x 12 m plots, each of which will be randomly assigned a fuel load of 2 kg m-2 or 4 kg m-2. Each plot will be ignited around the perimeter and flames allowed to carry to the centre. Any remaining unburned vegetation will be manually burned off using a drip torch. Progress of the fire and its effects will be monitored using point measurements of thermal, hydrologic, and biotic variables. Three measures of fire intensity will be used to characterize fire behavior: (1) flame height, (2) the maximum temperature at three vertical profile levels, and (3) total duration of elevated temperature at these levels. Pre-burn plant information, including species diversity, plant height, and canopy diameter will be measured on shrubs from the plots to be burned and from control plots at the McGee ranch. General assessments of shrub survival, recovery, and recruitment will be made after the fire. Near-surface soil samples will be collected pre- and post-burn to determine changes in the gravel content of the surface layer so as to quantify inflationary or deflationary responses to fire and to reveal the ability of the surface to resist post-fire erosive stresses. Measures of bulk density, water repellency, water retention, and hydraulic conductivity will be used to characterize changes in infiltration rates and water storage capacity following the fire. Samples will also be analyzed to quantify geochemical changes including changes in soil pH, cation exchange capacity, specific surface area, and the concentration of macro nutrients (e.g. N, P, K) and other elements such as Na, Mg, Ca, that are critical to the post-fire recovery revegetation. Soil CO2 emissions will be measured monthly for one year following the burn to document post-fire stimulation of carbon turnover and soil biogenic emissions. Surface and subsurface temperature measurements at and near monitoring installations will be used to document fire effects on electronic equipment. The results of this study will be used to bridge the gaps in knowledge on the effects of fire on engineered ecosystems (e.g. surface barriers), particularly the hydrologic and biotic characteristics that govern the water and energy balance. These results will also support the development of practical fire management techniques for barriers that are compatible with wildfire suppression strategies. Furthermore, lessons learned will be use to develop installation strategies needed to protect electronic monitoring equipment from the intense heat of fire and the potential damaging effects of smoke and fire extinguishing agents. Such information is needed to better understand long-term barrier performance under extreme conditions, especially if site maintenance and operational funding is lost for activities such as barrier revegetation.« less

Single-electron population and depopulation of an isolated quantum dot using a surface-acoustic-wave pulse.

PubMed

Kataoka, M; Schneble, R J; Thorn, A L; Barnes, C H W; Ford, C J B; Anderson, D; Jones, G A C; Farrer, I; Ritchie, D A; Pepper, M

2007-01-26

We use a pulse of surface acoustic waves (SAWs) to control the electron population and depopulation of a quantum dot. The barriers between the dot and reservoirs are set high to isolate the dot. Within a time scale of approximately 100 s the dot can be set to a nonequilibrium charge state, where an empty (occupied) level stays below (above) the Fermi energy. A pulse containing a fixed number of SAW periods is sent through the dot, controllably changing the potential, and hence the tunneling probability, to add (remove) an electron to (from) the dot.

Influence of metallic surface states on electron affinity of epitaxial AlN films

NASA Astrophysics Data System (ADS)

Mishra, Monu; Krishna, Shibin; Aggarwal, Neha; Gupta, Govind

2017-06-01

The present article investigates surface metallic states induced alteration in the electron affinity of epitaxial AlN films. AlN films grown by plasma-assisted molecular beam epitaxy system with (30% and 16%) and without metallic aluminium on the surface were probed via photoemission spectroscopic measurements. An in-depth analysis exploring the influence of metallic aluminium and native oxide on the electronic structure of the films is performed. It was observed that the metallic states pinned the Fermi Level (FL) near valence band edge and lead to the reduction of electron affinity (EA). These metallic states initiated charge transfer and induced changes in surface and interface dipoles strength. Therefore, the EA of the films varied between 0.6-1.0 eV due to the variation in contribution of metallic states and native oxide. However, the surface barrier height (SBH) increased (4.2-3.5 eV) adversely due to the availability of donor-like surface states in metallic aluminium rich films.

Experimental study of interfacial fracture toughness in a SiN(x)/PMMA barrier film.

PubMed

Kim, Yongjin; Bulusu, Anuradha; Giordano, Anthony J; Marder, Seth R; Dauskardt, Reinhold; Graham, Samuel

2012-12-01

Organic/inorganic multilayer barrier films play an important role in the semihermetic packaging of organic electronic devices. With the rise in use of flexible organic electronics, there exists the potential for mechanical failure due to the loss of adhesion/cohesion when exposed to harsh environmental operating conditions. Although barrier performance has been the predominant metric for evaluating these encapsulation films, interfacial adhesion between the organic/inorganic barrier films and factors that influence their mechanical strength and reliability has received little attention. In this work, we present the interfacial fracture toughness of a model organic/inorganic multilayer barrier (SiN(x)-PMMA). Data from four point bending (FPB) tests showed that adhesive failure occurred between the SiN(x) and PMMA, and that the adhesion increased from 4.8 to 10 J/m(2) by using a variety of chemical treatments to vary the surface energy at the interface. Moreover, the adhesion strength increased to 28 J/m(2) by creating strong covalent bonds at the interface. Overall, three factors were found to have the greatest impact on the interfacial fracture toughness which were (a) increasing the polar component of the surface energy, (b) creating strong covalent bonds at the organic/inorganic interface, and (c) by increasing the plastic zone size at the crack tip by increasing the thickness of the PMMA layer.

Impact of humidity on functionality of on-paper printed electronics.

PubMed

Bollström, Roger; Pettersson, Fredrik; Dolietis, Peter; Preston, Janet; Osterbacka, Ronald; Toivakka, Martti

2014-03-07

A multilayer coated paper substrate, combining barrier and printability properties was manufactured utilizing a pilot-scale slide curtain coating technique. The coating structure consists of a thin mineral pigment layer coated on top of a barrier layer. The surface properties, i.e. smoothness and surface porosity, were adjusted by the choice of calendering parameters. The influence of surface properties on the fine line printability and conductivity of inkjet-printed silver lines was studied. Surface roughness played a significant role when printing narrow lines, increasing the risk of defects and discontinuities, whereas for wider lines the influence of surface roughness was less critical. A smooth, calendered surface resulted in finer line definition, i.e. less edge raggedness. Dimensional stability and its influence on substrate surface properties as well as on the functionality of conductive tracks and transistors were studied by exposure to high/low humidity cycles. The barrier layer of the multilayer coated paper reduced the dimensional changes and surface roughness increase caused by humidity and helped maintain the conductivity of the printed tracks. Functionality of a printed transistor during a short, one hour humidity cycle was maintained, but a longer exposure to humidity destroyed the non-encapsulated transistor.

Influence of ion transport on discharge propagation of nanosecond dielectric barrier discharge plasma actuator

NASA Astrophysics Data System (ADS)

Hua, Weizhuo; Koji, Fukagata

2017-11-01

A numerical study has been conducted to understand the streamer formation and propagation of nanosecond pulsed surface dielectric barrier discharge of positive polarity. First we compared the result of different grid configuration to investigate the influence of x and y direction grid spacing on the streamer propagation. The streamer propagation is sensitive to y grid spacing especially at the dielectric surface. The streamer propagation velocity can reach 0.2 cm/ns when the voltage magnitude is 12 kV. A narrow gap was found between the streamer and dielectric barrier, where the plasma density is several orders of magnitude smaller than the streamer region. Analyses on the ion transport in the gap and streamer regions show the different ion transport mechanisms in the two different region. In the gap region, the diffusion of electron toward the dielectric layer decreases the seed electron in the beginning of voltage pulse, resulting that ionization avalanche does not occur. The streamer region is not significantly affected by the diffusion flux toward the dielectric layer, so that ionization avalanche takes place and leads to dramatic increase of plasma density.

A New Potential Energy Surface for N+O2: Is There an NOO Minimum?

NASA Technical Reports Server (NTRS)

Walch, Stephen P.

1995-01-01

We report a new calculation of the N+02 potential energy surface using complete active space self-consistent field internally contracted configuration interaction with the Dunning correlation consistent basis sets. The peroxy isomer of N02 is found to be a very shallow minimum separated from NO+O by a barrier of only 0.3 kcal/mol (excluding zero-point effects). The entrance channel barrier height is estimated to be 8.6 kcal/mol for ICCI+Q calculations correlating all but the Ols and N1s electrons with a cc-p VQZ basis set.

Simulation of Nanowires on Metal Vicinal Surfaces: Effect of Growth Parameters and Energetic Barriers

NASA Astrophysics Data System (ADS)

Hamouda, Ajmi B. H.; Blel, Sonia; Einstein, T. L.

2012-02-01

Growing one-dimensional metal structures is an important task in the investigation of the electronic and magnetic properties of new devices. We used kinetic Monte-Carlo (kMC) method to simulate the formation of nanowires of several metallic and non-metallic adatoms on Cu and Pt vicinal surfaces. We found that mono-atomic chains form on step-edges due to energetic barriers (the so-called Ehrlich-shwoebel and exchange barriers) on step-edge. Creation of perfect wires is found to depend on growth parameters and binding energies. We measure the filling ratio of nanowires for different chemical species in a wide range of temperature and flux. Perfect wires were obtained at lower deposition rate for all tested adatoms, however we notice different temperature ranges. Our results were compared with experimental ones [Gambardella et al., Surf. Sci.449, 93-103 (2000), PRB 61, 2254-2262, (2000)]. We review the role of impurities in nanostructuring of surfaces [Hamouda et al., Phys. Rev. B 83, 035423, (2011)] and discuss the effect of their energetic barriers on the obtained quality of nanowires. Our work provides experimentalists with optimum growth parameters for the creation of a uniform distribution of wires on surfaces.

Secondary electron emission influenced by oxidation on the aluminum surface: the roles of the chemisorbed oxygen and the oxide layer

NASA Astrophysics Data System (ADS)

Li, Jiangtao; Hoekstra, Bart; Wang, Zhen-Bin; Qiu, Jie; Pu, Yi-Kang

2018-04-01

A relationship between the apparent secondary electron yield ({γ }{{se}}) and the oxygen coverage/oxide layer thickness on an aluminum cathode is obtained in an experiment under a controlled environment. The apparent secondary electron yield ({γ }{{se}}) is deduced from the breakdown voltage between two parallel plate electrodes in a 360 mTorr argon environment using a simple Townsend breakdown model with the assumption that the variation of the apparent secondary electron yield is dominated by the variation of the argon ion induced processes. The oxygen coverage/oxide layer thickness on the aluminum cathode is measured by a semi in situ x-ray photoemission spectroscopy equipment which is directly attached to the discharge chamber. It is found that three phases exist: (1) in the monomonolayer regime, as the oxygen coverage increases from 0 to 0.3, {γ }{{se}} decreases by nearly 40 % , (2) as the oxygen coverage increases from 0.3 to 1, {γ }{{se}} keeps nearly constant, (3) as the oxide layer thickness increases from about 0.3 nm to about 1.1 nm, {γ }{{se}} increases by 150 % . We propose that, in the submonolayer regime, the chemisorbed oxygen on the aluminum surface causes the decrease of {γ }{{se}} by creating a local potential barrier, which reduces the Auger neutralization rate and the energy gained by the Auger electrons. In the multilayer regime, as the oxide layer grows in thickness, there are three proposed mechanisms which cause the increase of {γ }{{se}}: (1) the work function decreases; (2) resonance neutralization and Auger de-excitation may exist. This is served as another channel for secondary electron production; (3) the kinetic energy of Auger electrons is increased on average, leading to a higher probability for electrons to overcome the surface potential barrier.

Role of Surface-Capping Ligands in Photoexcited Electron Transfer between CdS Nanorods and [FeFe] Hydrogenase and the Subsequent H 2 Generation

DOE PAGES

Wilker, Molly B.; Utterback, James K.; Greene, Sophie; ...

2017-12-08

Complexes of CdS nanorods and [FeFe] hydrogenase from Clostridium acetobutylicum have been shown to photochemically produce H 2. This study examines the role of the ligands that passivate the nanocrystal surfaces in the electron transfer from photoexcited CdS to hydrogenase and the H 2 generation that follows. We functionalized CdS nanorods with a series of mercaptocarboxylate surface-capping ligands of varying lengths and measured their photoexcited electron relaxation by transient absorption (TA) spectroscopy before and after hydrogenase adsorption. Rate constants for electron transfer from the nanocrystals to the enzyme, extracted by modeling of TA kinetics, decrease exponentially with ligand length, suggestingmore » that the ligand layer acts as a barrier to charge transfer and controls the degree of electronic coupling. Relative light-driven H 2 production efficiencies follow the relative quantum efficiencies of electron transfer, revealing the critical role of surface-capping ligands in determining the photochemical activity of these nanocrystal-enzyme complexes. Our results suggest that the H 2 production in this system could be maximized with a choice of a surface-capping ligand that decreases the distance between the nanocrystal surface and the electron injection site of the enzyme.« less

Role of Surface-Capping Ligands in Photoexcited Electron Transfer between CdS Nanorods and [FeFe] Hydrogenase and the Subsequent H 2 Generation

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

Wilker, Molly B.; Utterback, James K.; Greene, Sophie

Complexes of CdS nanorods and [FeFe] hydrogenase from Clostridium acetobutylicum have been shown to photochemically produce H 2. This study examines the role of the ligands that passivate the nanocrystal surfaces in the electron transfer from photoexcited CdS to hydrogenase and the H 2 generation that follows. We functionalized CdS nanorods with a series of mercaptocarboxylate surface-capping ligands of varying lengths and measured their photoexcited electron relaxation by transient absorption (TA) spectroscopy before and after hydrogenase adsorption. Rate constants for electron transfer from the nanocrystals to the enzyme, extracted by modeling of TA kinetics, decrease exponentially with ligand length, suggestingmore » that the ligand layer acts as a barrier to charge transfer and controls the degree of electronic coupling. Relative light-driven H 2 production efficiencies follow the relative quantum efficiencies of electron transfer, revealing the critical role of surface-capping ligands in determining the photochemical activity of these nanocrystal-enzyme complexes. Our results suggest that the H 2 production in this system could be maximized with a choice of a surface-capping ligand that decreases the distance between the nanocrystal surface and the electron injection site of the enzyme.« less

Developing the Surface Chemistry of Transparent Butyl Rubber for Impermeable Stretchable Electronics.

PubMed

Vohra, Akhil; Carmichael, R Stephen; Carmichael, Tricia Breen

2016-10-11

Transparent butyl rubber is a new elastomer that has the potential to revolutionize stretchable electronics due to its intrinsically low gas permeability. Encapsulating organic electronic materials and devices with transparent butyl rubber protects them from problematic degradation due to oxygen and moisture, preventing premature device failure and enabling the fabrication of stretchable organic electronic devices with practical lifetimes. Here, we report a methodology to alter the surface chemistry of transparent butyl rubber to advance this material from acting as a simple device encapsulant to functioning as a substrate primed for direct device fabrication on its surface. We demonstrate a combination of plasma and chemical treatment to deposit a hydrophilic silicate layer on the transparent butyl rubber surface to create a new layered composite that combines Si-OH surface chemistry with the favorable gas-barrier properties of bulk transparent butyl rubber. We demonstrate that these surface Si-OH groups react with organosilanes to form self-assembled monolayers necessary for the deposition of electronic materials, and furthermore demonstrate the fabrication of stretchable gold wires using nanotransfer printing of gold films onto transparent butyl rubber modified with a thiol-terminated self-assembled monolayer. The surface modification of transparent butyl rubber establishes this material as an important new elastomer for stretchable electronics and opens the way to robust, stretchable devices.

Impermeable flexible liquid barrier film for encapsulation of DSSC metal electrodes

PubMed Central

Yang, Junghee; Min, Misook; Yoon, Yeoheung; Kim, Won Jung; Kim, Sol; Lee, Hyoyoung

2016-01-01

Encapsulation of electronic devices such as dye-sensitized solar cells (DSSCs) is prone to degradation under normal atmospheric conditions, even with hermetic barriers on the metal electrodes. Overcoming this problem is crucial to increasing DSSC lifetimes and making them commercially viable. Herein, we report a new impermeable flexible liquid barrier film using polyvinyl alcohol (PVA) and partially reduced graphene oxide (PrGO), which dramatically enhances the lifetime of Ag metal electrodes (typically used in DSSCs) immersed in a highly acidic iodolyte solution. The Ag metal electrode encapsulated by the PVA/PrGO film survived for over 500 hrs, superior to existing barriers of glass frits, epoxy resins and polymers. The PVA/PrGO film strongly adheres to the Ag metal surface, and the resulting PVA/PrGO/Ag electrode is stable even on a curved substrate, with a sheet resistance nearly independent of curvature. These results give new insight for the design of high-performance and solution-processable flexible liquid barrier films for a wide range of applications, in particular for the encapsulation of electronic devices with liquid electrolytes. PMID:27263654

Characterization of the Aluminum-Oxide - Interface in Organic-Based Photoconductors by Electron Tunneling Spectroscopy.

NASA Astrophysics Data System (ADS)

Outzourhit, Abdelkader

In this study both the structure of the native oxide of the aluminum substrate and its electrical properties were investigated using electron tunneling spectroscopy which uses aluminum/aluminum oxide/lead tunnel junctions. It is found that the structure of the oxide as well as the barrier heights vary as a function of the preparation conditions. Room temperature oxidation in air or in the presence of small amounts of water vapor results in a disordered oxide, while glow discharge oxidation in an oxygen plasma leads to a more ordered oxide as evidenced by a sharp Al-O band in the inelastic electron tunneling (IET) spectra of as-grown tunnel junctions. In addition, the thermally oxidized junctions show a large barrier asymmetry (6.1 eV), which decrease as the humidity level is increased. These observations can be correlated with a change in the concentration, charge, and environment of the chemically adsorbed hydroxyl on the surface of the aluminum oxide. Tunneling studies of Hydroxy Squarylium (OHSq)- and PNDMA-doped tunnel junctions reveal the lowering of the effective barrier for electron tunneling as well as the barrier asymmetry in accordance with the modification of the charged hydroxyl groups at the surface of the oxide. IET spectra of these junctions support the Lewis-acid/Lewis-base type of interaction between the oxide surface and the adsorbed molecules. The ionization energy of the OHSq aggregates was measured to be 5.0 eV using the valence band XPS. This parameter was also evaluated from a simple Huckel molecular orbital theory applied to the dye molecule after taking into account the polarization energy. High dark decay rates are associated with low barrier for hole injection into the OHSq aggregates. Schottky emission is the primary cause of the dark decay at low voltages, while the Frenkel -Poole mechanism dominates the dark decay at higher voltages. The Lewis-acid/Lewis-base mechanism for the dark decay is not ruled out. Structural studies reveal the existence of silicon- and sodium-rich protrusions in the samples which show unacceptable dark decay rates. The protrusions can enhance the electric field within the photoconductor and thus lead to higher dark decay rates. (Abstract shortened with permission of author.).

LASER APPLICATIONS AND OTHER TOPICS IN QUANTUM ELECTRONICS: An ultraviolet barrier-discharge OH molecular lamp

NASA Astrophysics Data System (ADS)

Sosnin, E. A.; Erofeev, M. V.; Avdeev, S. M.; Panchenko, Aleksei N.; Panarin, V. A.; Skakun, V. S.; Tarasenko, Viktor F.; Shitts, D. V.

2006-10-01

The energy and spectral parameters of a barrier discharge in a mixture of argon with hydroxyl •OH are studied experimentally. A sealed lamp with the radiation intensity maximum at λ = 309.2 nm, an emitting surface area of ~700 cm2, and a radiant excitance of 1.5 mW cm-2 has been fabricated. The radiant power of the lamp is 1.1 W.

New Insights into Mechanism of Surface Reactions of ZnO Nanorods During Electrons Beam Irradiation.

PubMed

Cho, Youngseung; Ji, Hyunjin; Kim, Hyoungsub; Yoon, Jinsuop; Choi, Byoungdeog

2018-09-01

This study provides new insight into mechanisms of ionic reactions on the surface of ZnO nanorod networks, which could result in enhanced performance in optical or molecular sensors. The current- voltage characteristics of ZnO nanorod network devices exhibit typical nonlinear behavior in air, which implies the formation of a Schottky barrier when metals are used as contacts. The conductance of the device increased significantly in vacuum, which can be explained by the desorption of hydroxyl groups at very low pressure. While physisorbed water or oxygen-related ions can detach from the ZnO surface during evacuation, exposure to high energy in the electron beam is believed to detach the chemisorbed anions of O- and O-2 from the surface of ZnO nanorods, which releases more electrons into the channel. The increase in available electrons enhances the conductance of the ZnO nanorods. Slow initialization of the conductance under ambient conditions indicates that the ionic re-adsorption is inactive under these conditions. Thus, the electron irradiation process can be used to reset the surface ionic molecules on metal oxide nano-structures by tuning the surface potential prior to the passivation process.

Dehydrogenation of methanol to formaldehyde catalyzed by pristine and defective ceria surfaces

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

Beste, Ariana; Overbury, Steven H.

We have explored the dehydrogenation of methoxy on pristine and defective (111), (100), and (110) ceria surfaces with density functional methods. Methanol conversion is used as a probe reaction to understand structure sensitivity of the oxide catalysis. Differences in reaction selectivity have been observed experimentally as a function of crystallographically exposed faces and degree of reduction. We find that the barrier for carbon-hydrogen cleavage in methoxy is similar for the pristine and defective (111), (100), and (110) surfaces. However, there are large differences in the stability of the surface intermediates on the different surfaces. The variations in experimentally observed productmore » selectivities are a consequence of the interplay between barrier controlled bond cleavage and desorption processes. Ultimately, subtle differences in activation energies for carbon-hydrogen cleavage on the different crystallographic faces of ceria could not be correlated with structural or electronic descriptors.« less

Dehydrogenation of methanol to formaldehyde catalyzed by pristine and defective ceria surfaces

DOE PAGES

Beste, Ariana; Overbury, Steven H.

2016-03-09

We have explored the dehydrogenation of methoxy on pristine and defective (111), (100), and (110) ceria surfaces with density functional methods. Methanol conversion is used as a probe reaction to understand structure sensitivity of the oxide catalysis. Differences in reaction selectivity have been observed experimentally as a function of crystallographically exposed faces and degree of reduction. We find that the barrier for carbon-hydrogen cleavage in methoxy is similar for the pristine and defective (111), (100), and (110) surfaces. However, there are large differences in the stability of the surface intermediates on the different surfaces. The variations in experimentally observed productmore » selectivities are a consequence of the interplay between barrier controlled bond cleavage and desorption processes. Ultimately, subtle differences in activation energies for carbon-hydrogen cleavage on the different crystallographic faces of ceria could not be correlated with structural or electronic descriptors.« less

Dehydrogenation of methanol to formaldehyde catalyzed by pristine and defective ceria surfaces.

PubMed

Beste, Ariana; Overbury, Steven H

2016-04-21

We have explored the dehydrogenation of methoxy on pristine and defective (111), (100), and (110) ceria surfaces with density functional methods. Methanol conversion is used as a probe reaction to understand structure sensitivity of the oxide catalysis. Differences in reaction selectivity have been observed experimentally as a function of crystallographically exposed faces and degree of reduction. We find that the barrier for carbon-hydrogen cleavage in methoxy is similar for the pristine and defective (111), (100), and (110) surfaces. However, there are large differences in the stability of the surface intermediates on the different surfaces. The variations in experimentally observed product selectivities are a consequence of the interplay between barrier controlled bond cleavage and desorption processes. Subtle differences in activation energies for carbon-hydrogen cleavage on the different crystallographic faces of ceria could not be correlated with structural or electronic descriptors.

Electronic properties and surface reactivity of SrO-terminated SrTiO3 and SrO-terminated iron-doped SrTiO3

PubMed Central

Staykov, Aleksandar; Tellez, Helena; Druce, John; Wu, Ji; Ishihara, Tatsumi; Kilner, John

2018-01-01

Abstract Surface reactivity and near-surface electronic properties of SrO-terminated SrTiO3 and iron doped SrTiO3 were studied with first principle methods. We have investigated the density of states (DOS) of bulk SrTiO3 and compared it to DOS of iron-doped SrTiO3 with different oxidation states of iron corresponding to varying oxygen vacancy content within the bulk material. The obtained bulk DOS was compared to near-surface DOS, i.e. surface states, for both SrO-terminated surface of SrTiO3 and iron-doped SrTiO3. Electron density plots and electron density distribution through the entire slab models were investigated in order to understand the origin of surface electrons that can participate in oxygen reduction reaction. Furthermore, we have compared oxygen reduction reactions at elevated temperatures for SrO surfaces with and without oxygen vacancies. Our calculations demonstrate that the conduction band, which is formed mainly by the d-states of Ti, and Fe-induced states within the band gap of SrTiO3, are accessible only on TiO2 terminated SrTiO3 surface while the SrO-terminated surface introduces a tunneling barrier for the electrons populating the conductance band. First principle molecular dynamics demonstrated that at elevated temperatures the surface oxygen vacancies are essential for the oxygen reduction reaction. PMID:29535797

Electron Tunneling in Junctions Doped with Semiconductors and Metals.

NASA Astrophysics Data System (ADS)

Bell, Lloyd Douglas, II

In this study, tunnel junctions incorporating thin layers of semiconductors and metals have been analyzed. Inelastic electron tunneling spectroscopy (IETS) was employed to yield high-resolution vibrational spectra of surface species deposited at the oxide-M_2 interface of M_1-M_1O _{rm x}-M _2 tunneling samples. Analysis was also performed on the elastic component of the tunneling current, yielding information on the tunnel barrier shape. The samples in this research exhibit a wide range of behavior. The IETS for Si, SiO_2, and Ge doped samples show direct evidence of SiH _{rm x} and GeH_ {rm x} formation. The particular species formed is shown to depend on the form of the evaporated dopant. Samples were also made with organic dopants deposited over the evaporated dopants. Many such samples show marked effects of the evaporated dopants on the inelastic peak intensities of the organic dopants. These alterations are correlated with the changed reactivity of the oxide surface coupled with a change in the OH dipole layer density on the oxide. Thicker organic dopant layers cause large changes in the elastic tunneling barrier due to OH layer alterations or the low barrier attributes of the evaporated dopant. In the cases of the thicker layers an extra current-carrying mechanism is shown to be contributing. Electron ejection from charge traps is proposed as an explanation for this extra current. The trend of barrier shape with dopant thickness is examined. Many of these dopants also produce a voltage-induced shift in the barrier shape which is stable at low temperature but relaxes at high temperature. This effect is similar to that produced by certain organic dopants and is explained by metastable bond formation between the surface OH and dopant. Other dopants, such as Al, Mg, and Fe, produce different effects. These dopants cause large I-V nonlinearity at low voltages. This nonlinearity is modeled as a giant zero-bias anomaly (ZBA) and fits are presented which show good agreement with theory. For some samples, poor fits result due to additional nonlinearity at higher voltages. This is explained in terms of a barrier lowering due to disruption of the OH layer or the small bandgap of the dopant.

Characterization and Application of a Planar Radio - Inductively-Coupled Plasma Source for the Production of Barrier Coatings.

NASA Astrophysics Data System (ADS)

Mahoney, Leonard Joseph

A planar radio-frequency (rf) inductively-coupled plasma (ICP) source is used to produce fluorocarbon discharges (CF_4/Ar) to fluorinate the surface of high-density polyethylene (HDPE). Using this system, concurrent studies of discharge characteristics, permeation properties of treated polymers and polymer surface characteristics are conducted to advance the use of plasma-fluorinated polymer surfaces as a barrier layer for automotive applications. Langmuir probes are used to determine spatial distribution of charged-particle and space-potential characteristics in Ar and CF_4/Ar discharges and to show the influence of the spatial distribution of the heating regions and the reactor boundaries on the discharge uniformity. Langmuir probes are also used to identify rf anisotropic drift motion of electrons in the heating regions of the source and transient high-energy electron features in pulsed discharges. These latter features allow pulsed ICP sources to be operated at low time-averaged powers that are necessary to treat thermally sensitive polymers. Fourier Transform Infrared (FITR) spectroscopy is used to measure the dissociation of fluorocarbon gases and to explore differences between pulsed- and continuous -power operation. Dissociation levels of CF_4 (50-85%) using pulsed-power operation are as high as that for continuous operation, even though the net time -averaged power is far less with pulsed operation. The result suggests that pulsed fluorocarbon discharges possess high concentrations of chemically-active species needed for rapid surface fluorination. A gravimetric permeation cup method is used to measure the permeation rate of test fuels through HDPE membranes, and electron spectroscopy for chemical analysis (ESCA) studies are performed to determine the stoichiometry and thickness of the barrier layer. From these studies we find that a 50-70 A thick, polar, fluoro-hydrocarbon over layer reduces the permeation of isooctane/toluene/methanol mixtures by a factor of 4. To increase the permeation resistance for automotive applications, this result points towards the deposition of a 1000 A thick fluoro-hydrocarbon barrier coating with stoichiometry and bond structures similar to the CF_4/Ar treated HDPE.

Surface modification of montmorillonite on surface Acid-base characteristics of clay and thermal stability of epoxy/clay nanocomposites.

PubMed

Park, Soo-Jin; Seo, Dong-Il; Lee, Jae-Rock

2002-07-01

In this work, the effect of surface treatments on smectitic clay was investigated in surface energetics and thermal behaviors of epoxy/clay nanocomposites. The pH values, X-ray diffraction (XRD), and Fourier transform infrared spectroscopy (FT-IR) were used to analyze the effect of cation exchange on clay surface and the exfoliation phenomenon of clay interlayer. The surface energetics of clay and thermal properties of epoxy/clay nanocomposites were investigated in contact angles and thermogravimetric analysis (TGA), respectively. From the experimental results, the surface modification of clay by dodecylammonium chloride led to the increases in both distance between silicate layers of about 8 A and surface acid values, as well as in the electron acceptor component (gamma(+)(s)) of surface free energy, resulting in improved interfacial adhesion between basic (or electron donor) epoxy resins and acidic (electron acceptor) clay interlayers. Also, the thermal stability of nanocomposites was highly superior to pure epoxy resin due to the presence of the well-dispersed clay nanolayer, which has a barrier property in a composite system.

Human serum albumin nanoparticles modified with apolipoprotein A-I cross the blood-brain barrier and enter the rodent brain.

PubMed

Zensi, Anja; Begley, David; Pontikis, Charles; Legros, Celine; Mihoreanu, Larisa; Büchel, Claudia; Kreuter, Jörg

2010-12-01

Nanoparticles made of human serum albumin (HSA) and modified with apolipoproteins have previously been shown to transport drugs, which normally do not enter the brain, across the blood-brain barrier (BBB). However the precise mechanism by which nanoparticles with different apolipoproteins on their surface can target to the brain, as yet, has not been totally elucidated. In the present study, HSA nanoparticles with covalently bound apolipoprotein A-I (Apo A-I) as a targetor for brain capillary endothelial cells were injected intravenously into SV 129 mice and Wistar rats. The rodents were sacrificed after 15 or 30 min, and their brains were examined by transmission electron microscopy. Apo A-I nanoparticles could be found inside the endothelial cells of brain capillaries as well as within parenchymal brain tissue of both, mice and rats, whereas control particles without Apo A-I on their surface did not cross the BBB during our experiments. The maintenance of tight junction integrity and barrier function during treatment with nanoparticles was demonstrated by perfusion with a fixative containing lanthanum nitrate as an electron dense marker for the permeability of tight junctions.

Correlation of film morphology and defect content with the charge-carrier transport in thin-film transistors based on ZnO nanoparticles

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

Polster, S.; Jank, M. P. M.; Frey, L.

2016-01-14

The correlation of defect content and film morphology with the charge-carrier transport in field-effect devices based on zinc oxide nanoparticles was investigated. Changes in the defect content and the morphology were realized by annealing and sintering of the nanoparticle thin films. Temperature-dependent electrical measurements reveal that the carrier transport is thermally activated for both the unsintered and sintered thin films. Reduced energetic barrier heights between the particles have been determined after sintering. Additionally, the energetic barrier heights between the particles can be reduced by increasing the drain-to-source voltage and the gate-to-source voltage. The changes in the barrier height are discussedmore » with respect to information obtained by scanning electron microscopy and photoluminescence measurements. It is found that a reduction of surface states and a lower roughness at the interface between the particle layer and the gate dielectric lead to lower barrier heights. Both surface termination and layer morphology at the interface affect the barrier height and thus are the main criteria for mobility improvement and device optimization.« less

Effect of polyethyleneimine modified graphene on the mechanical and water vapor barrier properties of methyl cellulose composite films.

PubMed

Liu, Hongyu; Liu, Cuiyun; Peng, Shuge; Pan, Bingli; Lu, Chang

2018-02-15

A series of novel methyl cellulose (MC) composite films were prepared using polyethyleneimine reduced graphene oxide (PEI-RGO) as an effective filler for water vapor barrier application. The as-prepared PEI-RGO/MC composites were characterized by Fourier transform infrared spectroscopy, X-ray diffraction, thermogravimetric analysis, tensile test and scanning electron microscopy. The experimental and theoretical results exhibited that PEI-RGO was uniformly dispersed in the MC matrix without aggregation and formed an aligned dispersion. The addition of PEI-RGO resulted in an enhanced surface hydrophobicity and a tortuous diffusion pathway for water molecules. Water vapor permeability of PEI-RGO/MC with loading of 3.0% of surface modified graphene was as low as 5.98×10 -11 gmm -2 s -1 Pa -1 . The synergistic effects of enhanced surface hydrophobicity and tortuous diffusion pathway were accounted for the improved water vapor barrier performance of the PEI-RGO/MC composite films. Copyright © 2017 Elsevier Ltd. All rights reserved.

Engineering negative differential conductance with the Cu(111) surface state.

PubMed

Heinrich, B W; Rastei, M V; Choi, D-J; Frederiksen, T; Limot, L

2011-12-09

Low-temperature scanning tunneling microscopy and spectroscopy are employed to investigate electron tunneling from a C60-terminated tip into a Cu(111) surface. Tunneling between a C60 orbital and the Shockley surface states of copper is shown to produce negative differential conductance (NDC) contrary to conventional expectations. NDC can be tuned through barrier thickness or C60 orientation up to complete extinction. The orientation dependence of NDC is a result of a symmetry matching between the molecular tip and the surface states.

Hydrogen generation due to water splitting on Si - terminated 4H-Sic(0001) surfaces

NASA Astrophysics Data System (ADS)

Li, Qingfang; Li, Qiqi; Yang, Cuihong; Rao, Weifeng

2018-02-01

The chemical reactions of hydrogen gas generation via water splitting on Si-terminated 4H-SiC surfaces with or without C/Si vacancies were studied by using first-principles. We studied the reaction mechanisms of hydrogen generation on the 4H-SiC(0001) surface. Our calculations demonstrate that there are major rearrangements in surface when H2O approaches the SiC(0001) surface. The first H splitting from water can occur with ground-state electronic structures. The second H splitting involves an energy barrier of 0.65 eV. However, the energy barrier for two H atoms desorbing from the Si-face and forming H2 gas is 3.04 eV. In addition, it is found that C and Si vacancies can form easier in SiC(0001)surfaces than in SiC bulk and nanoribbons. The C/Si vacancies introduced can enhance photocatalytic activities. It is easier to split OH on SiC(0001) surface with vacancies compared to the case of clean SiC surface. H2 can form on the 4H-SiC(0001) surface with C and Si vacancies if the energy barriers of 1.02 and 2.28 eV are surmounted, respectively. Therefore, SiC(0001) surface with C vacancy has potential applications in photocatalytic water-splitting.

Controlled surface oxidation of multi-layered graphene anode to increase hole injection efficiency in organic electronic devices

NASA Astrophysics Data System (ADS)

Han, Tae-Hee; Kwon, Sung-Joo; Seo, Hong-Kyu; Lee, Tae-Woo

2016-03-01

Ultraviolet ozone (UVO) surface treatment of graphene changes its sp2-hybridized carbons to sp3-bonded carbons, and introduces oxygen-containing components. Oxidized graphene has a finite energy band gap, so UVO modification of the surface of a four-layered graphene anode increases its surface ionization potential up to ∼5.2 eV and improves the hole injection efficiency (η) in organic electronic devices by reducing the energy barrier between the graphene anode and overlying organic layers. By controlling the conditions of the UVO treatment, the electrical properties of the graphene can be tuned to improve η. This controlled surface modification of the graphene will provide a way to achieve efficient and stable flexible displays and solid-state lighting.

Comparison of three dielectric barrier discharges regarding their physical characteristics and influence on the adhesion properties on maple, high density fiberboards and wood plastic composite

NASA Astrophysics Data System (ADS)

Peters, F.; Hünnekens, B.; Wieneke, S.; Militz, H.; Ohms, G.; Viöl, W.

2017-11-01

In this study, three different dielectric barrier discharges, based on the same setup and run with the same power supply, are characterized by emission spectroscopy with regards to the reduced electrical field strength, and the rotational, vibrational and electron temperature. To compare discharges common for the treatment on wood, a coplanar surface barrier discharge, a direct dielectric barrier discharge and a jet system/remote plasma are chosen. To minimize influences due to the setups or power, the discharges are realized with the same electrodes and power supply and normalized to the same power. To evaluate the efficiency of the different discharges and the influence on treated materials, the surface free energy is determined on a maple wood, high density fiberboard and wood plastic composite. The influence is measured depending on the treatment time, with the highest impact in the time of 5 s.

Radiation-tolerant imaging device

DOEpatents

Colella, Nicholas J.; Kimbrough, Joseph R.

1996-01-01

A barrier at a uniform depth for an entire wafer is used to produce imaging devices less susceptible to noise pulses produced by the passage of ionizing radiation. The barrier prevents charge created in the bulk silicon of a CCD detector or a semiconductor logic or memory device from entering the collection volume of each pixel in the imaging device. The charge barrier is a physical barrier, a potential barrier, or a combination of both. The physical barrier is formed by an SiO.sub.2 insulator. The potential barrier is formed by increasing the concentration of majority carriers (holes) to combine with the electron's generated by the ionizing radiation. A manufacturer of CCD imaging devices can produce radiation-tolerant devices by merely changing the wafer type fed into his process stream from a standard wafer to one possessing a barrier beneath its surface, thus introducing a very small added cost to his production cost. An effective barrier type is an SiO.sub.2 layer.

Insights on finite size effects in ab initio study of CO adsorption and dissociation on Fe 110 surface

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

Chakrabarty, Aurab, E-mail: aurab.chakrabarty@qatar.tamu.edu; Bouhali, Othmane; Mousseau, Normand

Adsorption and dissociation of hydrocarbons on metallic surfaces represent crucial steps on the path to carburization, eventually leading to dusting corrosion. While adsorption of CO molecules on Fe surface is a barrier-less exothermic process, this is not the case for the dissociation of CO into C and O adatoms and the diffusion of C beneath the surface that are found to be associated with large energy barriers. In practice, these barriers can be affected by numerous factors that combine to favour the CO-Fe reaction such as the abundance of CO and other hydrocarbons as well as the presence of structuralmore » defects. From a numerical point of view, studying these factors is challenging and a step-by-step approach is necessary to assess, in particular, the influence of the finite box size on the reaction parameters for adsorption and dissociation of CO on metal surfaces. Here, we use density functional theory (DFT) total energy calculations with the climbing-image nudged elastic band method to estimate the adsorption energies and dissociation barriers for different CO coverages with surface supercells of different sizes. We further compute the effect of periodic boundary condition for DFT calculations and find that the contribution from van der Waals interaction in the computation of adsorption parameters is important as they contribute to correcting the finite-size error in small systems. The dissociation process involves carbon insertion into the Fe surface causing a lattice deformation that requires a larger surface system for unrestricted relaxation. We show that, in the larger surface systems associated with dilute CO-coverages, C-insertion is energetically more favourable, leading to a significant decrease in the dissociation barrier. This observation suggests that a large surface system with dilute coverage is necessary for all similar metal-hydrocarbon reactions in order to study their fundamental electronic mechanisms, as an isolated phenomenon, free from finite-size effects.« less

Insights on finite size effects in ab initio study of CO adsorption and dissociation on Fe 110 surface

NASA Astrophysics Data System (ADS)

Chakrabarty, Aurab; Bouhali, Othmane; Mousseau, Normand; Becquart, Charlotte S.; El-Mellouhi, Fedwa

2016-08-01

Adsorption and dissociation of hydrocarbons on metallic surfaces represent crucial steps on the path to carburization, eventually leading to dusting corrosion. While adsorption of CO molecules on Fe surface is a barrier-less exothermic process, this is not the case for the dissociation of CO into C and O adatoms and the diffusion of C beneath the surface that are found to be associated with large energy barriers. In practice, these barriers can be affected by numerous factors that combine to favour the CO-Fe reaction such as the abundance of CO and other hydrocarbons as well as the presence of structural defects. From a numerical point of view, studying these factors is challenging and a step-by-step approach is necessary to assess, in particular, the influence of the finite box size on the reaction parameters for adsorption and dissociation of CO on metal surfaces. Here, we use density functional theory (DFT) total energy calculations with the climbing-image nudged elastic band method to estimate the adsorption energies and dissociation barriers for different CO coverages with surface supercells of different sizes. We further compute the effect of periodic boundary condition for DFT calculations and find that the contribution from van der Waals interaction in the computation of adsorption parameters is important as they contribute to correcting the finite-size error in small systems. The dissociation process involves carbon insertion into the Fe surface causing a lattice deformation that requires a larger surface system for unrestricted relaxation. We show that, in the larger surface systems associated with dilute CO-coverages, C-insertion is energetically more favourable, leading to a significant decrease in the dissociation barrier. This observation suggests that a large surface system with dilute coverage is necessary for all similar metal-hydrocarbon reactions in order to study their fundamental electronic mechanisms, as an isolated phenomenon, free from finite-size effects.

ATS-6 - Synchronous orbit trapped radiation studies with an electron-proton spectrometer

NASA Technical Reports Server (NTRS)

Walker, R. J.; Swanson, R. L.; Winckler, J. R.; Erickson, K. N.

1975-01-01

The paper discusses the University of Minnesota experiment on ATS-6 designed to study the origin and dynamics of high-energy electrons and protons in the outer radiation belt and in the near-earth plasma sheet. The experiment consists of two nearly identical detector assemblies, each of which is a magnetic spectrometer containing four gold-silicon surface barrier detectors. The instrument provides a clean separation between protons and electrons by the combination of pulse height analysis and magnetic deflection.

Electronic field emission models beyond the Fowler-Nordheim one

NASA Astrophysics Data System (ADS)

Lepetit, Bruno

2017-12-01

We propose several quantum mechanical models to describe electronic field emission from first principles. These models allow us to correlate quantitatively the electronic emission current with the electrode surface details at the atomic scale. They all rely on electronic potential energy surfaces obtained from three dimensional density functional theory calculations. They differ by the various quantum mechanical methods (exact or perturbative, time dependent or time independent), which are used to describe tunneling through the electronic potential energy barrier. Comparison of these models between them and with the standard Fowler-Nordheim one in the context of one dimensional tunneling allows us to assess the impact on the accuracy of the computed current of the approximations made in each model. Among these methods, the time dependent perturbative one provides a well-balanced trade-off between accuracy and computational cost.

Ultrathin, transferred layers of thermally grown silicon dioxide as biofluid barriers for biointegrated flexible electronic systems.

PubMed

Fang, Hui; Zhao, Jianing; Yu, Ki Jun; Song, Enming; Farimani, Amir Barati; Chiang, Chia-Han; Jin, Xin; Xue, Yeguang; Xu, Dong; Du, Wenbo; Seo, Kyung Jin; Zhong, Yiding; Yang, Zijian; Won, Sang Min; Fang, Guanhua; Choi, Seo Woo; Chaudhuri, Santanu; Huang, Yonggang; Alam, Muhammad Ashraful; Viventi, Jonathan; Aluru, N R; Rogers, John A

2016-10-18

Materials that can serve as long-lived barriers to biofluids are essential to the development of any type of chronic electronic implant. Devices such as cardiac pacemakers and cochlear implants use bulk metal or ceramic packages as hermetic enclosures for the electronics. Emerging classes of flexible, biointegrated electronic systems demand similar levels of isolation from biofluids but with thin, compliant films that can simultaneously serve as biointerfaces for sensing and/or actuation while in contact with the soft, curved, and moving surfaces of target organs. This paper introduces a solution to this materials challenge that combines (i) ultrathin, pristine layers of silicon dioxide (SiO 2 ) thermally grown on device-grade silicon wafers, and (ii) processing schemes that allow integration of these materials onto flexible electronic platforms. Accelerated lifetime tests suggest robust barrier characteristics on timescales that approach 70 y, in layers that are sufficiently thin (less than 1 μm) to avoid significant compromises in mechanical flexibility or in electrical interface fidelity. Detailed studies of temperature- and thickness-dependent electrical and physical properties reveal the key characteristics. Molecular simulations highlight essential aspects of the chemistry that governs interactions between the SiO 2 and surrounding water. Examples of use with passive and active components in high-performance flexible electronic devices suggest broad utility in advanced chronic implants.

Ultrathin, transferred layers of thermally grown silicon dioxide as biofluid barriers for biointegrated flexible electronic systems

PubMed Central

Fang, Hui; Yu, Ki Jun; Song, Enming; Farimani, Amir Barati; Chiang, Chia-Han; Jin, Xin; Xu, Dong; Du, Wenbo; Seo, Kyung Jin; Zhong, Yiding; Yang, Zijian; Won, Sang Min; Fang, Guanhua; Choi, Seo Woo; Chaudhuri, Santanu; Huang, Yonggang; Alam, Muhammad Ashraful; Viventi, Jonathan; Aluru, N. R.; Rogers, John A.

2016-01-01

Materials that can serve as long-lived barriers to biofluids are essential to the development of any type of chronic electronic implant. Devices such as cardiac pacemakers and cochlear implants use bulk metal or ceramic packages as hermetic enclosures for the electronics. Emerging classes of flexible, biointegrated electronic systems demand similar levels of isolation from biofluids but with thin, compliant films that can simultaneously serve as biointerfaces for sensing and/or actuation while in contact with the soft, curved, and moving surfaces of target organs. This paper introduces a solution to this materials challenge that combines (i) ultrathin, pristine layers of silicon dioxide (SiO2) thermally grown on device-grade silicon wafers, and (ii) processing schemes that allow integration of these materials onto flexible electronic platforms. Accelerated lifetime tests suggest robust barrier characteristics on timescales that approach 70 y, in layers that are sufficiently thin (less than 1 μm) to avoid significant compromises in mechanical flexibility or in electrical interface fidelity. Detailed studies of temperature- and thickness-dependent electrical and physical properties reveal the key characteristics. Molecular simulations highlight essential aspects of the chemistry that governs interactions between the SiO2 and surrounding water. Examples of use with passive and active components in high-performance flexible electronic devices suggest broad utility in advanced chronic implants. PMID:27791052

Studies of Cu adatom island ripening on Cu(100) by LEEM

NASA Astrophysics Data System (ADS)

Bussmann, Ezra; Kellogg, Gary L.

2007-03-01

Simple metal surfaces are model systems for characterizing kinetic processes governing the growth and stability of nanoscale structures. It is generally presumed that diffusive transport of adatoms across terraces determines the rate of these processes. However, STM studies in the temperature range T˜330-420 K reveal that transport between step edges on the Cu(100) surface is limited by detachment barriers at the step edges, rather than by the adatom diffusion barrier.^1 This is because on the Cu(100) surface, mass transport is mediated primarily by vacancies, instead of adatoms. We have used low energy electron microscopy (LEEM) movies to characterize coarsening of Cu islands on the Cu(100) surface in the range T˜460-560 K. By measuring the temperature dependence of the island decay rate we find an activation barrier of 0.9±0.1 eV. This value is comparable to the 0.80±0.03 eV barrier found in STM studies.^1 However, we are not able to conclude that transport is entirely detachment limited at these elevated temperatures. This work serves as background to establish whether or not Pd alloying in the Cu(100) surface will slow Cu surface transport. ^2 1. C. Kl"unker, et al., PRB 58, R7556 (1998). 2. M. L. Grant, et al., PRL 86, 4588 (2001). Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. DOE NNSA, Contract No. DE-AC04-94AL85000.

Morphological characteristics and barrier properties of thermoplastic starch/chitosan blown film.

PubMed

Dang, Khanh Minh; Yoksan, Rangrong

2016-10-05

Fabrication of starch-based edible film using blown film extrusion is challenging and interesting because this process provides continuous operation with shorter production time and lower energy consumption, is less labor intensive, and results in higher productivity than the conventional solution casting technique. Previously, we reported on the preparation and some properties of thermoplastic starch/chitosan (TPS/CTS) blown films; however, their morphological characteristics and barrier properties had not yet been elucidated. The present work thus aims to investigate the effect of chitosan (0.37-1.45%) on morphological characteristics, water vapor and oxygen barrier properties as well as hydrophilicity of the TPS and TPS/CTS films. The relationship between morphological characteristics and properties of the films was also discussed. Scanning electron microscopy (SEM), confocal laser scanning microscopy (CLSM) and X-ray photoelectron spectroscopy (XPS) confirmed the distribution and deposition of chitosan on the film surface. The existence of chitosan on the surface imparted the improved water vapor and oxygen barrier properties and the reduced surface hydrophilicity to the film. The results suggest that this biodegradable bio-based TPS/CTS film could potentially be used as an edible film for food and pharmaceutical applications. Copyright © 2016 Elsevier Ltd. All rights reserved.

Potential barrier heights at metal on oxygen-terminated diamond interfaces

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

Muret, P., E-mail: pierre.muret@neel.cnrs.fr; Traoré, A.; Maréchal, A.

2015-11-28

Electrical properties of metal-semiconductor (M/SC) and metal/oxide/SC structures built with Zr or ZrO{sub 2} deposited on oxygen-terminated surfaces of (001)-oriented diamond films, comprised of a stack of lightly p-doped diamond on a heavily doped layer itself homoepitaxially grown on an Ib substrate, are investigated experimentally and compared to different models. In Schottky barrier diodes, the interfacial oxide layer evidenced by high resolution transmission electron microscopy and electron energy losses spectroscopy before and after annealing, and barrier height inhomogeneities accounts for the measured electrical characteristics until flat bands are reached, in accordance with a model which generalizes that by Tung [Phys.more » Rev. B 45, 13509 (1992)] and permits to extract physically meaningful parameters of the three kinds of interface: (a) unannealed ones, (b) annealed at 350 °C, (c) annealed at 450 °C with the characteristic barrier heights of 2.2–2.5 V in case (a) while as low as 0.96 V in case (c). Possible models of potential barriers for several metals deposited on well defined oxygen-terminated diamond surfaces are discussed and compared to experimental data. It is concluded that interface dipoles of several kinds present at these compound interfaces and their chemical evolution due to annealing are the suitable ingredients that are able to account for the Mott-Schottky behavior when the effect of the metal work function is ignored, and to justify the reverted slope observed regarding metal work function, in contrast to the trend always reported for all other metal-semiconductor interfaces.« less

Electrode redox reactions with polarizable molecules.

PubMed

Matyushov, Dmitry V

2018-04-21

A theory of redox reactions involving electron transfer between a metal electrode and a polarizable molecule in solution is formulated. Both the existence of molecular polarizability and its ability to change due to electron transfer distinguish this problem from classical theories of interfacial electrochemistry. When the polarizability is different between the oxidized and reduced states, the statistics of thermal fluctuations driving the reactant over the activation barrier becomes non-Gaussian. The problem of electron transfer is formulated as crossing of two non-parabolic free energy surfaces. An analytical solution for these free energy surfaces is provided and the activation barrier of electrode electron transfer is given in terms of two reorganization energies corresponding to the oxidized and reduced states of the molecule in solution. The new non-Gaussian theory is, therefore, based on two theory parameters in contrast to one-parameter Marcus formulation for electrode reactions. The theory, which is consistent with the Nernst equation, predicts asymmetry between the cathodic and anodic branches of the electrode current. They show different slopes at small electrode overpotentials and become curved at larger overpotentials. However, the curvature of the Tafel plot is reduced compared to the Marcus-Hush model and approaches the empirical Butler-Volmer form with different transfer coefficients for the anodic and cathodic currents.

Electrode redox reactions with polarizable molecules

NASA Astrophysics Data System (ADS)

Matyushov, Dmitry V.

2018-04-01

A theory of redox reactions involving electron transfer between a metal electrode and a polarizable molecule in solution is formulated. Both the existence of molecular polarizability and its ability to change due to electron transfer distinguish this problem from classical theories of interfacial electrochemistry. When the polarizability is different between the oxidized and reduced states, the statistics of thermal fluctuations driving the reactant over the activation barrier becomes non-Gaussian. The problem of electron transfer is formulated as crossing of two non-parabolic free energy surfaces. An analytical solution for these free energy surfaces is provided and the activation barrier of electrode electron transfer is given in terms of two reorganization energies corresponding to the oxidized and reduced states of the molecule in solution. The new non-Gaussian theory is, therefore, based on two theory parameters in contrast to one-parameter Marcus formulation for electrode reactions. The theory, which is consistent with the Nernst equation, predicts asymmetry between the cathodic and anodic branches of the electrode current. They show different slopes at small electrode overpotentials and become curved at larger overpotentials. However, the curvature of the Tafel plot is reduced compared to the Marcus-Hush model and approaches the empirical Butler-Volmer form with different transfer coefficients for the anodic and cathodic currents.

Electronic-Reconstruction-Enhanced Tunneling Conductance at Terrace Edges of Ultrathin Oxide Films.

PubMed

Wang, Lingfei; Kim, Rokyeon; Kim, Yoonkoo; Kim, Choong H; Hwang, Sangwoon; Cho, Myung Rae; Shin, Yeong Jae; Das, Saikat; Kim, Jeong Rae; Kalinin, Sergei V; Kim, Miyoung; Yang, Sang Mo; Noh, Tae Won

2017-11-01

Quantum mechanical tunneling of electrons across ultrathin insulating oxide barriers has been studied extensively for decades due to its great potential in electronic-device applications. In the few-nanometers-thick epitaxial oxide films, atomic-scale structural imperfections, such as the ubiquitously existed one-unit-cell-high terrace edges, can dramatically affect the tunneling probability and device performance. However, the underlying physics has not been investigated adequately. Here, taking ultrathin BaTiO 3 films as a model system, an intrinsic tunneling-conductance enhancement is reported near the terrace edges. Scanning-probe-microscopy results demonstrate the existence of highly conductive regions (tens of nanometers wide) near the terrace edges. First-principles calculations suggest that the terrace-edge geometry can trigger an electronic reconstruction, which reduces the effective tunneling barrier width locally. Furthermore, such tunneling-conductance enhancement can be discovered in other transition metal oxides and controlled by surface-termination engineering. The controllable electronic reconstruction can facilitate the implementation of oxide electronic devices and discovery of exotic low-dimensional quantum phases. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Controlling effective aspect ratio and packing of clay with pH for improved gas barrier in nanobrick wall thin films.

PubMed

Hagen, David A; Saucier, Lauren; Grunlan, Jaime C

2014-12-24

Polymer-clay thin films constructed via layer-by-layer (LbL) assembly, with a nanobrick wall structure (i.e., clay nanoplatelets as bricks surrounded by a polyelectrolyte mortar), are known to exhibit a high oxygen barrier. Further barrier improvement can be achieved by lowering the pH of the clay suspension in the polyethylenimine (PEI) and montmorillonite (MMT) system. In this case, the charge of the deposited PEI layer is increased in the clay suspension environment, which causes more clay to be deposited. At pH 4, MMT platelets deposit with near perfect ordering, observed with transmission electron microscopy, enabling a 5× improvement in the gas barrier for a 10 PEI/MMT bilayer thin film (85 nm) relative to the same film made with pH 10 MMT. This improved gas barrier approaches that achieved with much higher aspect ratio vermiculite clay. In essence, lower pH is generating a higher effective aspect ratio for MMT due to greater induced surface charge in the PEI layers, which causes heavier clay deposition. These flexible, transparent nanocoatings have a wide range of possible applications, from food and electronics packaging to pressurized bladders.

Nonplasmonic Hot-Electron Photocurrents from Mn-Doped Quantum Dots in Photoelectrochemical Cells.

PubMed

Dong, Yitong; Rossi, Daniel; Parobek, David; Son, Dong Hee

2016-03-03

We report the measurement of the hot-electron current in a photoelectrochemical cell constructed from a glass/ITO/Al2 O3 (ITO=indium tin oxide) electrode coated with Mn-doped quantum dots, where hot electrons with a large excess kinetic energy were produced through upconversion of the excitons into hot electron hole pairs under photoexcitation at 3 eV. In our recent study (J. Am. Chem. Soc. 2015, 137, 5549), we demonstrated the generation of hot electrons in Mn-doped II-VI semiconductor quantum dots and their usefulness in photocatalytic H2 production reaction, taking advantage of the more efficient charge transfer of hot electrons compared with band-edge electrons. Here, we show that hot electrons produced in Mn-doped CdS/ZnS quantum dots possess sufficient kinetic energy to overcome the energy barrier from a 5.4-7.5 nm thick Al2 O3 layer producing a hot-electron current in photoelectrochemical cell. This work demonstrates the possibility of harvesting hot electrons not only at the interface of the doped quantum dot surface, but also far away from it, thus taking advantage of the capability of hot electrons for long-range electron transfer across a thick energy barrier. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemical Modification of Semiconductor Surfaces for Molecular Electronics.

PubMed

Vilan, Ayelet; Cahen, David

2017-03-08

Inserting molecular monolayers within metal/semiconductor interfaces provides one of the most powerful expressions of how minute chemical modifications can affect electronic devices. This topic also has direct importance for technology as it can help improve the efficiency of a variety of electronic devices such as solar cells, LEDs, sensors, and possible future bioelectronic ones. The review covers the main aspects of using chemistry to control the various aspects of interface electrostatics, such as passivation of interface states and alignment of energy levels by intrinsic molecular polarization, as well as charge rearrangement with the adjacent metal and semiconducting contacts. One of the greatest merits of molecular monolayers is their capability to form excellent thin dielectrics, yielding rich and unique current-voltage characteristics for transport across metal/molecular monolayer/semiconductor interfaces. We explain the interplay between the monolayer as tunneling barrier on the one hand, and the electrostatic barrier within the semiconductor, due to its space-charge region, on the other hand, as well as how different monolayer chemistries control each of these barriers. Practical tools to experimentally identify these two barriers and distinguish between them are given, followed by a short look to the future. This review is accompanied by another one, concerning the formation of large-area molecular junctions and charge transport that is dominated solely by molecules.

Ab initio study of Ga-GaN system: Transition from adsorbed metal atoms to a metal–semiconductor junction

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

Witczak, Przemysław; Kempisty, Pawel; Strak, Pawel

2015-11-15

Ab initio studies of a GaN(0001)-Ga system with various thicknesses of a metallic Ga layer were undertaken. The studied systems extend from a GaN(0001) surface with a fractional coverage of gallium atoms to a Ga-GaN metal–semiconductor (m–s) contact. Electronic properties of the system are simulated using density functional theory calculations for different doping of the bulk semiconductor. It is shown that during transition from a bare GaN(0001) surface to a m–s heterostructure, the Fermi level stays pinned at a Ga-broken bond highly dispersive surface state to Ga–Ga states at the m–s interface. Adsorption of gallium leads to an energy gainmore » of about 4 eV for a clean GaN(0001) surface and the energy decreases to 3.2 eV for a thickly Ga-covered surface. The transition to the m–s interface is observed. For a thick Ga overlayer such interface corresponds to a Schottky contact with a barrier equal to 0.9 and 0.6 eV for n- and p-type, respectively. Bond polarization-related dipole layer occurring due to an electron transfer to the metal leads to a potential energy jump of 1.5 eV, independent on the semiconductor doping. Additionally high electron density in the Ga–Ga bond region leads to an energy barrier about 1.2 eV high and 4 Å wide. This feature may adversely affect the conductivity of the n-type m–s system.« less

Selected hydrologic data for the field demonstration of three permeable reactive barriers near Fry Canyon, Utah, 1996-2000

USGS Publications Warehouse

Wilkowske, Chris D.; Rowland, Ryan C.; Naftz, David L.

2001-01-01

Three permeable reactive barriers (PRBs) were installed near Fry Canyon, Utah, in August 1997 to demonstrate the use of PRBs to control the migration of uranium in ground water. Reactive material included (1) bone-char phosphate, (2) zero-valent iron pellets, and (3) amorphous ferric oxyhydroxide coated gravel. An extensive monitoring network was installed in and around each PRB for collection of water samples, analysis of selected water-quality parameters, and monitoring of water levels. Water temperature, specific conductance, pH, Eh (oxidation-reduction potential), and dissolved oxygen were measured continuously within three different barrier materials, and in two monitoring wells. Water temperature and water level below land surface were electronically recorded every hour with pressure transducers. Data were collected from ground-water monitoring wells installed in and around the PRBs during 1996-98 and from surface-water sites in Fry Creek.

The vibrationally adiabatic torsional potential energy surface of trans-stilbene

NASA Astrophysics Data System (ADS)

Chowdary, Praveen D.; Martinez, Todd J.; Gruebele, Martin

2007-05-01

The effect of vibrational Zero Point Energy (ZPE) on the torsional barriers of trans-stilbene is studied in the adiabatic approximation. The two torsional modes corresponding to phenyl rotation are explicitly separated, and the remaining modes are treated as normal coordinates. ZPE reduces the adiabatic barrier along the in-phase torsion from 198 to 13 cm -1. A one-dimensional adiabatic potential for the anti-phase torsion, including the ZPE of the in-phase torsion, reduces the adiabatic barrier from 260 to 58 cm -1. Comparison with recent electronic structure benchmark calculations suggests that vibrational corrections play a significant role in trans-stilbene's experimentally observed planar structure.

Thin film electronic devices with conductive and transparent gas and moisture permeation barriers

DOEpatents

Simpson, Lin Jay

2015-07-28

Thin film electronic devices (or stacks integrated with a substrate) that include a permeation barrier formed of a thin layer of metal that provides a light transmitting and electrically conductive layer, wherein the electrical conductive layer is formed on a surface of the substrate or device layer such as a transparent conducting material layer with pin holes or defects caused by manufacturing and the thin layer of metal is deposited on the conductive layer and formed from a self-healing metal that forms self-terminating oxides. A permeation plug or block is formed in or adjacent to the thin film of metal at or proximate to the pin holes to block further permeation of contaminants through the pin holes.

Adsorption of oxygen on low-index surfaces of the TiAl{sub 3} alloy

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

Latyshev, A. M.; Bakulin, A. V.; Kulkova, S. E., E-mail: kulkova@ms.tsc.ru

Method of the projector augmented waves in the plane-wave basis within the generalized-gradient approximation for the exchange-correlation functional has been used to study oxygen adsorption on (001), (100), and (110) low-index surfaces of the TiAl{sub 3} alloy. It has been established that the sites that are most energetically preferred for the adsorption of oxygen are hollow (H) positions on the (001) surface and bridge (B) positions on the (110) and (100) surfaces. Structural and electronic factors that define their energy preference have been discussed. Changes in the atomic and electronic structure of subsurface layers that occur as the oxygen concentrationmore » increases to three monolayers have been analyzed. It has been shown that the formation of chemical bonds of oxygen with both components of the alloy leads to the appearance of states that are split-off from the bottoms of their valence bands, which is accompanied by the formation of a forbidden gap at the Fermi level and by a weakening of the Ti–Al metallic bonds in the alloy. On the Al-terminated (001) and (110) surfaces, the oxidation of aluminum dominates over that of titanium. On the whole, the binding energy of oxygen on the low-index surfaces with a mixed termination is higher than that at the aluminum-terminated surface. The calculation of the diffusion of oxygen in the TiAl{sub 3} alloy has shown that the lowest barriers correspond to the diffusion between tetrahedral positions in the (001) plane; the diffusion of oxygen in the [001] direction occurs through octahedral and tetrahedral positions. An increase in the concentration of aluminum in the alloy favors a reduction in the height of the energy barriers as compared to the corresponding barriers in the γ-TiAl alloy.« less

Anisotropic transport of normal metal-barrier-normal metal junctions in monolayer phosphorene.

PubMed

De Sarkar, Sangita; Agarwal, Amit; Sengupta, K

2017-07-19

We study transport properties of a phosphorene monolayer in the presence of single and multiple potential barriers of height U 0 and width d, using both continuum and microscopic lattice models, and show that the nature of electron transport along its armchair edge (x direction) is qualitatively different from its counterpart in both conventional two-dimensional electron gas with Schrödinger-like quasiparticles and graphene or surfaces of topological insulators hosting massless Dirac quasiparticles. We show that the transport, mediated by massive Dirac electrons, allows one to achieve collimated quasiparticle motion along x and thus makes monolayer phosphorene an ideal experimental platform for studying Klein paradox in the context of gapped Dirac materials. We study the dependence of the tunneling conductance [Formula: see text] as a function of d and U 0 , and demonstrate that for a given applied voltage V its behavior changes from oscillatory to decaying function of d for a range of U 0 with finite non-zero upper and lower bounds, and provide analytical expression for these bounds within which G decays with d. We contrast such behavior of G with that of massless Dirac electrons in graphene and also with that along the zigzag edge (y direction) in phosphorene where the quasiparticles obey an effective Schrödinger equation at low energy. We also study transport through multiple barriers along x and demonstrate that these properties hold for transport through multiple barriers as well. Finally, we suggest concrete experiments which may verify our theoretical predictions.

Scattering of surface electrons by isolated steps versus periodic step arrays

NASA Astrophysics Data System (ADS)

Ortega, J. E.; Lobo-Checa, J.; Peschel, G.; Schirone, S.; Abd El-Fattah, Z. M.; Matena, M.; Schiller, F.; Borghetti, P.; Gambardella, P.; Mugarza, A.

2013-03-01

We investigate the scattering of electrons belonging to Shockley states of (111)-oriented noble metal surfaces using angle-resolved photoemission (ARPES) and scanning tunneling microscopy (STM). Both ARPES and STM indicate that monatomic steps on a noble metal surface may act either as strongly repulsive or highly transmissive barriers for surface electrons, depending on the coherence of the step lattice, and irrespectively of the average step spacing. By measuring curved crystal surfaces with terrace length ranging from 30 to 180 Å, we show that vicinal surfaces of Au and Ag with periodic step arrays exhibit a remarkable wave function coherence beyond 100 Å step spacings, well beyond the Fermi wavelength limit and independently of the projection of the bulk band gap on the vicinal plane. In contrast, the analysis of transmission resonances investigated by STM shows that a pair of isolated parallel steps defining a 58 Å wide terrace confines and decouples the surface state of the small terrace from that of the (111) surface. We conclude that the formation of laterally confined quantum well states in vicinal surfaces as opposed to propagating superlattice states depends on the loss of coherence driven by imperfection in the superlattice order.

Theoretical determination of the ionization potential and the electron affinity of organic semiconductors

NASA Astrophysics Data System (ADS)

Yanagisawa, Susumu

2017-11-01

Ionization potential and electron affinity of organic semicondutors are important quantities, which are relevant to charge injection barriers. The electrostatic and dynamical contributions to the polarization energies for the injected charges in pentacene polymorphs were investigated. While the dynamical polarization induced narrowing of the energy gap, the electrostatic effect shifted up or down the frontier energy levels, which is sensitive to the molecular orientation at the surface.

Current transient spectroscopy for trapping analysis on Au-free AlGaN/GaN Schottky barrier diode

NASA Astrophysics Data System (ADS)

Hu, J.; Stoffels, S.; Lenci, S.; Bakeroot, B.; Venegas, R.; Groeseneken, G.; Decoutere, S.

2015-02-01

This paper presents a combined technique of high voltage off-state stress and current transient measurements to investigate the trapping/de-trapping characteristics of Au-free AlGaN/GaN Schottky barrier diodes. The device features a symmetric three-terminal structure with a central anode contact surrounded by two separate cathodes. Under the diode off-state stress conditions, the two separate cathodes were electrically shorted. The de-trapping dynamics was studied by monitoring the recovery of the two-dimensional electron gas (2DEG) current at different temperatures by applying 0.5 V at cathode 2 while grounding cathode 1. During the recovery, the anode contact acts as a sensor of changes in diode leakage current. This leakage variation was found to be mainly due to the barrier height variation. With this method, the energy level and capture cross section of different traps in the AlGaN/GaN Schottky barrier diode can be extracted. Furthermore, the physical location of different trapping phenomena is indicated by studying the variation of the diode leakage current during the recovery. We have identified two distinct trapping mechanisms: (i) electron trapping at the AlGaN surface in the vicinity of the Schottky contact which results in the leakage reduction (barrier height ϕB increase) together with RON degradation; (ii) the electron trapping in the GaN channel layer which partially depletes the 2DEG. The physical origin of the two different traps is discussed in the text.

Fabrication and characterization of Au/n-CdTe Schottky barrier under illumination and dark

NASA Astrophysics Data System (ADS)

Bera, Swades Ranjan; Saha, Satyajit

2018-04-01

CdTe nanoparticles have been grown by chemical reduction method using EDA as capping agent. These are used to fabricate Schottky barrier in a simple cost-effective way at room temperature. The grown nanoparticles are structurally characterized by X-ray diffraction (XRD), Transmission electron microscopy (TEM). The optical properties of nano CdTe is characterized by UV-Vis absorption spectra, PL spectra. The band gap of the CdTe nanoparticles is increased as compared to CdTe bulk form indicating there is blue shift. The increase of band gap is due to quantum confinement. Photoluminescence spectra shows peak which corresponds to emission from surface state. CdTe nanofilm is grown on ITO coated glass substrate by dipping it on toluene containing dispersed CdTe nanoparticles. Schottky barrier of Au/n-CdTe is fabricated on ITO coated glass by vacuum deposition of gold. I- V and C- V characteristics of Au/n-CdTe Schottky barrier junction have been studied under dark and light condition. It is found that these characteristics are influenced by surface or interface traps. The values of barrier height, ideality factor, donor concentration and series resistance are obtained from the reverse bias capacitance-voltage measurements.

Optimization of the buffer surface of CoFeB/MgO/CoFeB-based magnetic tunnel junctions by ion beam milling

NASA Astrophysics Data System (ADS)

Martins, L.; Ventura, J.; Ferreira, R.; Freitas, P. P.

2017-12-01

Due to their high tunnel magnetoresistance (TMR) ratios at room temperature, magnetic tunnel junctions (MTJs) with a crystalline MgO insulating barrier and CoFeB ferromagnetic (FM) layers are the best candidates for novel magnetic memory applications. To overcome impedance matching problems in electronic circuits, the MgO barrier must have an ultra-low thickness (∼1 nm). Therefore, it is mandatory to optimize the MTJ fabrication process, in order to prevent relevant defects in the MgO barrier that could affect the magnetic and electrical MTJ properties. Here, a smoothing process aiming to decrease the roughness of the buffer surface before the deposition of the full MTJ stack is proposed. An ion beam milling process was used to etch the surface of an MTJ buffer structure with a Ru top layer. The morphologic results prove an effective decrease of the Ru surface roughness with the etching time. The electrical and magnetic results obtained for MTJs with smoothed buffer structures show a direct influence of the buffer roughness and coupling field on the improvement of the TMR ratio.

The Possible Emergence of Life and Differentiation of a Shallow Biosphere on Irradiated Icy Worlds: The Example of Europa

NASA Astrophysics Data System (ADS)

Russell, Michael J.; Murray, Alison E.; Hand, Kevin P.

2017-12-01

Irradiated ice-covered ocean worlds with rocky mafic mantles may provide the conditions needed to drive the emergence and maintenance of life. Alkaline hydrothermal springs - relieving the geophysical, thermal, and chemical disequilibria between oceans and tidally stressed crusts - could generate inorganic barriers to the otherwise uncontrolled and kinetically disfavored oxidation of hydrothermal hydrogen and methane. Ionic gradients imposed across these inorganic barriers, comprising iron oxyhydroxides and sulfides, could drive the hydrogenation of carbon dioxide and the oxidation of methane through thermodynamically favorable metabolic pathways leading to early life-forms. In such chemostatic environments, fuels may eventually outweigh oxidants. Ice-covered oceans are primarily heated from below, creating convection that could transport putative microbial cells and cellular cooperatives upward to congregate beneath an ice shell, potentially giving rise to a highly focused shallow biosphere. It is here where electron acceptors, ultimately derived from the irradiated surface, could be delivered to such life-forms through exchange with the icy surface. Such zones would act as "electron disposal units" for the biosphere, and occupants might be transferred toward the surface by buoyant diapirs and even entrained into plumes.

Molecularly resolved protein electromechanical properties.

PubMed

Axford, Daniel; Davis, Jason J; Wang, Nan; Wang, Dongxu; Zhang, Tiantian; Zhao, Jianwei; Peters, Ben

2007-08-02

Previous work has shown that protein molecules can be trapped between the conductive surfaces presented by a metal-coated AFM probe and an underlying planar substrate where their molecule-specific conductance characteristics can be assayed. Herein, we demonstrate that transport across such a derived metal-protein-electrode junction falls within three, pressure-dependent, regimes and, further, that pressure-dependent conductance can be utilized in analyzing temporal variations of protein fold. Specifically, the electronic and mechanical properties of the metalloprotein azurin have been characterized under conditions of anisotropic vertical compression through the use of a conducting atomic force microscope (CP-AFM). By utilizing the ability of azurin to chemically self-assemble on the gold surface presented either by the apex of a suitably coated AFM probe or a planar metallic surface, molecular-level transport characteristics are assayable. Under conditions of low force, typically less than 2 nN, the weak physical and electronic coupling between the protein and the conducting contacts impedes tunneling and leads to charge buildup followed by dielectric breakdown. At slightly increased force, 3-5 nN, the copper protein exhibits temporal electron occupation with observable negative differential resistance, while the redox-inactive zinc mutant does not. At imposed loads greater than 5 nN, appreciable electron tunneling can be detected even at low bias for both the redox-active and -inactive species. Dynamic current-voltage characteristics have been recorded and are well-described by a modified Simmons tunneling model. Subsequent analyses enable the electron tunneling barrier height and barrier length to be determined under conditions of quantified vertical stress. The variance observed describes, in essence, the protein's mechanical properties within the confines of the tunnel junction.

Theoretical Study of Tautomerization Reactions for the Ground and First Excited Electronic States of Adenine

NASA Technical Reports Server (NTRS)

Salter, Latasha M.; Chaban, Galina M.; Kwak, Dochan (Technical Monitor)

2002-01-01

Geometrical structures and energetic properties for different tautomers of adenine are calculated in this study, using multi-configurational wave functions. Both the ground and the lowest singlet excited state potential energy surfaces are studied. Four tautomeric forms are considered, and their energetic order is found to be different on the ground and the excited state potential energy surfaces. Minimum energy reaction paths are obtained for hydrogen atom transfer (tautomerization) reactions in the ground and the lowest excited electronic states. It is found that the barrier heights and the shapes of the reaction paths are different for the ground and the excited electronic states, suggesting that the probability of such tautomerization reaction is higher on the excited state potential energy surface. This tautomerization process should become possible in the presence of water or other polar solvent molecules and should play an important role in the photochemistry of adenine.

Generation of Superponderomotive Electrons in Multipicosecond Interactions of Kilojoule Laser Beams with Solid-Density Plasmas.

PubMed

Sorokovikova, A; Arefiev, A V; McGuffey, C; Qiao, B; Robinson, A P L; Wei, M S; McLean, H S; Beg, F N

2016-04-15

The interaction of a multipicosecond, kilojoule laser pulse with a surface of a solid target has been shown to produce electrons with energies far beyond the free-electron ponderomotive limit m_{e}c^{2}a_{0}^{2}/2. Particle-in-cell simulations indicate that an increase in the pulse duration from 1 to 10 ps leads to the formation of a low-density shelf (about 10% of the critical density). The shelf extends over 100  μm toward the vacuum side, with a nonstationary potential barrier forming in that area. Electrons reflected from the barrier gain superponderomotive energy from the potential. Some electrons experience an even greater energy gain due to ponderomotive acceleration when their "dephasing rate" R=γ-p_{x}/m_{e}c drops well below unity, thus increasing acceleration by a factor of 1/R. Both 1D and 2D simulations indicate that these mechanisms are responsible for the generation of extensive thermal distributions with T_{e}>10  MeV and a high-energy cutoff of hundreds of MeV.

The formation of hydrogen permeation barriers on steels by aluminising

NASA Astrophysics Data System (ADS)

Forcey, K. S.; Ross, D. K.; Wu, C. H.

1991-06-01

An extensive investigation has been carried out into the effectiveness of aluminised layers as permeation barriers on AISI 316L stainless and DIN 1.4914 martensitic steels. The study involved measurement of the hydrogen permeation rate through commercially aluminised steel discs of thicknesses in the range 1-1.6 mm, at temperatures between 250 and 600 °C and for an upstream hydrogen pressure of 10 5 Pa. The composition and structure of the aluminide layers were investigated by a number of techniques such as SEM, electron beam microprobe and X-ray diffraction. Accelerator based techniques such as RBS and NRA were employed to study the top micron or so of the surfaces of the samples. By these techniques it was found that the effectiveness of the permeation barrier depended on the formation of a thin surface oxide layer consisting of Al 2O 3. It was found that the permeation rate through the aluminised steels could be reduced by 3-4 orders of magnitude by forming a surface oxide layer up to a micron or so in thickness.

Surface treatment of polypropylene (PP) film by 50 Hz dielectric barrier discharge produced in air and argon/air mixture at atmospheric pressure

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

Joshi, Ujjwal Man, E-mail: umjoshi@gmail.com; Subedi, Deepak Prasad, E-mail: deepaksubedi2001@yahoo.com

Thin films of polypropylene (PP) are treated for improving hydrophilicity using non-thermal plasma generated by 50 Hz line frequency dielectric barrier discharge produced in air and argon/air mixture at atmospheric pressure. PP samples before and after the treatments are studied using contact angle measurements, surface free energy calculations and scanning electron microscopy (SEM). Distilled water (H{sub 2}O), glycerol (C{sub 3}H{sub 8}O{sub 3}) and diiodomethane (CH{sub 2}I{sub 2}) are used as test liquids. The contact angle measurements between test liquids and PP samples are used to determine total surface free energy using sessile drop technique. PP films show a remarkable increase inmore » surface free energy after plasma treatment. SEM analysis of the plasma-treated PP films shows that plasma treatment introduces greater roughness on the surface leading to the increased surface free energy. Furthermore, it is found that introducing a small quantity of argon can enhance the surface treatment remarkably.« less

Amorphous nickel boride membrane on a platinum-nickel alloy surface for enhanced oxygen reduction reaction.

PubMed

He, Daping; Zhang, Libo; He, Dongsheng; Zhou, Gang; Lin, Yue; Deng, Zhaoxiang; Hong, Xun; Wu, Yuen; Chen, Chen; Li, Yadong

2016-08-09

The low activity of the oxygen reduction reaction in polymer electrolyte membrane fuel cells is a major barrier for electrocatalysis, and hence needs to be optimized. Tuning the surface electronic structure of platinum-based bimetallic alloys, a promising oxygen reduction reaction catalyst, plays a key role in controlling its interaction with reactants, and thus affects the efficiency. Here we report that a dealloying process can be utilized to experimentally fabricate the interface between dealloyed platinum-nickel alloy and amorphous nickel boride membrane. The coating membrane works as an electron acceptor to tune the surface electronic structure of the platinum-nickel catalyst, and this composite catalyst composed of crystalline platinum-nickel covered by amorphous nickel boride achieves a 27-times enhancement in mass activity relative to commercial platinum/carbon at 0.9 V for the oxygen reduction reaction performance. Moreover, this interactional effect between a crystalline surface and amorphous membrane can be readily generalized to facilitate the 3-times higher catalytic activity of commercial platinum/carbon.

Elucidating the real-time Ag nanoparticle growth on α-Ag2WO4 during electron beam irradiation: experimental evidence and theoretical insights.

PubMed

Pereira, Wyllamanney da Silva; Andrés, Juan; Gracia, Lourdes; San-Miguel, Miguel A; da Silva, Edison Z; Longo, Elson; Longo, Valeria M

2015-02-21

Why and how Ag is formed when electron beam irradiation takes place on α-Ag2WO4 in a vacuum transmission electron microscopy chamber? To find an answer, the atomic-scale mechanisms underlying the formation and growth of Ag on α-Ag2WO4 have been investigated by detailed in situ transmission electron microscopy (TEM) and field emission scanning electron microscopy (FE-SEM) studies, density functional theory based calculations and ab initio molecular dynamics simulations. The growth process at different times, chemical composition, size distribution and element distribution were analyzed in depth at the nanoscale level using FE-SEM, operated at different voltages (5, 10, 15, and 20 kV), and TEM with energy dispersive spectroscopy (EDS) characterization. The size of Ag nanoparticles covers a wide range of values. Most of the Ag particles are in the 20-40 nm range. The nucleation and formation of Ag on α-Ag2WO4 is a result of structural and electronic changes in the AgOx (x = 2,4, 6, and 7) clusters used as constituent building blocks of this material, consistent with metallic Ag formation. First principle calculations point out that Ag-3 and Ag-4-fold coordinated centers, located in the sub-surface of the (100) surface, are the most energetically favorable to undergo the diffusion process to form metallic Ag. Ab initio molecular dynamics simulations and the nudged elastic band (NEB) method were used to investigate the minimum energy pathways of these Ag atoms from positions in the first slab layer to outward sites on the (100) surface of α-Ag2WO4. The results point out that the injection of electrons decreases the activation barrier for this diffusion step and this unusual behavior results from the presence of a lower energy barrier process.

Efficient small molecular organic light emitting diode with graphene cathode covered by a Sm layer with nano-hollows and n-doped by Bphen:Cs2CO3 in the hollows

NASA Astrophysics Data System (ADS)

Yao, Li; Li, Lei; Qin, Laixiang; Ma, Yaoguang; Wang, Wei; Meng, Hu; Jin, Weifeng; Wang, Yilun; Xu, Wanjin; Ran, Guangzhao; You, Liping; Qin, Guogang

2017-03-01

Graphene is a favorable candidate for electrodes of organic light emitting diodes (OLEDs). Graphene has quite a high work function of ˜4.5 eV, and has been extensively studied when used as anodes of OLEDs. In order to use graphene as a cathode, the electron injection barrier between the graphene cathode and the electron transport layer has to be low enough. Using 4,7-diphenyl-1,10-phenanthroline (Bphen):Cs2CO3 to n-dope graphene is a very good method, but the electron injection barrier between the n-doped graphene and Bphen:Cs2CO3 is still too high to be ˜1.0 eV. In this work, in order to further reduce the electron injection barrier, a novel method is suggested. On the graphene cathode, a Sm layer with a lot of nano-hollows, and subsequently a layer of Bphen:Cs2CO3, are deposited. The Bphen:Cs2CO3 can n-dope graphene in the nano-hollows, and the Fermi level of the graphene rises. The nano Sm layer is very easily oxidized. Oxygen adsorbed on the surface of graphene may react with Sm to form an O--Sm+ dipole layer. On the areas of the Sm oxide dipole layer without nano-hollows, the electron injection barrier can be further lowered by the dipole layer. Electrons tend to mainly inject through the lower electron barrier where the dipole layer exists. Based on this idea, an effective inverted small molecular OLED with the structure of graphene/1 nm Sm layer with a lot of nano-hollows/Bphen:Cs2CO3/Alq3:C545T/NPB/MoO3/Al is presented. The maximum current efficiency and maximum power efficiency of the OLED with a 1 nm Sm layer are about two and three times of those of the reference OLED without any Sm layer, respectively.

Adsorption and desorption of hydrogen at nonpolar GaN (1 1 ¯ 00 ) surfaces: Kinetics and impact on surface vibrational and electronic properties

NASA Astrophysics Data System (ADS)

Lymperakis, L.; Neugebauer, J.; Himmerlich, M.; Krischok, S.; Rink, M.; Kröger, J.; Polyakov, V. M.

2017-05-01

The adsorption of hydrogen at nonpolar GaN (1 1 ¯00 ) surfaces and its impact on the electronic and vibrational properties is investigated using surface electron spectroscopy in combination with density functional theory (DFT) calculations. For the surface mediated dissociation of H2 and the subsequent adsorption of H, an energy barrier of 0.55 eV has to be overcome. The calculated kinetic surface phase diagram indicates that the reaction is kinetically hindered at low pressures and low temperatures. At higher temperatures ab initio thermodynamics show, that the H-free surface is energetically favored. To validate these theoretical predictions experiments at room temperature and under ultrahigh vacuum conditions were performed. They reveal that molecular hydrogen does not dissociatively adsorb at the GaN (1 1 ¯00 ) surface. Only activated atomic hydrogen atoms attach to the surface. At temperatures above 820 K, the attached hydrogen gets desorbed. The adsorbed hydrogen atoms saturate the dangling bonds of the gallium and nitrogen surface atoms and result in an inversion of the Ga-N surface dimer buckling. The signatures of the Ga-H and N-H vibrational modes on the H-covered surface have experimentally been identified and are in good agreement with the DFT calculations of the surface phonon modes. Both theory and experiment show that H adsorption results in a removal of occupied and unoccupied intragap electron states of the clean GaN (1 1 ¯00 ) surface and a reduction of the surface upward band bending by 0.4 eV. The latter mechanism largely reduces surface electron depletion.

Carbon-based sputtered coatings for enhanced chitosan-based films properties

NASA Astrophysics Data System (ADS)

Fernandes, C.; Calderon V., S.; Ballesteros, Lina F.; Cerqueira, Miguel A.; Pastrana, L. M.; Teixeira, José A.; Ferreira, P. J.; Carvalho, S.

2018-03-01

In order to make bio-based packaging materials competitive in comparison to petroleum-based one, some of their properties need to be improved, among which gas permeability is of crucial importance. Thus, in this work, carbon-based coatings were applied on chitosan-based films by radiofrequency reactive magnetron sputtering aiming to improve their barrier properties. Chemical and morphological properties were evaluated in order to determine the effect of the coatings on the chemical structure, surface hydrophobicity and barrier properties of the system. Chemical analysis, performed by electron energy loss spectroscopy and Fourier transform infrared spectroscopy, suggests similar chemical characteristics among all coatings although higher incorporation of hydrogen as the acetylene flux increases was observed. On the other hand, scanning transmission electron microscopy revealed that the porosity of the carbon layer can be tailored by the acetylene flux. More importantly, the chitosan oxygen permeability showed a monotonic reduction as a function of the acetylene flux. This study opens up new opportunities to apply nanostructured coatings on bio-based polymer for enhanced oxygen barrier properties.

High Operating Temperature Midwave Quantum Dot Barrier Infrared Detector (QD-BIRD)

NASA Technical Reports Server (NTRS)

Ting, David Z.; Soibel, Alexander; Hill, Cory J.; Keo, Sam A.; Mumolo, Jason M.; Gunapala, Sarath D.

2012-01-01

The nBn or XBn barrier infrared detector has the advantage of reduced dark current resulting from suppressed Shockley-Read-Hall (SRH) recombination and surface leakage. High performance detectors and focal plane arrays (FPAs) based on InAsSb absorber lattice matched to GaSb substrate, with a matching AlAsSb unipolar electron barrier, have been demonstrated. The band gap of lattice-matched InAsSb yields a detector cutoff wavelength of approximately 4.2 ??m when operating at 150K. We report results on extending the cutoff wavelength of midwave barrier infrared detectors by incorporating self-assembled InSb quantum dots into the active area of the detector. Using this approach, we were able to extend the detector cutoff wavelength to 6 ?m, allowing the coverage of the full midwave infrared (MWIR) transmission window. The quantum dot barrier infrared detector (QD-BIRD) shows infrared response at temperatures up to 225 K.

Intercalating cobalt between graphene and iridium (111): Spatially dependent kinetics from the edges

NASA Astrophysics Data System (ADS)

Vlaic, Sergio; Rougemaille, Nicolas; Kimouche, Amina; Burgos, Benito Santos; Locatelli, Andrea; Coraux, Johann

2017-10-01

Using low-energy electron microscopy, we image in real time the intercalation of a cobalt monolayer between graphene and the (111) surface of iridium. Our measurements reveal that the edges of a graphene flake represent an energy barrier to intercalation. Based on a simple description of the growth kinetics, we estimate this energy barrier and find small, but substantial, local variations. These local variations suggest a possible influence of the graphene orientation with respect to its substrate and of the graphene edge termination on the energy value of the barrier height. Besides, our measurements show that intercalated cobalt is energetically more favorable than cobalt on bare iridium, indicating a surfactant role of graphene.

Unoccupied Electron States and the Formation of Interface between Films of Dimethyl-Substituted Thiophene-Phenylene Coolygomers and Oxidized Silicon Surface

NASA Astrophysics Data System (ADS)

Komolov, A. S.; Lazneva, E. F.; Gerasimova, N. B.; Panina, Yu. A.; Zashikhin, G. D.; Pshenichnyuk, S. A.; Borshchev, O. V.; Ponomarenko, S. A.; Handke, B.

2018-05-01

The unoccupied electron states and the boundary potential barrier during deposition of ultrathin films of dimethyl-substituted thiophene-phenylene coolygomers of the type of CH3-phenylene-thiophene-thiophene-phenylene-CH3 (CH3-PTTP-CH3) on an oxidized silicon surface have been studied. The electronic characteristics have been measured in the energy range from 5 to 20 eV above the Fermi level using total current spectroscopy (TCS). The structure of the CH3-PTTP-CH3 film surfaces has been studied by atomic force microscopy (AFM), and the atomic compositions of the films have been studied by X-ray photoelectron spectroscopy (XPS). The changes in the maximum intensities measured by the TCS method obtained from the deposited CH3-PTTP-CH3 film and from the substrate during increasing in the organic coating thickness to 6 nm is discussed. The formation of the boundary potential barrier in the n-Si/SiO2/CH3-PTTP-CH3 is accompanied by the decrease in the surface work function from 4.2 ± 0.1 to 4.0 ± 0.1 eV as the organic coating thickness increases to 3 nm. The ratio of atomic concentrations C: S in the CH3-PTTP-CH3 films well corresponds to the chemical formula of CH3-PTTP-CH3 molecules. The roughness of the CH3-PTTP-CH3 coating surface was not higher than 10 nm on the 10 × 10 μm areas as the total CH3-PTTP-CH3-layer thickness was about 100 nm.

Micromachined electron tunneling infrared sensors

NASA Technical Reports Server (NTRS)

Kenny, T. W.; Kaiser, W. J.; Podosek, J. A.; Rockstad, H. K.; Reynolds, J. K.

1993-01-01

The development of an improved Golay cell is reported. This new sensor is constructed entirely from micromachined silicon components. A silicon oxynitride (SiO(x)N(y)) membrane is deflected by the thermal expansion of a small volume of trapped gas. To detect the motion of the membrane, an electron tunneling transducer is used. This sensor detects electrons which tunnel through the classically forbidden barrier between a tip and a surface; the electron current is exponentially dependent on the separation between the tip and the surface. The sensitivity of tunneling transducers constructed was typically better than 10(exp -3) A/square root of Hz. Through use of the electron tunneling transducer, the scaling laws which have prevented the miniaturization of the Golay cell are avoided. This detector potentially offers low cost fabrication, compatibility with silicon readout electronics, and operation without cooling. Most importantly, this detector may offer better sensitivity than any other uncooled infrared sensor, with the exception of the original Golay cell.

Experimental demonstration of single electron transistors featuring SiO{sub 2} plasma-enhanced atomic layer deposition in Ni-SiO{sub 2}-Ni tunnel junctions

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

Karbasian, Golnaz, E-mail: Golnaz.Karbasian.1@nd.edu; McConnell, Michael S.; Orlov, Alexei O.

The authors report the use of plasma-enhanced atomic layer deposition (PEALD) to fabricate single-electron transistors (SETs) featuring ultrathin (≈1 nm) tunnel-transparent SiO{sub 2} in Ni-SiO{sub 2}-Ni tunnel junctions. They show that, as a result of the O{sub 2} plasma steps in PEALD of SiO{sub 2}, the top surface of the underlying Ni electrode is oxidized. Additionally, the bottom surface of the upper Ni layer is also oxidized where it is in contact with the deposited SiO{sub 2}, most likely as a result of oxygen-containing species on the surface of the SiO{sub 2}. Due to the presence of these surface parasitic layersmore » of NiO, which exhibit features typical of thermally activated transport, the resistance of Ni-SiO{sub 2}-Ni tunnel junctions is drastically increased. Moreover, the transport mechanism is changed from quantum tunneling through the dielectric barrier to one consistent with thermally activated resistors in series with tunnel junctions. The reduction of NiO to Ni is therefore required to restore the metal-insulator-metal (MIM) structure of the junctions. Rapid thermal annealing in a forming gas ambient at elevated temperatures is presented as a technique to reduce both parasitic oxide layers. This method is of great interest for devices that rely on MIM tunnel junctions with ultrathin barriers. Using this technique, the authors successfully fabricated MIM SETs with minimal trace of parasitic NiO component. They demonstrate that the properties of the tunnel barrier in nanoscale tunnel junctions (with <10{sup −15} m{sup 2} in area) can be evaluated by electrical characterization of SETs.« less

Electronic properties of core-shell nanowire resonant tunneling diodes

PubMed Central

2014-01-01

The electronic sub-band structure of InAs/InP/InAs/InP/InAs core-shell nanowire resonant tunneling diodes has been investigated in the effective mass approximation by varying the core radius and the thickness of the InP barriers and InAs shells. A top-hat, double-barrier potential profile and optimal energy configuration are obtained for core radii and surface shells >10 nm, InAs middle shells <10 nm, and 5 nm InP barriers. In this case, two sub-bands exist above the Fermi level in the InAs middle shell which belongs to the m = 0 and m = 1 ladder of states that have similar wave functions and energies. On the other hand, the lowest m = 0 sub-band in the core falls below the Fermi level but the m = 1 states do not contribute to the current transport since they reside energetically well above the Fermi level. We compare the case of GaAs/AlGaAs/GaAs/AlGaAs/GaAs which may conduct current with smaller applied voltages due to the larger effective mass of electrons in GaAs and discuss the need for doping. PMID:25288912

Electronic properties of core-shell nanowire resonant tunneling diodes.

PubMed

Zervos, Matthew

2014-01-01

The electronic sub-band structure of InAs/InP/InAs/InP/InAs core-shell nanowire resonant tunneling diodes has been investigated in the effective mass approximation by varying the core radius and the thickness of the InP barriers and InAs shells. A top-hat, double-barrier potential profile and optimal energy configuration are obtained for core radii and surface shells >10 nm, InAs middle shells <10 nm, and 5 nm InP barriers. In this case, two sub-bands exist above the Fermi level in the InAs middle shell which belongs to the m = 0 and m = 1 ladder of states that have similar wave functions and energies. On the other hand, the lowest m = 0 sub-band in the core falls below the Fermi level but the m = 1 states do not contribute to the current transport since they reside energetically well above the Fermi level. We compare the case of GaAs/AlGaAs/GaAs/AlGaAs/GaAs which may conduct current with smaller applied voltages due to the larger effective mass of electrons in GaAs and discuss the need for doping.

Definition phase study of the grand tour missions

NASA Technical Reports Server (NTRS)

Simpson, J. A.; Meyer, P.

1972-01-01

The research to define an energetic particle experiment for the OPTGT-MJS missions is reported. The studies reported include: (1) the use of silicon dectectors for low energy, low flux level measurements in the presence of RTG radiation and trapped electrons, (2) high energy proton damage of lithium-drifted and surface barrier silicon detectors, (3) the gas Cerenkov counter, (4) systems for detection of trapped high-energy protons in the presence of trapped electrons, and (5) reliability and redundancy.

Pyroelectric A1GaN/GaN HEMTs for ion-, gas- and Polar-Liquid Sensors

DTIC Science & Technology

2004-08-17

including the manipulation of pico- and nanofluid volumes on chemical or structural modified surfaces and defining suitable interfaces to the macroworld. A... nanofluidic dispensers based on piezo actuators, the micro periphery and the electronics for measuring biochemical assay systems (in vivo and in vitro...interface without the need of a modulation doped barrier. The carrier concentration and electron mobility within the 2DEG can be very high and build

Modeling electron emission and surface effects from diamond cathodes

NASA Astrophysics Data System (ADS)

Dimitrov, D. A.; Smithe, D.; Cary, J. R.; Ben-Zvi, I.; Rao, T.; Smedley, J.; Wang, E.

2015-02-01

We developed modeling capabilities, within the Vorpal particle-in-cell code, for three-dimensional simulations of surface effects and electron emission from semiconductor photocathodes. They include calculation of emission probabilities using general, piece-wise continuous, space-time dependent surface potentials, effective mass, and band bending field effects. We applied these models, in combination with previously implemented capabilities for modeling charge generation and transport in diamond, to investigate the emission dependence on applied electric field in the range from approximately 2 MV/m to 17 MV/m along the [100] direction. The simulation results were compared to experimental data. For the considered parameter regime, conservation of transverse electron momentum (in the plane of the emission surface) allows direct emission from only two (parallel to [100]) of the six equivalent lowest conduction band valleys. When the electron affinity χ is the only parameter varied in the simulations, the value χ = 0.31 eV leads to overall qualitative agreement with the probability of emission deduced from experiments. Including band bending in the simulations improves the agreement with the experimental data, particularly at low applied fields, but not significantly. Using surface potentials with different profiles further allows us to investigate the emission as a function of potential barrier height, width, and vacuum level position. However, adding surface patches with different levels of hydrogenation, modeled with position-dependent electron affinity, leads to the closest agreement with the experimental data.

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

Shao, Tao, E-mail: st@mail.iee.ac.cn; Yang, Wenjin; Zhang, Cheng

Polymer materials, such as polymethylmethacrylate (PMMA), are widely used as insulators in vacuum. The insulating performance of a high-voltage vacuum system is mainly limited by surface flashover of the insulators rather than bulk breakdown. Non-thermal plasmas are an efficient method to modify the chemical and physical properties of polymer material surfaces, and enhance the surface insulating performance. In this letter, an atmospheric-pressure dielectric barrier discharge is used to treat the PMMA surface to improve the surface flashover strength in vacuum. Experimental results indicate that the plasma treatment method using Ar and CF{sub 4} (10:1) as the working gas can etchmore » the PMMA surface, introduce fluoride groups to the surface, and then alter the surface characteristics of the PMMA. The increase in the surface roughness can introduce physical traps that can capture free electrons, and the fluorination can enhance the charge capturing ability. The increase in the surface roughness and the introduction of the fluoride groups can enhance the PMMA hydrophobic ability, improve the charge capturing ability, decrease the secondary electron emission yield, increase the surface resistance, and improve the surface flashover voltage in vacuum.« less

Theoretical study of oxygen sorption and diffusion in the volume and on the surface of a γ-TiAl alloy

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

Bakulin, A. V., E-mail: bakulin@ispms.tsc.ru; Kulkova, S. E.; Hu, Q. M.

2015-02-15

The oxygen sorption on the low-index (001), (100), and (110) surfaces of a γ-TiAl alloy is studied by the pseudopotential method with the generalized gradient approximation for the exchange-correlation functional. The most preferred sites for oxygen sorption in the bulk and on the surface of the alloy are determined. The titanium-rich octahedral site is shown to be preferred for oxygen sorption in the bulk material. The effect of the oxygen concentration on the atomic and electronic structures of the stoichiometric TiAl(100) surface is studied. It is shown that, at the first stage of oxidation, oxygen prefers to form bonds withmore » titanium. The energy barriers for oxygen diffusion on the stoichiometric (100) surface and in the bulk of the material are calculated. The energy barriers are shown to depend substantially on the local environments of oxygen and to increase during diffusion from titanium-rich sites. The most possible mechanism of oxygen diffusion from the (100) surface to the bulk of the material is oxygen migration through tetrahedral sites.« less

Density functional study on the mechanism for the highly active palladium monolayer supported on titanium carbide for the oxygen reduction reaction

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

Mao, Jianjun; Zhang, Yanxing; Chu, Xingli

2016-05-28

The adsorption, diffusion, and dissociation of O{sub 2} on the palladium monolayer supported on TiC(001) surface, MLPd/TiC(001), are investigated using ab initio density functional theory calculations. Strong adhesion of palladium monolayer to the TiC(001) support, accompanied by a modification of electronic structure of the supported palladium, is evidenced. Compared with Pt(111) surface, the MLPd/TiC(001) can enhance the adsorption of O{sub 2}, leading to comparable dissociation barrier and a smaller diffusion barrier of O{sub 2}. Whilst the adsorption strength of atomic O (the dissociation product of O{sub 2}) on MLPd/TiC(001) is similar to that on the Pt(111) surface, possessing high mobility,more » our theoretical results indicate that MLPd/TiC(001) may serve as a good catalyst for the oxygen reduction reaction.« less

Anisotropic transport of normal metal-barrier-normal metal junctions in monolayer phosphorene

NASA Astrophysics Data System (ADS)

De Sarkar, Sangita; Agarwal, Amit; Sengupta, K.

2017-07-01

We study transport properties of a phosphorene monolayer in the presence of single and multiple potential barriers of height U 0 and width d, using both continuum and microscopic lattice models, and show that the nature of electron transport along its armchair edge (x direction) is qualitatively different from its counterpart in both conventional two-dimensional electron gas with Schrödinger-like quasiparticles and graphene or surfaces of topological insulators hosting massless Dirac quasiparticles. We show that the transport, mediated by massive Dirac electrons, allows one to achieve collimated quasiparticle motion along x and thus makes monolayer phosphorene an ideal experimental platform for studying Klein paradox in the context of gapped Dirac materials. We study the dependence of the tunneling conductance G\\equiv {{G}xx} as a function of d and U 0, and demonstrate that for a given applied voltage V its behavior changes from oscillatory to decaying function of d for a range of U 0 with finite non-zero upper and lower bounds, and provide analytical expression for these bounds within which G decays with d. We contrast such behavior of G with that of massless Dirac electrons in graphene and also with that along the zigzag edge (y direction) in phosphorene where the quasiparticles obey an effective Schrödinger equation at low energy. We also study transport through multiple barriers along x and demonstrate that these properties hold for transport through multiple barriers as well. Finally, we suggest concrete experiments which may verify our theoretical predictions.

The role of zonal flows and predator–prey oscillations in triggering the formation of edge and core transport barriers

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

Schmitz, Lothar; Zeng, Lei; Rhodes, Terry L.

2014-04-24

Here, we present direct evidence of low frequency, radially sheared, turbulence-driven flows (zonal flows (ZFs)) triggering edge transport barrier formation preceding the L- to H-mode transition via periodic turbulence suppression in limit-cycle oscillations (LCOs), consistent with predator–prey dynamics. The final transition to edge-localized mode-free H-mode occurs after the equilibrium E × B flow shear increases due to ion pressure profile evolution. ZFs are also observed to initiate formation of an electron internal transport barrier (ITB) at the q = 2 rational surface via local suppression of electron-scale turbulence. Multi-channel Doppler backscattering (DBS) has revealed the radial structure of the ZF-induced shear layer and the E × B shearing rate, ω E×B, in both barrier types. During edge barrier formation, the shearing rate lags the turbulence envelope during the LCO by 90°, transitioning to anti-correlation (180°) when the equilibrium shear dominates the turbulence-driven flow shear due to the increasing edge pressure gradient. The time-dependent flow shear and the turbulence envelope are anti-correlated (180° out of phase) in the electron ITB. LCOs with time-reversed evolution dynamics (transitioning from an equilibrium-flow dominated to a ZF-dominated state) have also been observed during the H–L back-transition and are potentially of interest for controlled ramp-down of the plasma stored energy and pressure (normalized to the poloidal magnetic field)more » $$\\beta_{\\theta} =2\\mu_{0} n{( {T_{{\\rm e}} +T_{{\\rm i}}})}/{B_{\\theta}^{2}}$$ in ITER.« less

The role of zonal flows and predator-prey oscillations in triggering the formation of edge and core transport barriers

NASA Astrophysics Data System (ADS)

Schmitz, L.; Zeng, L.; Rhodes, T. L.; Hillesheim, J. C.; Peebles, W. A.; Groebner, R. J.; Burrell, K. H.; McKee, G. R.; Yan, Z.; Tynan, G. R.; Diamond, P. H.; Boedo, J. A.; Doyle, E. J.; Grierson, B. A.; Chrystal, C.; Austin, M. E.; Solomon, W. M.; Wang, G.

2014-07-01

We present direct evidence of low frequency, radially sheared, turbulence-driven flows (zonal flows (ZFs)) triggering edge transport barrier formation preceding the L- to H-mode transition via periodic turbulence suppression in limit-cycle oscillations (LCOs), consistent with predator-prey dynamics. The final transition to edge-localized mode-free H-mode occurs after the equilibrium E × B flow shear increases due to ion pressure profile evolution. ZFs are also observed to initiate formation of an electron internal transport barrier (ITB) at the q = 2 rational surface via local suppression of electron-scale turbulence. Multi-channel Doppler backscattering (DBS) has revealed the radial structure of the ZF-induced shear layer and the E × B shearing rate, ωE×B, in both barrier types. During edge barrier formation, the shearing rate lags the turbulence envelope during the LCO by 90°, transitioning to anti-correlation (180°) when the equilibrium shear dominates the turbulence-driven flow shear due to the increasing edge pressure gradient. The time-dependent flow shear and the turbulence envelope are anti-correlated (180° out of phase) in the electron ITB. LCOs with time-reversed evolution dynamics (transitioning from an equilibrium-flow dominated to a ZF-dominated state) have also been observed during the H-L back-transition and are potentially of interest for controlled ramp-down of the plasma stored energy and pressure (normalized to the poloidal magnetic field) \\beta_{\\theta} =2\\mu_{0} n{( {T_{e} +T_{i}})}/{B_{\\theta}^{2}} in ITER.

Effect of packing material on methane activation in a dielectric barrier discharge reactor

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

Jo, Sungkwon; Hoon Lee, Dae; Seok Kang, Woo

2013-12-15

The conversion of methane is measured in a planar-type dielectric barrier discharge reactor using γ-Al{sub 2}O{sub 3} (sphere), α-Al{sub 2}O{sub 3} (sphere), and γ-Al{sub 2}O{sub 3} (16–20 mesh). Investigations on the surface properties and shape of the three packing materials clearly indicate that methane activation is considerably affected by the material used. Capacitances inside the discharge gap are estimated from charge–voltage plots, and a comparison of the generated and transferred charges for different packing conditions show that the difference in surface properties between γ- and α-phase Al{sub 2}O{sub 3} affects the discharge characteristics. Moreover, all packing conditions show different chargemore » characteristics that are related to the electron density. Finally, the packing material's shape affects the local electron temperature, which is strongly related to methane conversion. The combined results indicate that both microscale and macroscale variations in a packing material affect the discharge characteristics, and a packing material should be considered carefully for effective methane activation.« less

Investigation the electroplating behavior of self formed CuMn barrier.

PubMed

Wu, Chia-Yang; Lee, Wen-Hsi; Chang, Shih-Chieh; Wang, Ying-Lang

2013-08-01

The electrical and material properties of Copper (Cu) mixed with [0-10 atomic% manganese (Mn)] and pure Cu films deposited on silicon oxide (SiO2)/silicon (Si) are explored. Cu electroplating on self formed CuMn barrier was investigated with different Mn content. The electrochemical deposition of the Cu thin film onto the electrode using CuMn barrier was investigated. Scanning electron microscopic (SEM) micrographs of copper electroplating on CuMn films were examined, and the copper nucleation behaviors changed with the Mn content. Since the electrochemical impedance spectroscopy (EIS) is widely recognized as a powerful tool for the investigation of electrochemical behaviors, the tool was also used to verify the phenomena during plating. It was found that the charge-trasfer impedance decrease with the rise in the Mn content below 5%, but increase with the rise in the Mn content higher than 5%. The result was corresponded to the surface energy, the surface morphology, the corrosion and the oxidation of the substrate.

Temporally, spatially, and spectrally resolved barrier discharge produced in trapped helium gas at atmospheric pressure

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

Chiper, Alina Silvia; Popa, Gheorghe

2013-06-07

Experimental study was made on induced effects by trapped helium gas in the pulsed positive dielectric barrier discharge (DBD) operating in symmetrical electrode configuration at atmospheric pressure. Using fast photography technique and electrical measurements, the differences in the discharge regimes between the stationary and the flowing helium are investigated. It was shown experimentally that the trapped gas atmosphere (TGA) has notable impact on the barrier discharge regime compared with the influence of the flowing gas atmosphere. According to our experimental results, the DBD discharge produced in trapped helium gas can be categorized as a multi-glow (pseudo-glow) discharge, each discharge workingmore » in the sub-normal glow regime. This conclusion is made by considering the duration of current pulse (few {mu}s), their maximum values (tens of mA), the presence of negative slope on the voltage-current characteristic, and the spatio-temporal evolution of the most representative excited species in the discharge gap. The paper focuses on the space-time distribution of the active species with a view to better understand the pseudo-glow discharge mechanism. The physical basis for these effects was suggested. A transition to filamentary discharge is suppressed in TGA mode due to the formation of supplementary source of seed electrons by surface processes (by desorption of electrons due to vibrationally excited nitrogen molecules, originated from barriers surfaces) rather than volume processes (by enhanced Penning ionisation). Finally, we show that the pseudo-glow discharge can be generated by working gas trapping only; maintaining unchanged all the electrical and constructive parameters.« less

Characterization of an atmospheric pressure air plasma source for polymer surface modification

NASA Astrophysics Data System (ADS)

Yang, Shujun; Tang, Jiansheng

2013-10-01

An atmospheric pressure air plasma source was generated through dielectric barrier discharge (DBD). It was used to modify polyethyleneterephthalate (PET) surfaces with very high throughput. An equivalent circuit model was used to calculate the peak average electron density. The emission spectrum from the plasma was taken and the main peaks in the spectrum were identified. The ozone density in the down plasma region was estimated by Absorption Spectroscopy. NSF and ARC-ODU

Theoretical studies of the potential surface for the F - H2 greater than HF + H reaction

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Walch, Stephen, P.; Langhoff, Stephen R.; Taylor, Peter R.; Jaffe, Richard L.

1987-01-01

The F + H2 yields HF + H potential energy hypersurface was studied in the saddle point and entrance channel regions. Using a large (5s 5p 3d 2f 1g/4s 3p 2d) atomic natural orbital basis set, a classical barrier height of 1.86 kcal/mole was obtained at the CASSCF/multireference CI level (MRCI) after correcting for basis set superposition error and including a Davidson correction (+Q) for higher excitations. Based upon an analysis of the computed results, the true classical barrier is estimated to be about 1.4 kcal/mole. The location of the bottleneck on the lowest vibrationally adiabatic potential curve was also computed and the translational energy threshold determined from a one-dimensional tunneling calculation. Using the difference between the calculated and experimental threshold to adjust the classical barrier height on the computed surface yields a classical barrier in the range of 1.0 to 1.5 kcal/mole. Combining the results of the direct estimates of the classical barrier height with the empirical values obtained from the approximation calculations of the dynamical threshold, it is predicted that the true classical barrier height is 1.4 + or - 0.4 kcal/mole. Arguments are presented in favor of including the relatively large +Q correction obtained when nine electrons are correlated at the CASSCF/MRCI level.

Effect of nanodimensional polyethylenimine layer on surface potential barriers of hybrid structures based on silicon single crystal

NASA Astrophysics Data System (ADS)

Malyar, Ivan V.; Gorin, Dmitry A.; Stetsyura, Svetlana V.

2013-01-01

In this report we present the analysis of I-V curves for MIS-structures like silicon substrate / nanodimensional polyelectrolyte layer / metal probe (contact) which is promising for biosensors, microfluidic chips, different devices of molecular electronics, such as OLEDs, solar cells, where polyelectrolyte layers can be used to modify semiconductor surface. The research is directed to investigate the contact phenomena which influence the resulting signal of devices mentioned above. The comparison of I-V characteristics of such structures measured by scanning tunnel microscopy (contactless technique) and using contact areas deposited by thermal evaporation onto the organic layer (the contact one) was carried out. The photoassisted I-V measurements and complex analysis based on Simmons and Schottky models allow one to extract the potential barriers and to observe the changes of charge transport in MIS-structures under illumination and after polyelectrolyte adsorption. The direct correlation between the thickness of the deposited polyelectrolyte layer and both equilibrium tunnel barrier and Schottky barrier height was observed for hybrid structures with polyethylenimine. The possibility of control over the I-V curves of hybrid structure and the height of the potential barriers (for different charge transports) by illumination was confirmed. Based on experimental data and complex analysis the band diagrams were plotted which illustrate the changes of potential barriers for MIS-structures due to the polyelectrolyte adsorption and under the illumination.

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

Marrakchi, G.; Barbier, D.; Guillot, G.

Electrical and deep level transient spectroscopy measurements on Schottky barriers were performed in order to characterize electrically active defects in n-type GaAs (Bridgman substrates or liquid-phase epitaxial layers) after pulsed electron beam annealing. Both surface damage and bulk defects were observed in the Bridgman substrates depending on the pulse energy density. No electron traps were detected in the liquid-phase epitaxial layers before and after annealing for an energy density of 0.4 J/cm/sup 2/. The existence of an interfacial insulating layer at the metal-semiconductor interface, associated with As out-diffusion during the pulsed electron irradiation, was revealed by the abnormally high valuesmore » of the Schottky barrier diffusion potential. Moreover, two new electron traps with activation energy of 0.35 and 0.43 eV, called EP1 and EP2, were introduced in the Bridgman substrates after pulsed electron beam annealing. The presence of these traps, related to the As evaporation, was tentatively attributed to the decrease of the EL2 electron trap signal after 0.4-J/cm/sup 2/ annealing. It is proposed that these new defects states are due to the decomposition of the As/sub Ga/-As/sub i/ complex recently considered as the most probable defect configuration for the dominant EL2 electron trap usually detected in as-grown GaAs substrates.« less

Thermal Cycling Behavior of Thermal Barrier Coatings with MCrAlY Bond Coat Irradiated by High-Current Pulsed Electron Beam.

PubMed

Cai, Jie; Lv, Peng; Guan, Qingfeng; Xu, Xiaojing; Lu, Jinzhong; Wang, Zhiping; Han, Zhiyong

2016-11-30

Microstructural modifications of a thermally sprayed MCrAlY bond coat subjected to high-current pulsed electron beam (HCPEB) and their relationships with thermal cycling behavior of thermal barrier coatings (TBCs) were investigated. Microstructural observations revealed that the rough surface of air plasma spraying (APS) samples was significantly remelted and replaced by many interconnected bulged nodules after HCPEB irradiation. Meanwhile, the parallel columnar grains with growth direction perpendicular to the coating surface were observed inside these bulged nodules. Substantial Y-rich Al 2 O 3 bubbles and varieties of nanocrystallines were distributed evenly on the top of the modified layer. A physical model was proposed to describe the evaporation-condensation mechanism taking place at the irradiated surface for generating such surface morphologies. The results of thermal cycling test showed that HCPEB-TBCs presented higher thermal cycling resistance, the spalling area of which after 200 cycles accounted for only 1% of its total area, while it was about 34% for APS-TBCs. The resulting failure mode, i.e., in particular, a mixed delamination crack path, was shown and discussed. The irradiated effects including compact remelted surface, abundant nanoparticles, refined columnar grains, Y-rich alumina bubbles, and deformation structures contributed to the formation of a stable, continuous, slow-growing, and uniform thermally grown oxide with strong adherent ability. It appeared to be responsible for releasing stress and changing the cracking paths, and ultimately greatly improving the thermal cycling behavior of HCPEB-TBCs.

Modulating the Surface State of SiC to Control Carrier Transport in Graphene/SiC.

PubMed

Jia, Yuping; Sun, Xiaojuan; Shi, Zhiming; Jiang, Ke; Liu, Henan; Ben, Jianwei; Li, Dabing

2018-05-28

Silicon carbide (SiC) with epitaxial graphene (EG/SiC) shows a great potential in the applications of electronic and photoelectric devices. The performance of devices is primarily dependent on the interfacial heterojunction between graphene and SiC. Here, the band structure of the EG/SiC heterojunction is experimentally investigated by Kelvin probe force microscopy. The dependence of the barrier height at the EG/SiC heterojunction to the initial surface state of SiC is revealed. Both the barrier height and band bending tendency of the heterojunction can be modulated by controlling the surface state of SiC, leading to the tuned carrier transport behavior at the EG/SiC interface. The barrier height at the EG/SiC(000-1) interface is almost ten times that of the EG/SiC(0001) interface. As a result, the amount of carrier transport at the EG/SiC(000-1) interface is about ten times that of the EG/SiC(0001) interface. These results offer insights into the carrier transport behavior at the EG/SiC heterojunction by controlling the initial surface state of SiC, and this strategy can be extended in all devices with graphene as the top layer. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

PubMed

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

2015-08-18

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

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

Wagner, Albert F., E-mail: wagner@anl.gov; Dawes, Richard; Continetti, Robert E.

The measured H(D)OCO survival fractions of the photoelectron-photofragment coincidence experiments by the Continetti group are qualitatively reproduced by tunneling calculations to H(D) + CO{sub 2} on several recent ab initio potential energy surfaces for the HOCO system. The tunneling calculations involve effective one-dimensional barriers based on steepest descent paths computed on each potential energy surface. The resulting tunneling probabilities are converted into H(D)OCO survival fractions using a model developed by the Continetti group in which every oscillation of the H(D)-OCO stretch provides an opportunity to tunnel. Four different potential energy surfaces are examined with the best qualitative agreement with experimentmore » occurring for the PIP-NN surface based on UCCSD(T)-F12a/AVTZ electronic structure calculations and also a partial surface constructed for this study based on CASPT2/AVDZ electronic structure calculations. These two surfaces differ in barrier height by 1.6 kcal/mol but when matched at the saddle point have an almost identical shape along their reaction paths. The PIP surface is a less accurate fit to a smaller ab initio data set than that used for PIP-NN and its computed survival fractions are somewhat inferior to PIP-NN. The LTSH potential energy surface is the oldest surface examined and is qualitatively incompatible with experiment. This surface also has a small discontinuity that is easily repaired. On each surface, four different approximate tunneling methods are compared but only the small curvature tunneling method and the improved semiclassical transition state method produce useful results on all four surfaces. The results of these two methods are generally comparable and in qualitative agreement with experiment on the PIP-NN and CASPT2 surfaces. The original semiclassical transition state theory method produces qualitatively incorrect tunneling probabilities on all surfaces except the PIP. The Eckart tunneling method uses the least amount of information about the reaction path and produces too high a tunneling probability on PIP-NN surface, leading to survival fractions that peak at half their measured values.« less

A first-principles analysis of ballistic conductance, grain boundary scattering and vertical resistance in aluminum interconnects

NASA Astrophysics Data System (ADS)

Zhou, Tianji; Lanzillo, Nicholas A.; Bhosale, Prasad; Gall, Daniel; Quon, Roger

2018-05-01

We present an ab initio evaluation of electron scattering mechanisms in Al interconnects from a back-end-of-line (BEOL) perspective. We consider the ballistic conductance as a function of nanowire size, as well as the impact of surface oxidation on electron transport. We also consider several representative twin grain boundaries and calculate the specific resistivity and reflection coefficients for each case. Lastly, we calculate the vertical resistance across the Al/Ta(N)/Al and Cu/Ta(N)/Cu interfaces, which are representative of typical vertical interconnect structures with diffusion barriers. Despite a high ballistic conductance, the calculated specific resistivities at grain boundaries are 70-100% higher in Al than in Cu, and the vertical resistance across Ta(N) diffusion barriers are 60-100% larger for Al than for Cu. These results suggest that in addition to the well-known electromigration limitations in Al interconnects, electron scattering represents a major problem in achieving low interconnect line resistance at fine dimensions.

The Possible Emergence of Life and Differentiation of a Shallow Biosphere on Irradiated Icy Worlds: The Example of Europa.

PubMed

Russell, Michael J; Murray, Alison E; Hand, Kevin P

2017-12-01

Irradiated ice-covered ocean worlds with rocky mafic mantles may provide the conditions needed to drive the emergence and maintenance of life. Alkaline hydrothermal springs-relieving the geophysical, thermal, and chemical disequilibria between oceans and tidally stressed crusts-could generate inorganic barriers to the otherwise uncontrolled and kinetically disfavored oxidation of hydrothermal hydrogen and methane. Ionic gradients imposed across these inorganic barriers, comprising iron oxyhydroxides and sulfides, could drive the hydrogenation of carbon dioxide and the oxidation of methane through thermodynamically favorable metabolic pathways leading to early life-forms. In such chemostatic environments, fuels may eventually outweigh oxidants. Ice-covered oceans are primarily heated from below, creating convection that could transport putative microbial cells and cellular cooperatives upward to congregate beneath an ice shell, potentially giving rise to a highly focused shallow biosphere. It is here where electron acceptors, ultimately derived from the irradiated surface, could be delivered to such life-forms through exchange with the icy surface. Such zones would act as "electron disposal units" for the biosphere, and occupants might be transferred toward the surface by buoyant diapirs and even entrained into plumes. Key Words: Biofilms-Europa-Extraterrestrial life-Hydrothermal systems. Astrobiology 17, 1265-1273.

The Possible Emergence of Life and Differentiation of a Shallow Biosphere on Irradiated Icy Worlds: The Example of Europa

PubMed Central

Murray, Alison E.; Hand, Kevin P.

2017-01-01

Abstract Irradiated ice-covered ocean worlds with rocky mafic mantles may provide the conditions needed to drive the emergence and maintenance of life. Alkaline hydrothermal springs—relieving the geophysical, thermal, and chemical disequilibria between oceans and tidally stressed crusts—could generate inorganic barriers to the otherwise uncontrolled and kinetically disfavored oxidation of hydrothermal hydrogen and methane. Ionic gradients imposed across these inorganic barriers, comprising iron oxyhydroxides and sulfides, could drive the hydrogenation of carbon dioxide and the oxidation of methane through thermodynamically favorable metabolic pathways leading to early life-forms. In such chemostatic environments, fuels may eventually outweigh oxidants. Ice-covered oceans are primarily heated from below, creating convection that could transport putative microbial cells and cellular cooperatives upward to congregate beneath an ice shell, potentially giving rise to a highly focused shallow biosphere. It is here where electron acceptors, ultimately derived from the irradiated surface, could be delivered to such life-forms through exchange with the icy surface. Such zones would act as “electron disposal units” for the biosphere, and occupants might be transferred toward the surface by buoyant diapirs and even entrained into plumes. Key Words: Biofilms—Europa—Extraterrestrial life—Hydrothermal systems. Astrobiology 17, 1265–1273. PMID:29016193

Low damage electrical modification of 4H-SiC via ultrafast laser irradiation

NASA Astrophysics Data System (ADS)

Ahn, Minhyung; Cahyadi, Rico; Wendorf, Joseph; Bowen, Willie; Torralva, Ben; Yalisove, Steven; Phillips, Jamie

2018-04-01

The electrical properties of 4H-SiC under ultrafast laser irradiation in the low fluence regime (<0.50 J/cm2) are presented. The appearance of high spatial frequency laser induced periodic surface structures is observed at a fluence near 0.25 J/cm2 and above, with variability in environments like in air, nitrogen, and a vacuum. In addition to the formation of periodic surface structures, ultrafast laser irradiation results in possible surface oxidation and amorphization of the material. Lateral conductance exhibits orders of magnitude increase, which is attributed to either surface conduction or modification of electrical contact properties, depending on the initial material conductivity. Schottky barrier formation on ultrafast laser irradiated 4H-SiC shows an increase in the barrier height, an increase in the ideality factor, and sub-bandgap photovoltaic responses, suggesting the formation of photo-active point defects. The results suggest that the ultrafast laser irradiation technique provides a means of engineering spatially localized structural and electronic modification of wide bandgap materials such as 4H-SiC with relatively low surface damage via low temperature processing.

Effect of dielectric barrier discharge treatment on surface nanostructure and wettability of polylactic acid (PLA) nonwoven fabrics

NASA Astrophysics Data System (ADS)

Ren, Yu; Xu, Lin; Wang, Chunxia; Wang, Xiaona; Ding, Zhirong; Chen, Yuyue

2017-12-01

Polylactic acid (PLA) nonwoven fabrics are treated with atmospheric dielectric barrier discharge (DBD) plasma to improve surface wettability. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) show that micro- to nano-scale textures appear on the treated PLA surfaces dependent on the treatment time. X-ray photoelectron spectroscopy (XPS) analysis reveals that the DBD plasma treatments result in decreased carbon contents and increased oxygen contents as well as slightly increased nitrogen contents. The water contact angle decreases sharply with the increase of the DBD plasma treatment time. The super hydrophilic PLA surfaces (the water contact angle reached 0°) are obtained when the treatment time is longer than 90 s. Ninety days after the DBD plasma treatment, the XPS analysis shows that Csbnd O/Csbnd N and Cdbnd O/Osbnd Cdbnd O percentages decline for all treatment groups. However, the water contact angle is kept constant at 0° for the groups treated above 90 s, which could be due to the oxidized nano-structured layer on the DBD plasma treated PLA surfaces.

Improved GaSb surfaces using a (NH4)2S/(NH4)2S04 solution

NASA Astrophysics Data System (ADS)

Murape, D. M.; Eassa, N.; Nyamhere, C.; Neethling, J. H.; Betz, R.; Coetsee, E.; Swart, H. C.; Botha, J. R.; Venter, A.

2012-05-01

Bulk (1 0 0) n-GaSb surfaces have been treated with a sulphur based solution ((NH4)2S/(NH4)2SO4) to which sulphur has been added, not previously reported for the passivation of GaSb surfaces. Au/n-GaSb Schottky barrier diodes (SBDs) fabricated on the treated material show significant improvement compared to that of the similar SBDs on the as-received material as evidenced by the lower ideality factor (n), higher barrier height (ϕb) and lower contact resistance obtained. Additionally, the reverse leakage current, although not saturating, has been reduced by almost an order of magnitude at -0.2 V. The sample surfaces were studied by scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The native oxide, Sb-O, present on the as-received material is effectively removed on treating with ([(NH4)2S/(NH4)2SO4]+S) and (NH4)2S. Analysis of the as-received surface by XPS, prior to and after argon sputtering, suggests that the native oxide layer is ≤8.5 nm.

Analysis of high reverse currents of 4H-SiC Schottky-barrier diodes

NASA Astrophysics Data System (ADS)

Okino, Hiroyuki; Kameshiro, Norifumi; Konishi, Kumiko; Shima, Akio; Yamada, Ren-ichi

2017-12-01

Nickel (Ni), titanium (Ti), and molybdenum (Mo) 4H-silicon carbide Schottky-barrier diodes (SiC SBDs) were fabricated and used to investigate the relation between forward and reverse currents. Temperature dependence of reverse current follows a theory that includes tunneling in regard to thermionic emission, namely, temperature dependence is weak at low temperature but strong at high temperatures. On the other hand, the reverse currents of the Ni and Mo SBDs are higher than their respective currents calculated from their Schottky barrier heights (SBHs), whereas the reverse current of the Ti SBD agrees well with that calculated from its SBH. The cause of the high reverse currents was investigated from the viewpoints of low barrier patch, Gaussian distribution of barrier height (GD), thin surface barrier, and electron effective mass. The high reverse current of the Ni and Mo SBDs can be explained not in terms of a low-barrier patch, GD, or thin surface barrier but in terms of small effective masses. Investigation of crystal structures at the Schottky interface revealed a large lattice mismatch between the metals (Ni, Ti, or Mo) and SiC for the Ni and Mo SBDs. The small effective mass is possibly attributed to the large lattice mismatch, which might generate transition layers at the Schottky interface. It is concluded from these results that the lattice constant as well as the work function is an important factor in selecting the metal species as the Schottky metal for wide band-gap SBDs, for which tunneling current dominates reverse current.

Stacking the Deck: Leveraging Surface Interactions to Tune Interfacial Electronic Structure

NASA Astrophysics Data System (ADS)

Maughan, Bret; Eads, Calley; Zahl, Percy; Sutter, Peter; Monti, Oliver

We present results from a series of experiments aimed at understanding and controlling molecular interactions in phthalocyanine (Pc) thin-films on Cu(110) to tailor the interfacial electronic structure. Using low-temperature scanning tunneling microscopy (LT-STM), we identify interactions that drive surface-molecule coupling, molecular self-assembly and thin-film order. We provide evidence that interactions with native Cu adatoms play a pivotal role in self-assembly of Pc systems, along with anisotropic nanoribbon growth dynamics, supported by an agent-based kinetic Monte Carlo (AB-KMC) simulation. We show further that self-assembled nanoribbon length can be controlled using surface diffusion barriers and that ordered 2D thin-film growth is promoted by diminishing surface-molecule interactions that otherwise dominate native Cu(110) interfaces. Altogether, this detailed structural understanding allows us to interpret interfacial electronic structure and dynamics, uncovered through ultraviolet (UPS) and two-photon photoemission (2PPE) spectroscopy experiments, in molecular configuration-specific detail. In all, our understanding of interfacial processes guides strategic modifications to both surface and molecule to harness interfacial interactions and thereby modify the collective electronic structure of the interface. NSF No. CHE-1213243 and No. CHE-1565497, Arizona TRIF, DOE/BNL Cntrct No. DE-SC0012704, and DOE No. DE-SC0016343.

High Performance 50 nm InAlAs/In0.75GaAs Metamorphic High Electron Mobility Transistors with Si3N4 Passivation on Thin InGaAs Layer

NASA Astrophysics Data System (ADS)

Yeon, Seongjin; Seo, Kwangseok

2008-04-01

We fabricated 50 nm InAlAs/InGaAs metamorphic high electron mobility transistors (HEMTs) with a very thin barrier. Through the reduction of the gate-channel distance (dGC) in the epitaxial structure, a channel aspect ratio (ARC) of over three was achieved when Lg was 50 nm. We inserted a thin InGaAs layer as a protective layer, and tested various gate structures to reduce surface problems induced by barrier shrinkage and to optimize the device characteristics. Through the optimization of the gate structure with the thin InGaAs layer, the fabricated 50 nm metamorphic HEMT exhibited high DC and RF characteristics, Gm of 1.5 S/mm, and fT of 490 GHz.

Random sized plasmonic nanoantennas on Silicon for low-cost broad-band near-infrared photodetection

PubMed Central

Nazirzadeh, Mohammad Amin; Atar, Fatih Bilge; Turgut, Berk Berkan; Okyay, Ali Kemal

2014-01-01

In this work, we propose Silicon based broad-band near infrared Schottky barrier photodetectors. The devices operate beyond 1200 nm wavelength and exhibit photoresponsivity values as high as 3.5 mA/W with a low dark current density of about 50 pA/µm2. We make use of Au nanoislands on Silicon surface formed by rapid thermal annealing of a thin Au layer. Surface plasmons are excited on Au nanoislands and this field localization results in efficient absorption of sub-bandgap photons. Absorbed photons excite the electrons of the metal to higher energy levels (hot electron generation) and the collection of these hot electrons to the semiconductor results in photocurrent (internal photoemission). Simple and scalable fabrication makes these devices suitable for ultra-low-cost NIR detection applications. PMID:25407509

Effects of plasma pretreatment on the process of self-forming Cu-Mn alloy barriers for Cu interconnects

NASA Astrophysics Data System (ADS)

Park, Jae-Hyung; Han, Dong-Suk; Kim, Kyoung-Deok; Park, Jong-Wan

2018-02-01

This study investigated the effect of plasma pretreatment on the process of a self-forming Cu-Mn alloy barrier on porous low-k dielectrics. To study the effects of plasma on the performance of a self-formed Mn-based barrier, low-k dielectrics were pretreated with H2 plasma or NH3 plasma. Cu-Mn alloy materials on low-k substrates that were subject to pretreatment with H2 plasma exhibited lower electrical resistivity values and the formation of thicker Mn-based interlayers than those on low-k substrates that were subject to pretreatment with NH3 plasma. Transmission electron microscopy (TEM), X-ray photoemission spectroscopy (XPS), and thermal stability analyses demonstrated the exceptional performance of the Mn-based interlayer on plasma-pretreated low-k substrates with regard to thickness, chemical composition, and reliability. Plasma treating with H2 gas formed hydrophilic Si-OH bonds on the surface of the low-k layer, resulting in Mn-based interlayers with greater thickness after annealing. However, additional moisture uptake was induced on the surface of the low-k dielectric, degrading electrical reliability. By contrast, plasma treating with NH3 gas was less effective with regard to forming a Mn-based interlayer, but produced a Si-N/C-N layer on the low-k surface, yielding improved barrier characteristics.

Anomalous Seebeck coefficient observed in silicon nanowire micro thermoelectric generator

NASA Astrophysics Data System (ADS)

Hashimoto, S.; Asada, S.; Xu, T.; Oba, S.; Himeda, Y.; Yamato, R.; Matsukawa, T.; Matsuki, T.; Watanabe, T.

2017-07-01

We have found experimentally an anomalous thermoelectric characteristic of an n-type Si nanowire micro thermoelectric generator (μTEG). The μTEG is fabricated on a silicon-on-insulator wafer by electron beam lithography and dry etching, and its surface is covered with a thermally grown silicon dioxide film. The observed thermoelectric current is opposite to what is expected from the Seebeck coefficient of n-type Si. The result is understandable by considering a potential barrier in the nanowire. Upon the application of the temperature gradient across the nanowire, the potential barrier impedes the diffusion of thermally activated majority carriers into the nanowire, and it rather stimulates the injection of thermally generated minority carriers. The most plausible origin of the potential barrier is negative charges trapped at the interface between the Si nanowire and the oxide film. We practically confirmed that the normal Seebeck coefficient of the n-type Si nanowire is recovered after the hydrogen forming gas annealing. This implies that the interface traps are diminished by the hydrogen termination of bonding defects. The present results show the importance of the surface inactivation treatment of μTEGs to suppress the potential barrier and unfavorable contribution of minority carriers.

Modeling electron emission and surface effects from diamond cathodes

DOE PAGES

Dimitrov, D. A.; Smithe, D.; Cary, J. R.; ...

2015-02-05

We developed modeling capabilities, within the Vorpal particle-in-cell code, for three-dimensional (3D) simulations of surface effects and electron emission from semiconductor photocathodes. They include calculation of emission probabilities using general, piece-wise continuous, space-time dependent surface potentials, effective mass and band bending field effects. We applied these models, in combination with previously implemented capabilities for modeling charge generation and transport in diamond, to investigate the emission dependence on applied electric field in the range from approximately 2 MV/m to 17 MV/m along the [100] direction. The simulation results were compared to experimental data. For the considered parameter regime, conservation of transversemore » electron momentum (in the plane of the emission surface) allows direct emission from only two (parallel to [100]) of the six equivalent lowest conduction band valleys. When the electron affinity χ is the only parameter varied in the simulations, the value χ = 0.31 eV leads to overall qualitative agreement with the probability of emission deduced from experiments. Including band bending in the simulations improves the agreement with the experimental data, particularly at low applied fields, but not significantly. In this study, using surface potentials with different profiles further allows us to investigate the emission as a function of potential barrier height, width, and vacuum level position. However, adding surface patches with different levels of hydrogenation, modeled with position-dependent electron affinity, leads to the closest agreement with the experimental data.« less

Epicuticular wax on cherry laurel (Prunus laurocerasus) leaves does not constitute the cuticular transpiration barrier.

PubMed

Zeisler, Viktoria; Schreiber, Lukas

2016-01-01

Epicuticular wax of cherry laurel does not contribute to the formation of the cuticular transpiration barrier, which must be established by intracuticular wax. Barrier properties of cuticles are established by cuticular wax deposited on the outer surface of the cuticle (epicuticular wax) and in the cutin polymer (intracuticular wax). It is still an open question to what extent epi- and/or intracuticular waxes contribute to the formation of the transpiration barrier. Epicuticular wax was mechanically removed from the surfaces of isolated cuticles and intact leaf disks of cherry laurel (Prunus laurocerasus L.) by stripping with different polymers (collodion, cellulose acetate and gum arabic). Scanning electron microscopy showed that two consecutive treatments with all three polymers were sufficient to completely remove epicuticular wax since wax platelets disappeared and cuticle surfaces appeared smooth. Waxes in consecutive polymer strips and wax remaining in the cuticle after treatment with the polymers were determined by gas chromatography. This confirmed that two treatments of the polymers were sufficient for selectively removing epicuticular wax. Water permeability of isolated cuticles and cuticles covering intact leaf disks was measured using (3)H-labelled water before and after selectively removing epicuticular wax. Cellulose acetate and its solvent acetone led to a significant increase of cuticular permeability, indicating that the organic solvent acetone affected the cuticular transpiration barrier. However, permeability did not change after two subsequent treatments with collodion and gum arabic or after treatment with the corresponding solvents (diethyl ether:ethanol or water). Thus, in the case of P. laurocerasus the epicuticular wax does not significantly contribute to the formation of the cuticular transpiration barrier, which evidently must be established by the intracuticular wax.

Robust, functional nanocrystal solids by infilling with atomic layer deposition.

PubMed

Liu, Yao; Gibbs, Markelle; Perkins, Craig L; Tolentino, Jason; Zarghami, Mohammad H; Bustamante, Jorge; Law, Matt

2011-12-14

Thin films of colloidal semiconductor nanocrystals (NCs) are inherently metatstable materials prone to oxidative and photothermal degradation driven by their large surface-to-volume ratios and high surface energies. (1) The fabrication of practical electronic devices based on NC solids hinges on preventing oxidation, surface diffusion, ripening, sintering, and other unwanted physicochemical changes that can plague these materials. Here we use low-temperature atomic layer deposition (ALD) to infill conductive PbSe NC solids with metal oxides to produce inorganic nanocomposites in which the NCs are locked in place and protected against oxidative and photothermal damage. Infilling NC field-effect transistors and solar cells with amorphous alumina yields devices that operate with enhanced and stable performance for at least months in air. Furthermore, ALD infilling with ZnO lowers the height of the inter-NC tunnel barrier for electron transport, yielding PbSe NC films with electron mobilities of 1 cm2 V(-1) s(-1). Our ALD technique is a versatile means to fabricate robust NC solids for optoelectronic devices.

Electronically controlled rejections of spoof surface plasmons polaritons

NASA Astrophysics Data System (ADS)

Zhou, Yong Jin; Xiao, Qian Xun

2017-03-01

We have proposed and experimentally demonstrated a band-notched surface plasmonic filter, which is composed of an ultra-wide passband plasmonic filter with a simple C-shaped ring on the back of the substrate. Enhanced narrowband or broadband rejections of spoof surface plasmon polaritons (SPPs) can be achieved with double C-shaped rings in the propagation or transverse direction. By mounting active components across the slit cut in the C-shaped ring, dynamic control of rejection of spoof SPPs can be accomplished. Both the rejection of spoof SPPs and the rejection bandwidth can be controlled when the Schottky barrier diode is forward-biased or reverse-biased. The frequency spectrum of the rejection band can be electronically adjusted by tuning the applied bias voltage across the varactor diode. Both simulated and measured results agree well and demonstrate dynamic control of propagation of spoof SPPs at the microwave frequencies. Such electronically controllable devices could find more applications in advanced plasmonic integrated functional circuits in microwave and terahertz frequencies.

Field enhancement in plasmonic nanostructures

NASA Astrophysics Data System (ADS)

Piltan, Shiva; Sievenpiper, Dan

2018-05-01

Efficient generation of charge carriers from a metallic surface is a critical challenge in a wide variety of applications including vacuum microelectronics and photo-electrochemical devices. Replacing semiconductors with vacuum/gas as the medium of electron transport offers superior speed, power, and robustness to radiation and temperature. We propose a metallic resonant surface combining optical and electrical excitations of electrons and significantly reducing powers required using plasmon-induced enhancement of confined electric field. The properties of the device are modeled using the exact solution of the time-dependent Schrödinger equation at the barrier. Measurement results exhibit strong agreement with an analytical solution, and allow us to extract the field enhancement factor at the surface. Significant photocurrents are observed using combination of {{W}} {{{c}}{{m}}}-2 optical power and 10 V DC excitation on the surface. The model suggests optical field enhancement of 3 orders of magnitude at the metal interface due to plasmonic resonance. This simple planar structure provides valuable evidence on the electron emission mechanisms involved and it can be used for implementation of semiconductor compatible vacuum devices.

Impact of GaN cap on charges in Al₂O₃/(GaN/)AlGaN/GaN metal-oxide-semiconductor heterostructures analyzed by means of capacitance measurements and simulations

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

Ťapajna, M., E-mail: milan.tapajna@savba.sk; Jurkovič, M.; Válik, L.

2014-09-14

Oxide/semiconductor interface trap density (D{sub it}) and net charge of Al₂O₃/(GaN)/AlGaN/GaN metal-oxide-semiconductor high-electron mobility transistor (MOS-HEMT) structures with and without GaN cap were comparatively analyzed using comprehensive capacitance measurements and simulations. D{sub it} distribution was determined in full band gap of the barrier using combination of three complementary capacitance techniques. A remarkably higher D{sub it} (∼5–8 × 10¹²eV⁻¹ cm⁻²) was found at trap energies ranging from E C-0.5 to 1 eV for structure with GaN cap compared to that (D{sub it} ∼ 2–3 × 10¹²eV⁻¹ cm⁻²) where the GaN cap was selectively etched away. D{sub it} distributions were then used for simulation of capacitance-voltage characteristics. A good agreement betweenmore » experimental and simulated capacitance-voltage characteristics affected by interface traps suggests (i) that very high D{sub it} (>10¹³eV⁻¹ cm⁻²) close to the barrier conduction band edge hampers accumulation of free electron in the barrier layer and (ii) the higher D{sub it} centered about E C-0.6 eV can solely account for the increased C-V hysteresis observed for MOS-HEMT structure with GaN cap. Analysis of the threshold voltage dependence on Al₂O₃ thickness for both MOS-HEMT structures suggests that (i) positive charge, which compensates the surface polarization, is not necessarily formed during the growth of III-N heterostructure, and (ii) its density is similar to the total surface polarization charge of the GaN/AlGaN barrier, rather than surface polarization of the top GaN layer only. Some constraints for the positive surface compensating charge are discussed.« less

Photon-induced selenium migration in TiSe 2

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

Lioi, David B.; Gosztola, David J.; Wiederrecht, Gary P.

2017-02-20

TiSe 2 is a member of the transition metal dichalcogenide family of layered van der Waals materials which exhibits some distinct electronic and optical properties. Here, we perform Raman spectroscopy and microscopy studies on single crystal TiSe 2 to investigate thermal and photon-induced defects associated with diffusion of selenium to the surface. Additional phonon peaks near 250 cm -1 are observed in the laser- irradiated regions that are consistent with formation of amorphous and nanocrys- talline selenium on the surface. Temperature dependent studies of the threshold temperature and laser intensity necessary to initiate selenium migration to the surface show anmore » activation barrier for the process of 1.55 eV. The impact of these results on the properties of strongly correlated electron states in TiSe 2 are discussed« less

Trigonal warping induced unusual spin texture and strong spin polarization in graphene with the Rashba effect

NASA Astrophysics Data System (ADS)

Ma, Da-Shuai; Yu, Zhi-Ming; Pan, Hui; Yao, Yugui

2018-02-01

We study the electronic and scattering properties of graphene with moderate Rashba spin-orbit coupling (SOC). The Rashba SOC in graphene tends to distort the band structure and gives rise to a trigonally warped Fermi surface. For electrons at a pronouncedly warped Fermi surface, the spin direction exhibits a staircase profile as a function of the momentum, making an unusual spin texture. We also study the spin-resolved scattering on a Rashba barrier and find that the trigonal warping is essential for producing spin polarization of the transmitted current. Particularly, both the direction and strength of the spin polarization can be controlled by kinds of electric methods. Our work unveils that not only SOC but also the geometry of the Fermi surface is important for generating spin polarization.

Interfacial Chemistry-Induced Modulation of Schottky Barrier Heights: In Situ Measurements of the Pt-Amorphous Indium Gallium Zinc Oxide Interface Using X-ray Photoelectron Spectroscopy

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

Flynn, Brendan T.; Oleksak, Richard P.; Thevuthasan, Suntharampillai

A method to modulate the Schottky barrier heights for platinum and amorphous indium gallium zinc oxide (a-IGZO) interfaces is demonstrated through thermal processing and background ambient pressure control. The interfacial chemistries that modulate barrier heights for the Pt/a-IGZO system were investigated using in-situ X-ray photoelectron spectroscopy. A significant reduction of indium, from In3+ to In0, occurs during deposition of Pt on to the a-IGZO surface in ultra-high vacuum. Post-annealing and controlling the background ambient O2 pressure allows tuning the degree of indium reduction and the corresponding Schottky barrier height between 0.17 to 0.77 eV. Understanding the detailed interfacial chemistries atmore » Pt/a-IGZO interfaces may allow for improved electronic device performance, including Schottky diodes, memristors, and metalsemiconductor field-effect transistors.« less

Interfacial Chemistry-Induced Modulation of Schottky Barrier Heights: In Situ Measurements of the Pt–Amorphous Indium Gallium Zinc Oxide Interface Using X-ray Photoelectron Spectroscopy

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

Flynn, Brendan T.; Oleksak, Richard P.; Thevuthasan, Suntharampillai

A method to modulate the Schottky barrier heights for platinum and amorphous indium gallium zinc oxide (a-IGZO) interfaces is demonstrated through thermal processing and background ambient pressure control. The interfacial chemistries that modulate barrier heights for the Pt/a-IGZO system were investigated using in-situ X-ray photoelectron spectroscopy. A significant reduction of indium, from In 3+ to In 0, occurs during deposition of Pt on to the a-IGZO surface in ultra-high vacuum. Post-annealing and controlling the background ambient O 2 pressure allows tuning the degree of indium reduction and the corresponding Schottky barrier height between 0.17 to 0.77 eV. Understanding the detailedmore » interfacial chemistries at Pt/a-IGZO interfaces may allow for improved electronic device performance, including Schottky diodes, memristors, and metalsemiconductor field-effect transistors.« less

Vented Cavity Radiant Barrier Assembly And Method

DOEpatents

Dinwoodie, Thomas L.; Jackaway, Adam D.

2000-05-16

A vented cavity radiant barrier assembly (2) includes a barrier (12), typically a PV module, having inner and outer surfaces (18, 22). A support assembly (14) is secured to the barrier and extends inwardly from the inner surface of the barrier to a building surface (14) creating a vented cavity (24) between the building surface and the barrier inner surface. A low emissivity element (20) is mounted at or between the building surface and the barrier inner surface. At least part of the cavity exit (30) is higher than the cavity entrance (28) to promote cooling air flow through the cavity.

Control of ITBs in Fusion Self-Heated Plasmas

NASA Astrophysics Data System (ADS)

Panta, Soma; Newman, David; Terry, Paul; Sanchez, Raul

2015-11-01

Simple dynamical models have been able to capture a remarkable amount of the dynamics of the transport barriers found in many devices, including the often disconnected nature of the electron thermal transport channel sometimes observed in the presence of a standard (``ion channel'') barrier. By including in this rich though simple dynamic transport model an evolution equation for electron fluctuations we have previously investigated the interaction between the formation of the standard ion channel barrier and the somewhat less common electron channel barrier. The electron channel formation and evolution is even more sensitive to the alignment of the various gradients making up the sheared radial electric field then the ion barrier is. Because of this sensitivity and coupling of the barrier dynamics, the dynamic evolution of the fusion self-heating profile can have a significant impact on the barrier location and dynamics. To investigate this, self-heating has been added this model and the impact of the self-heating on the formation and controllability of the various barriers is explored. It has been found that the evolution of the heating profiles can suppress or collapse the electron channel barrier. NBI and RF schemes will be investigated for profile/barrier control.

Complementary barrier infrared detector (CBIRD)

NASA Technical Reports Server (NTRS)

Ting, David Z. (Inventor); Bandara, Sumith V. (Inventor); Hill, Cory J. (Inventor); Gunapala, Sarath D. (Inventor)

2013-01-01

An infrared detector having a hole barrier region adjacent to one side of an absorber region, an electron barrier region adjacent to the other side of the absorber region, and a semiconductor adjacent to the electron barrier.

Significant improvement in the electrical characteristics of Schottky barrier diodes on molecularly modified Gallium Nitride surfaces

NASA Astrophysics Data System (ADS)

Garg, Manjari; Naik, Tejas R.; Pathak, C. S.; Nagarajan, S.; Rao, V. Ramgopal; Singh, R.

2018-04-01

III-Nitride semiconductors face the issue of localized surface states, which causes fermi level pinning and large leakage current at the metal semiconductor interface, thereby degrading the device performance. In this work, we have demonstrated the use of a Self-Assembled Monolayer (SAM) of organic molecules to improve the electrical characteristics of Schottky barrier diodes (SBDs) on n-type Gallium Nitride (n-GaN) epitaxial films. The electrical characteristics of diodes were improved by adsorption of SAM of hydroxyl-phenyl metallated porphyrin organic molecules (Zn-TPPOH) onto the surface of n-GaN. SAM-semiconductor bonding via native oxide on the n-GaN surface was confirmed using X-ray photoelectron spectroscopy measurements. Surface morphology and surface electronic properties were characterized using atomic force microscopy and Kelvin probe force microscopy. Current-voltage characteristics of different metal (Cu, Ni) SBDs on bare n-GaN were compared with those of Cu/Zn-TPPOH/n-GaN and Ni/Zn-TPPOH/n-GaN SBDs. It was found that due to the molecular monolayer, the surface potential of n-GaN was decreased by ˜350 mV. This caused an increase in the Schottky barrier height of Cu and Ni SBDs from 1.13 eV to 1.38 eV and 1.07 eV to 1.22 eV, respectively. In addition to this, the reverse bias leakage current was reduced by 3-4 orders of magnitude for both Cu and Ni SBDs. Such a significant improvement in the electrical performance of the diodes can be very useful for better device functioning.

On the role of electronic friction for dissociative adsorption and scattering of hydrogen molecules at a Ru(0001) surface.

PubMed

Füchsel, Gernot; Schimka, Selina; Saalfrank, Peter

2013-09-12

The role of electronic friction and, more generally, of nonadiabatic effects during dynamical processes at the gas/metal surface interface is still a matter of discussion. In particular, it is not clear if electronic nonadiabaticity has an effect under "mild" conditions, when molecules in low rovibrational states interact with a metal surface. In this paper, we investigate the role of electronic friction on the dissociative sticking and (inelastic) scattering of vibrationally and rotationally cold H2 molecules at a Ru(0001) surface theoretically. For this purpose, classical molecular dynamics with electronic friction (MDEF) calculations are performed and compared to MD simulations without friction. The two H atoms move on a six-dimensional potential energy surface generated from gradient-corrected density functional theory (DFT), that is, all molecular degrees of freedom are accounted for. Electronic friction is included via atomic friction coefficients obtained from an embedded atom, free electron gas (FEG) model, with embedding densities taken from gradient-corrected DFT. We find that within this model, dissociative sticking probabilities as a function of impact kinetic energies and impact angles are hardly affected by nonadiabatic effects. If one accounts for a possibly enhanced electronic friction near the dissociation barrier, on the other hand, reduced sticking probabilities are observed, in particular, at high impact energies. Further, there is always an influence on inelastic scattering, in particular, as far as the translational and internal energy distribution of the reflected molecules is concerned. Additionally, our results shed light on the role played by the velocity distribution of the incident molecular beam for adsorption probabilities, where, in particular, at higher impact energies, large effects are found.

Implementation of a Non-Metallic Barrier in an Electric Motor

NASA Technical Reports Server (NTRS)

M'Sadoques, George A. (Inventor); Carra, Michael R. (Inventor); Beringer, Durwood M. (Inventor)

2013-01-01

A motor for use in a volatile environment includes a rotor exposed to the volatile environment, electronics for rotating the rotor, an impervious ceramic barrier separating the electronics and the rotor, and a flexible seal for preventing the volatile environment from contacting the electronics and for minimizing vibratory and twisting loads upon the barrier to minimize damage to the barrier.

Identifying barriers to charge-carriers in the bulk and surface regions of Cu2ZnSnS4 nanocrystal films by x-ray absorption fine structures (XAFSs)

NASA Astrophysics Data System (ADS)

Turnbull, Matthew J.; Vaccarello, Daniel; Yiu, Yun Mui; Sham, Tsun-Kong; Ding, Zhifeng

2016-11-01

Solar cell performance is most affected by the quality of the light absorber layer. For thin-film devices, this becomes a two-fold problem of maintaining a low-cost design with well-ordered nanocrystal (NC) structure. The use of Cu2ZnSnS4 (CZTS) NCs as the light absorber films forms an ideal low-cost design, but the quaternary structure makes it difficult to maintain a well-ordered layer without the use of high-temperature treatments. There is little understanding of how CZTS NC structures affect the photoconversion efficiency, the charge-carriers, and therefore the performance of the device manufactured from it. To examine these relationships, the measured photoresponse from the photo-generation of charge-carrier electron-hole pairs was compared against the crystal structure, as short-range and long-range crystal orders for the films. The photoresponse simplifies the electronic properties into three basic steps that can be associated with changes in energy levels within the band structure. These changes result in the formation of barriers to charge-carrier flow. The extent of these barriers was determined using synchrotron-based X-ray absorbance fine structure to probe the individual metal centers in the film, and comparing these to molecular simulations of the ideal extended x-ray absorbance fine structure scattering. This allowed for the quantification of bond lengths, and thus an interpretation of the distortions in the crystal lattice. The various characteristics of the photoresponse were then correlated to the crystallographic order and used to gain physical insight into barriers to charge-carriers in the bulk and surface regions of CZTS films.

Electronic health records: what are the most important barriers?

PubMed

Ayatollahi, Haleh; Mirani, Nader; Haghani, Hamid

2014-01-01

The process of design and adoption of electronic health records may face a number of barriers. This study aimed to compare the importance of the main barriers from the experts' point of views in Iran. This survey study was completed in 2011. The potential participants (62 experts) included faculty members who worked in departments of health information technology and individuals who worked in the Ministry of Health in Iran and were in charge of the development and adoption of electronic health records. No sampling method was used in this study. Data were collected using a Likert-scale questionnaire ranging from 1 to 5. The validity of the questionnaire was established using content and face validity methods, and the reliability was calculated using Cronbach's alpha coefficient. The response rate was 51.6 percent. The participants' perspectives showed that the most important barriers in the process of design and adoption of electronic health records were technical barriers (mean = 3.84). Financial and ethical-legal barriers, with the mean value of 3.80 were other important barriers, and individual and organizational barriers, with the mean values of 3.59 and 3.50 were found to be less important than other barriers from the experts' perspectives. Strategic planning for the creation and adoption of electronic health records in the country, creating a team of experts to assess the potential barriers and develop strategies to eliminate them, and allocating financial resources can help to overcome most important barriers to the adoption of electronic health records.

Effects of hydrogen treatment on ohmic contacts to p-type GaN films

NASA Astrophysics Data System (ADS)

Huang, Bohr-Ran; Chou, Chia-Hui; Ke, Wen-Cheng; Chou, Yi-Lun; Tsai, Chia-Lung; Wu, Meng-chyi

2011-06-01

This study investigated the effects of hydrogen (H 2) treatment on metal contacts to Mg-doped p-GaN films by Hall-effect measurement, current-voltage ( I- V) analyzer and X-ray photoemission spectra (XPS). The interfacial oxide layer on the p-GaN surface was found to be the main reason for causing the nonlinear I- V behavior of the untreated p-GaN films. The increased nitrogen vacancy (V N) density due to increased GaN decomposition rate at high-temperature hydrogen treatment is believed to form high density surface states on the surface of p-GaN films. Compared to untreated p-GaN films, the surface Fermi level determined by the Ga 2p core-level peak on 1000 °C H 2-treated p-GaN films lies about ˜2.1 eV closer to the conduction band edge (i.e., the surface inverted to n-type behavior). The reduction in barrier height due to the high surface state density pinned the surface Fermi level close to the conduction band edge, and allowed the electrons to easily flow over the barrier from the metal into the p-GaN films. Thus, a good ohmic contact was achieved on the p-GaN films by the surface inversion method.

Elastically frustrated rehybridization: Origin of chemical order and compositional limits in InGaN quantum wells

NASA Astrophysics Data System (ADS)

Lymperakis, L.; Schulz, T.; Freysoldt, C.; Anikeeva, M.; Chen, Z.; Zheng, X.; Shen, B.; Chèze, C.; Siekacz, M.; Wang, X. Q.; Albrecht, M.; Neugebauer, J.

2018-01-01

Nominal InN monolayers grown by molecular beam epitaxy on GaN(0001) are investigated combining in situ reflection high-energy electron diffraction (RHEED), transmission electron microscopy (TEM), and density functional theory (DFT). TEM reveals a chemical intraplane ordering never observed before. Employing DFT, we identify a novel surface stabilization mechanism elastically frustrated rehybridization, which is responsible for the observed chemical ordering. The mechanism also sets an incorporation barrier for indium concentrations above 25% and thus fundamentally limits the indium content in coherently strained layers.

X-ray diffraction and reflectivity validation of the depletion attraction in the competitive adsorption of lung surfactant and albumin.

PubMed

Stenger, Patrick C; Wu, Guohui; Miller, Chad E; Chi, Eva Y; Frey, Shelli L; Lee, Ka Yee C; Majewski, Jaroslaw; Kjaer, Kristian; Zasadzinski, Joseph A

2009-08-05

Lung surfactant (LS) and albumin compete for the air-water interface when both are present in solution. Equilibrium favors LS because it has a lower equilibrium surface pressure, but the smaller albumin is kinetically favored by faster diffusion. Albumin at the interface creates an energy barrier to subsequent LS adsorption that can be overcome by the depletion attraction induced by polyethylene glycol (PEG) in solution. A combination of grazing incidence x-ray diffraction (GIXD), x-ray reflectivity (XR), and pressure-area isotherms provides molecular-resolution information on the location and configuration of LS, albumin, and polymer. XR shows an average electron density similar to that of albumin at low surface pressures, whereas GIXD shows a heterogeneous interface with coexisting LS and albumin domains at higher surface pressures. Albumin induces a slightly larger lattice spacing and greater molecular tilt, similar in effect to a small decrease in the surface pressure. XR shows that adding PEG to the LS-albumin subphase restores the characteristic LS electron density profile at the interface, and confirms that PEG is depleted near the interface. GIXD shows the same LS Bragg peaks and Bragg rods as on a pristine interface, but with a more compact lattice corresponding to a small increase in the surface pressure. These results confirm that albumin adsorption creates a physical barrier that inhibits LS adsorption, and that PEG in the subphase generates a depletion attraction between the LS aggregates and the interface that enhances LS adsorption without substantially altering the structure or properties of the LS monolayer.

Molecular structures and intramolecular dynamics of pentahalides

NASA Astrophysics Data System (ADS)

Ischenko, A. A.

2017-03-01

This paper reviews advances of modern gas electron diffraction (GED) method combined with high-resolution spectroscopy and quantum chemical calculations in studies of the impact of intramolecular dynamics in free molecules of pentahalides. Some recently developed approaches to the electron diffraction data interpretation, based on direct incorporation of the adiabatic potential energy surface parameters to the diffraction intensity are described. In this way, complementary data of different experimental and computational methods can be directly combined for solving problems of the molecular structure and its dynamics. The possibility to evaluate some important parameters of the adiabatic potential energy surface - barriers to pseudorotation and saddle point of intermediate configuration from diffraction intensities in solving the inverse GED problem is demonstrated on several examples. With increasing accuracy of the electron diffraction intensities and the development of the theoretical background of electron scattering and data interpretation, it has become possible to investigate complex nuclear dynamics in fluxional systems by the GED method. Results of other research groups are also included in the discussion.

Transparent conductive coatings

NASA Technical Reports Server (NTRS)

Ashok, S.

1983-01-01

Thin film transparent conductors are discussed. Materials with electrical conductivity and optical transparency are highly desirable in many optoelectronic applications including photovoltaics. Certain binary oxide semiconductors such as tin oxide (SnO2) and indium oxide (In2O3) offer much better performance tradeoff in optoelectronics as well as better mechanical and chemical stability than thin semitransparent films. These thin-film transparent conductors (TC) are essentially wide-bandgap degenerate semiconductors - invariably n-type - and hence are transparent to sub-bandgap (visible) radiation while affording high electrical conductivity due to the large free electron concentration. The principal performance characteristics of TC's are, of course, electrical conductivity and optical transmission. The TC's have a refractive index of around 2.0 and hence act as very efficient antireflection coatings. For using TC's in surface barrier solar cells, the photovoltaic barrier is of utmost importance and so the work function or electron affinity of the TC is also a very important material parameter. Fabrication processes are discussed.

Novel perovskite coating of strontium zirconate in Inconel substrate

NASA Astrophysics Data System (ADS)

Venkatesh, G.; Blessto, B.; Rao, C. Santhosh Kumar; Subramanian, R.; Berchmans, L. John

2018-02-01

Thermal Barrier Coatings (TBC) provides a low thermal conductivity barrier to heat transfer from the hot gas in the engine to the surface of the coated alloy component. SrZrO3 powder are prepared by Sol Gel synthesis method. The synthesized powder sample is characterized by X Ray Diffraction Technique (XRD), Scanning Electron Microscope (SEM) and Transmission Electron Microscope (TEM) and the results are interpreted. The Polycrystalline nature of SrZrO3 is confirmed and lattice spacing are determined in XRD. SEM shows sub-micron sized particles and a fringed pattern is observed in TEM. The IN718 specimen is Wire Cut and Sand Blasted. A SrZrO3 double layer is coated over the Inconel specimen through a Bond Coat made of NiCoCrAlY by Plasma spraying Process and also characterized. SEM analysis of the Coating shows diffusion of Fe, Sr into the substrate.

Modeling the Impenetrable Barrier to Inward Transport of Ultra-relativistic Radiation Belt Electrons

NASA Astrophysics Data System (ADS)

Tu, W.; Cunningham, G.; Chen, Y.; Baker, D. N.; Henderson, M. G.; Reeves, G. D.

2014-12-01

It has long been considered that the inner edge of the Earth's outer radiation belt is closely correlated with the minimum plasmapause location. However, recent discoveries by Baker et al. [1] show that it is not the case for ultra-relativistic electrons (2-10 MeV) in the radiation belt. Based on almost two years of Van Allen Probes/REPT data, they find that the inner edge of highly relativistic electrons is rarely collocated with the plasmapause; and more interestingly, there is a clear, persistent, and nearly impenetrable barrier to inward transport of high energy electrons, observed to locate at L~2.8. The presence of such an impenetrable barrier at this very specific location poses a significant puzzle. Using our DREAM3D diffusion model, which includes radial, pitch angle, and momentum diffusion, we are able to simulate the observed impenetrable barrier of ultra-relativistic electrons. The simulation demonstrates that during strong geomagnetic storms the plasmapause can be compressed to very low L region (sometimes as low as L~3), then strong chorus waves just outside the plasmapause can locally accelerate electrons up to multiple-MeV; when storm recovers, plasmapause moves back to large L, while the highly-relativistic electrons generated at low L continue to diffuse inward and slow decay by pitch angle diffusion from plasmaspheric hiss. The delicate balance between slow inward radial diffusion and weak pitch angle scattering creates a fixed inner boundary or barrier for ultra-relativistic electrons. The barrier is found to locate at a fixed L location, independent of the initial penetration depth of electrons that is correlated with the plasmapause location. Our simulation results quantitatively reproduce the evolution of the flux versus L profile, the L location of the barrier, and the decay rate of highly energetic electrons right outside the barrier. 1Baker, D. N., et al. (2014), Nearly Impenetrable Barrier to Inward Ultra-relativistic Magnetospheric Electron Transport, submitted to Nature.

Transparent oxygen and water vapor barriers for flexible electronics using semi-crystalline polymer matrix thin films

NASA Astrophysics Data System (ADS)

Sehgal, Akhil

Electronic components such as organic light emitting diodes (OLED) and photo-voltaics have been of more focus with the advancement of technology. These electronics are susceptible to degradable in the presence of gases such as water vapor and oxygen. Being that these gases are constituents of the atmosphere and can be found in nearly every environment, certain protocols must take place to mitigate the issues that occur. New generation electronics are sensitive to oxidation and corrosion in the presence of extremely low concentrations of moisture and oxygen and therefore the development and improvements of gas barriers are vital for advancements in electronics technology. The improvements of appliances such as flexible solar cells and OLEDs require barriers that need to be flexible in order to achieve high longevity. The area of research has been focused on designing flexible polymer films with composite nanoparticles and cross-linking agents that have low permeability to moisture and oxygen gas. The polymers studied are in the family of methacrylates. Due to the properties of methacrylate polymers, it has been proposed that they are capable of having efficient barrier properties due to their ability to cross link and form crystalline structures with low chain mobility. The change in intensities of the FTIR peaks of different functional groups indicates the cross-linking and crystallinity of the polymer films. The UV-Vis data indicates high transparency of the films. SEM images of the films show continuous and well cured surfaces with minimal deviations, pores and defects. The addition of cross-linking agents and nanoparticles increased polymerization and cross-linking of the methacrylate polymer chains, therefore increasing inter-chain density and long range order. The incorporation of these additives increased the crystallinity of the films and by decreasing the distances and number of voids between polymer chains along with having minimal sorption sites for gases to bond to, the ability of gases such as moisture and oxygen to penetrate through the films has decreased.

Resonant tunneling through electronic trapping states in thin MgO magnetic junctions.

PubMed

Teixeira, J M; Ventura, J; Araujo, J P; Sousa, J B; Wisniowski, P; Cardoso, S; Freitas, P P

2011-05-13

We report an inelastic electron tunneling spectroscopy study on MgO magnetic junctions with thin barriers (0.85-1.35 nm). Inelastic electron tunneling spectroscopy reveals resonant electronic trapping within the barrier for voltages V>0.15  V. These trapping features are associated with defects in the barrier crystalline structure, as confirmed by high-resolution transmission electron microscopy. Such defects are responsible for resonant tunneling due to energy levels that are formed in the barrier. A model was applied to determine the average location and energy level of the traps, indicating that they are mostly located in the middle of the MgO barrier, in accordance with the high-resolution transmission electron microscopy data and trap-assisted tunneling conductance theory. Evidence of the influence of trapping on the voltage dependence of tunnel magnetoresistance is shown.

The Particle inside a Ring: A Two-Dimensional Quantum Problem Visualized by Scanning Tunneling Microscopy

ERIC Educational Resources Information Center

Ellison, Mark D.

2008-01-01

The one-dimensional particle-in-a-box model used to introduce quantum mechanics to students suffers from a tenuous connection to a real physical system. This article presents a two-dimensional model, the particle confined within a ring, that directly corresponds to observations of surface electrons in a metal trapped inside a circular barrier.…

Spacecraft charging and ion wake formation in the near-Sun environment

NASA Astrophysics Data System (ADS)

Ergun, R. E.; Malaspina, D. M.; Bale, S. D.; McFadden, J. P.; Larson, D. E.; Mozer, F. S.; Meyer-Vernet, N.; Maksimovic, M.; Kellogg, P. J.; Wygant, J. R.

2010-07-01

A three-dimensional, self-consistent code is employed to solve for the static potential structure surrounding a spacecraft in a high photoelectron environment. The numerical solutions show that, under certain conditions, a spacecraft can take on a negative potential in spite of strong photoelectron currents. The negative potential is due to an electrostatic barrier near the surface of the spacecraft that can reflect a large fraction of the photoelectron flux back to the spacecraft. This electrostatic barrier forms if (1) the photoelectron density at the surface of the spacecraft greatly exceeds the ambient plasma density, (2) the spacecraft size is significantly larger than local Debye length of the photoelectrons, and (3) the thermal electron energy is much larger than the characteristic energy of the escaping photoelectrons. All of these conditions are present near the Sun. The numerical solutions also show that the spacecraft's negative potential can be amplified by an ion wake. The negative potential of the ion wake prevents secondary electrons from escaping the part of spacecraft in contact with the wake. These findings may be important for future spacecraft missions that go nearer to the Sun, such as Solar Orbiter and Solar Probe Plus.

Surface segregation and the Al problem in GaAs quantum wells

NASA Astrophysics Data System (ADS)

Chung, Yoon Jang; Baldwin, K. W.; West, K. W.; Shayegan, M.; Pfeiffer, L. N.

2018-03-01

Low-defect two-dimensional electron systems (2DESs) are essential for studies of fragile many-body interactions that only emerge in nearly-ideal systems. As a result, numerous efforts have been made to improve the quality of modulation-doped AlxGa1 -xAs /GaAs quantum wells (QWs), with an emphasis on purifying the source material of the QW itself or achieving better vacuum in the deposition chamber. However, this approach overlooks another crucial component that comprises such QWs, the AlxGa1 -xAs barrier. Here we show that having a clean Al source and hence a clean barrier is instrumental to obtain a high-quality GaAs 2DES in a QW. We observe that the mobility of the 2DES in GaAs QWs declines as the thickness or Al content of the AlxGa1 -xAs barrier beneath the QW is increased, which we attribute to the surface segregation of oxygen atoms that originate from the Al source. This conjecture is supported by the improved mobility in the GaAs QWs as the Al cell is cleaned out by baking.

Effects of surface motion and electron-hole pair excitations in CO2 dissociation and scattering on Ni(100)

NASA Astrophysics Data System (ADS)

Luo, Xuan; Zhou, Xueyao; Jiang, Bin

2018-05-01

The energy transfer between different channels is an important aspect in chemical reactions at surfaces. We investigate here in detail the energy transfer dynamics in a prototypical system, i.e., reactive and nonreactive scattering of CO2 on Ni(100), which is related to heterogeneous catalytic processes with Ni-based catalysts for CO2 reduction. On the basis of our earlier nine-dimensional potential energy surface for CO2/Ni(100), dynamical calculations have been done using the generalized Langevin oscillator (GLO) model combined with local density friction approximation (LDFA), in which the former accounts for the surface motion and the latter accounts for the low-energy electron-hole pair (EHP) excitation. In spite of its simplicity, it is found that the GLO model yields quite satisfactory results, including the significant energy loss and product energy disposal, trapping, and steering dynamics, all of which agree well with the ab initio molecular dynamics ones where many surface atoms are explicitly involved with high computational cost. However, the GLO model fails to describe the reactivity enhancement due to the lattice motion because it intrinsically does not incorporate the variance of barrier height on the surface atom displacement. On the other hand, in LDFA, the energy transferred to EHPs is found to play a minor role and barely alter the dynamics, except for slightly reducing the dissociation probabilities. In addition, vibrational state-selected dissociative sticking probabilities are calculated and previously observed strong mode specificity is confirmed. Our work suggests that further improvement of the GLO model is needed to consider the lattice-induced barrier lowering.

Structural details of Al/Al 2O3 junctions and their role in the formation of electron tunnel barriers

NASA Astrophysics Data System (ADS)

Koberidze, M.; Puska, M. J.; Nieminen, R. M.

2018-05-01

We present a computational study of the adhesive and structural properties of the Al/Al 2O3 interfaces as building blocks of the metal-insulator-metal (MIM) tunnel devices, where electron transport is accomplished via tunneling mechanism through the sandwiched insulating barrier. The main goal of this paper is to understand, on the atomic scale, the role of the geometrical details in the formation of the tunnel barrier profiles. Initially, we concentrate on the adhesive properties of the interfaces. To provide reliable results, we carefully assess the accuracy of the traditional methods used to examine Al/Al 2O3 systems. These are the most widely employed exchange-correlation functionals—local-density approximation and two different generalized gradient approximations; the universal binding-energy relation for predicting equilibrium interfacial distances and adhesion energies; and the ideal work of separation as a measure of junction stability. In addition, we show that the established interpretation of the computed ideal work of separation might be misleading in predicting the optimal interface structures. Finally, we perform a detailed analysis of the atomic and interplanar relaxations in each junction, and identify their contributions to the tunnel barrier parameters. Our results imply that the structural irregularities on the surface of the Al film have a significant contribution to lowering the tunnel barrier height, while atomic relaxations at the interface and interplanar relaxations in Al2O3 may considerably change the width of the barrier and, thus, distort its uniformity. Both the effects may critically influence the performance of the MIM tunnel devices.

Charging of moving surfaces by corona discharges sustained in air

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

Wang, Jun-Chieh, E-mail: junchwan@umich.edu; Kushner, Mark J., E-mail: mjkush@umich.edu; Zhang, Daihua, E-mail: dhzhang@tju.edu.cn

Atmospheric pressure corona discharges are used in electrophotographic (EP) printing technologies for charging imaging surfaces such as photoconductors. A typical corona discharge consists of a wire (or wire array) biased with a few hundred volts of dc plus a few kV of ac voltage. An electric discharge is produced around the corona wire from which electrons drift towards and charge the underlying dielectric surface. The surface charging reduces the voltage drop across the gap between the corona wire and the dielectric surface, which then terminates the discharge, as in a dielectric barrier discharge. In printing applications, this underlying surface ismore » continuously moving throughout the charging process. For example, previously charged surfaces, which had reduced the local electric field and terminated the local discharge, are translated out of the field of view and are replaced with uncharged surface. The uncharged surface produces a rebound in the electric field in the vicinity of the corona wire which in turn results in re-ignition of the discharge. The discharge, so reignited, is then asymmetric. We found that in the idealized corona charging system we investigated, a negatively dc biased corona blade with a dielectric covered ground electrode, the discharge is initially sustained by electron impact ionization from the bulk plasma and then dominated by ionization from sheath accelerated secondary electrons. Depending on the speed of the underlying surface, the periodic re-ignition of the discharge can produce an oscillatory charging pattern on the moving surface.« less

Influences of oxygen content on characteristics of atmospheric pressure dielectric barrier discharge in argon/oxygen mixtures

NASA Astrophysics Data System (ADS)

Fang, Zhi; Shao, Tao; Wang, Ruixue; Yang, Jing; Zhang, Cheng

2016-04-01

The dielectric barrier discharge generated in argon/oxygen mixtures at atmospheric pressure is investigated, and the effect of oxygen content on discharge characteristics at applied voltage of 4.5 kV is studied by means of electrical measurements and optical diagnostics. The results show that the filaments in the discharge regime become more densely packed with the increasing in the oxygen content, and the distribution of the filaments is more uniform in the gap. An increase in the oxygen content results in a decrease in the average power consumed and transported charges, while there exists an optimal value of oxygen content for the production of oxygen radicals. The maximal yield of oxygen radicals is obtained in mixtures of argon with 0.3% oxygen addition, and the oxygen radicals then decrease with the further increase in the oxygen content. The oxygen/argon plasma is employed to modify surface hydrophilicity of the PET films to estimate the influence of oxygen content on the surface treatment, and the static contact angles before and after the treatments are measured. The lowest contact angle is obtained at a 0.3% addition of oxygen to argon, which is in accordance with the optimum oxygen content for oxygen radicals generation. The electron density and electron temperature are estimated from the measured current and optical emission spectroscopy, respectively. The electron density is found to reduce significantly at a higher oxygen content due to the increased electron attachment, while the estimated electron temperature do not change apparently with the oxygen content. Contribution to the Topical Issue "Recent Breakthroughs in Microplasma Science and Technology", edited by Kurt Becker, Jose Lopez, David Staack, Klaus-Dieter Weltmann and Wei Dong Zhu.

PVD thermal barrier coating applications and process development for aircraft engines

NASA Astrophysics Data System (ADS)

Rigney, D. V.; Viguie, R.; Wortman, D. J.; Skelly, D. W.

1997-06-01

Thermal barrier coatings (TBCs) have been developed for application to aircraft engine components to improve service life in an increasingly hostile thermal environment. The choice of TBC type is related to the component, intended use, and economics. Selection of electron beam physical vapor deposition proc-essing for turbine blade is due in part to part size, surface finish requirements, thickness control needs, and hole closure issues. Process development of PVD TBCs has been carried out at several different sites, including GE Aircraft Engines (GEAE). The influence of processing variables on microstructure is dis-cussed, along with the GEAE development coater and initial experiences of pilot line operation.

A study of planar anchor groups for graphene-based single-molecule electronics.

PubMed

Bailey, Steven; Visontai, David; Lambert, Colin J; Bryce, Martin R; Frampton, Harry; Chappell, David

2014-02-07

To identify families of stable planar anchor groups for use in single molecule electronics, we report detailed results for the binding energies of two families of anthracene and pyrene derivatives adsorbed onto graphene. We find that all the selected derivatives functionalized with either electron donating or electron accepting substituents bind more strongly to graphene than the parent non-functionalized anthracene or pyrene. The binding energy is sensitive to the detailed atomic alignment of substituent groups over the graphene substrate leading to larger than expected binding energies for -OH and -CN derivatives. Furthermore, the ordering of the binding energies within the anthracene and pyrene series does not simply follow the electron affinities of the substituents. Energy barriers to rotation or displacement on the graphene surface are much lower than binding energies for adsorption and therefore at room temperature, although the molecules are bound to the graphene, they are almost free to move along the graphene surface. Binding energies can be increased by incorporating electrically inert side chains and are sensitive to the conformation of such chains.

A study of planar anchor groups for graphene-based single-molecule electronics

NASA Astrophysics Data System (ADS)

Bailey, Steven; Visontai, David; Lambert, Colin J.; Bryce, Martin R.; Frampton, Harry; Chappell, David

2014-02-01

To identify families of stable planar anchor groups for use in single molecule electronics, we report detailed results for the binding energies of two families of anthracene and pyrene derivatives adsorbed onto graphene. We find that all the selected derivatives functionalized with either electron donating or electron accepting substituents bind more strongly to graphene than the parent non-functionalized anthracene or pyrene. The binding energy is sensitive to the detailed atomic alignment of substituent groups over the graphene substrate leading to larger than expected binding energies for -OH and -CN derivatives. Furthermore, the ordering of the binding energies within the anthracene and pyrene series does not simply follow the electron affinities of the substituents. Energy barriers to rotation or displacement on the graphene surface are much lower than binding energies for adsorption and therefore at room temperature, although the molecules are bound to the graphene, they are almost free to move along the graphene surface. Binding energies can be increased by incorporating electrically inert side chains and are sensitive to the conformation of such chains.

Scanning probe microscopy and field emission schemes for studying electron emission from polycrystalline diamond

NASA Astrophysics Data System (ADS)

Chubenko, Oksana; Baturin, Stanislav S.; Baryshev, Sergey V.

2016-09-01

The letter introduces a diagram that rationalizes tunneling atomic force microscopy (TUNA) observations of electron emission from polycrystalline diamonds as described in the recent publications [Chatterjee et al., Appl. Phys. Lett. 104, 171907 (2014); Harniman et al., Carbon 94, 386 (2015)]. The direct observations of electron emission from the grain boundary sites by TUNA could indeed be the evidence of electrons originating from grain boundaries under external electric fields. At the same time, from the diagram, it follows that TUNA and field emission schemes are complimentary rather than equivalent for results interpretation. It is further proposed that TUNA could provide better insights into emission mechanisms by measuring the detailed structure of the potential barrier on the surface of polycrystalline diamonds.

Observations of the ratio of low-energy cosmic-ray positrons and electrons during solar quiet times

NASA Technical Reports Server (NTRS)

Hurford, G. J.; Mewaldt, R. A.; Stone, E. C.; Vogt, R. E.

1974-01-01

Simultaneous observations of the quiet-time interplanetary positron and electron spectra between 0.16 and 1.6 MeV are reported. The measurements were made in selected time intervals between October 1, 1972 and February 1, 1973 with the Caltech Electron/Isotope Spectrometer on the IMP-7 satellite. The detector system consists of a stack of 11 silicon surface-barrier detectors surrounded by a plastic scintillator anti-coincidence cup. The method of e+ identification and possible background effects are discussed and upper limits to the 0.16 to 1.6 MeV quiet-time positron flux are reported. During this period positrons amounted to less than 20% of the total 0.16 to 1.6 MeV electron flux.

Connecting the irreversible capacity loss in Li-ion batteries with the electronic insulating properties of solid electrolyte interphase (SEI) components.

DOE PAGES

Leung, Kevin; Lin, Yu -Xiao; Liu, Zhe; ...

2016-01-01

The formation and continuous growth of a solid electrolyte interphase (SEI) layer are responsible for the irreversible capacity loss of batteries in the initial and subsequent cycles, respectively. In this article, the electron tunneling barriers from Li metal through three insulating SEI components, namely Li 2CO 3, LiF and Li 3PO 4, are computed by density function theory (DFT) approaches. Based on electron tunneling theory, it is estimated that sufficient to block electron tunneling. It is also found that the band gap decreases under tension while the work function remains the same, and thus the tunneling barrier decreases under tensionmore » and increases under compression. A new parameter, η, characterizing the average distances between anions, is proposed to unify the variation of band gap with strain under different loading conditions into a single linear function of η. An analytical model based on the tunneling results is developed to connect the irreversible capacity loss, due to the Li ions consumed in forming these SEI component layers on the surface of negative electrodes. As a result, the agreement between the model predictions and experimental results suggests that only the initial irreversible capacity loss is due to the self-limiting electron tunneling property of the SEI.« less

Measurements of electron detection efficiencies in solid state detectors.

NASA Technical Reports Server (NTRS)

Lupton, J. E.; Stone, E. C.

1972-01-01

Detailed laboratory measurement of the electron response of solid state detectors as a function of incident electron energy, detector depletion depth, and energy-loss discriminator threshold. These response functions were determined by exposing totally depleted silicon surface barrier detectors with depletion depths between 50 and 1000 microns to the beam from a magnetic beta-ray spectrometer. The data were extended to 5000 microns depletion depth using the results of previously published Monte Carlo electron calculations. When the electron counting efficiency of a given detector is plotted as a function of energy-loss threshold for various incident energies, the efficiency curves are bounded by a smooth envelope which represents the upper limit to the detection efficiency. These upper limit curves, which scale in a simple way, make it possible to easily estimate the electron sensitivity of solid-state detector systems.

Kinetic Migration of Diethylhexyl Phthalate in Functional PVC Films

NASA Astrophysics Data System (ADS)

Fei, Fei; Liu, Zhongwei; Chen, Qiang; Liu, Fuping

2012-02-01

Plasticizers that are generally used in plastics to produce flexible food packaging materials have proved to cause reproductive system problems and women's infertility. A long-term consumption may even cause cancer diseases. Hence a nano-scale layer, named as functional barrier layer, was deposited on the plastic surface to prevent plasticizer diethylhexyl phthalate's (DEHP) migration from plastics to foods. The feasibility of functional barrier layer i.e. SiOx coating through plasma enhanced chemical vapor deposition (PECVD) process was then described in this paper. We used Fourier transform infrared spectroscopy (FTIR) to analyze the chemical composition of coatings, scanning electron microscope (SEM) to explore the topography of the coating surfaces, surface profilemeter to measure thickness of coatings, and high-performance liquid chromatography (HPLC) to evaluate the barrier properties of coatings. The results have clearly shown that the coatings can perfectly block the migration of the DEHP from plastics to their containers. It is also concluded that process parameters significantly influence the block efficiency of the coatings. When the deposition conditions of SiOx coatings were optimized, i.e. 50 W of the discharge power, 4:1 of ratio of O2: HMDSO, and ca.100 nm thickness of SiOx, 71.2% of the DEHP was effectively blocked.

Ionic liquid gating on atomic layer deposition passivated GaN: Ultra-high electron density induced high drain current and low contact resistance

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

Zhou, Hong; Du, Yuchen; Ye, Peide D., E-mail: yep@purdue.edu

2016-05-16

Herein, we report on achieving ultra-high electron density (exceeding 10{sup 14 }cm{sup −2}) in a GaN bulk material device by ionic liquid gating, through the application of atomic layer deposition (ALD) of Al{sub 2}O{sub 3} to passivate the GaN surface. Output characteristics demonstrate a maximum drain current of 1.47 A/mm, the highest reported among all bulk GaN field-effect transistors, with an on/off ratio of 10{sup 5} at room temperature. An ultra-high electron density exceeding 10{sup 14 }cm{sup −2} accumulated at the surface is confirmed via Hall-effect measurement and transfer length measurement. In addition to the ultra-high electron density, we also observe a reductionmore » of the contact resistance due to the narrowing of the Schottky barrier width on the contacts. Taking advantage of the ALD surface passivation and ionic liquid gating technique, this work provides a route to study the field-effect and carrier transport properties of conventional semiconductors in unprecedented ultra-high charge density regions.« less

Effect of Surface Morphology and Magnetic Impurities on the Electronic Structure in Cobalt-Doped BaFe 2 As 2 Superconductors

DOE PAGES

Zou, Qiang; Wu, Zhiming; Fu, Mingming; ...

2017-02-03

Combined scanning tunneling microscopy, spectroscopy, and local barrier height (LBH) studies show that low-temperature-cleaved optimally doped Ba(Fe 1–xCo x) 2As 2 crystals with x = 0.06, with T c = 22 K, have complicated morphologies. Although the cleavage surface and hence the morphologies are variable, the superconducting gap maps show the same gap widths and nanometer size inhomogeneities irrelevant to the morphology. Based on the spectroscopy and LBH maps, the bright patches and dark stripes in the morphologies are identified as Ba- and As-dominated surface terminations, respectively. Magnetic impurities, possibly due to Co or Fe atoms, are believed to createmore » local in-gap state and, in addition, suppress the superconducting coherence peaks. Lastly, this study will clarify the confusion on the cleavage surface terminations of the Fe-based superconductors and its relation with the electronic structures.« less

Energy shift and conduction-to-valence band transition mediated by a time-dependent potential barrier in graphene

NASA Astrophysics Data System (ADS)

Chaves, Andrey; da Costa, D. R.; de Sousa, G. O.; Pereira, J. M.; Farias, G. A.

2015-09-01

We investigate the scattering of a wave packet describing low-energy electrons in graphene by a time-dependent finite-step potential barrier. Our results demonstrate that, after Klein tunneling through the barrier, the electron acquires an extra energy which depends on the rate of change of the barrier height with time. If this rate is negative, the electron loses energy and ends up as a valence band state after leaving the barrier, which effectively behaves as a positively charged quasiparticle.

Electron Transfer Pathways Facilitating U(VI) Reduction by Fe(II) on Al- vs Fe-Oxides

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

Taylor, S. D.; Becker, U.; Rosso, K. M.

This study continues mechanistic development of heterogeneous electron transfer (ET) pathways at mineral surfaces in aquatic environments that enable the reduction U(VI) by surface-associated Fe(II). Using computational molecular simulation within the framework of Marcus Theory, our findings highlight the importance of the configurations and interaction of the electron donor and acceptor species with the substrate, with respect to influencing its electronic structure and thereby the ability of semiconducting minerals to facilitate ET. U(VI) reduction by surface-associated Fe(II) (adsorbed or structurally incorporated into the lattice) on an insulating, corundum (001) surface (α-Al2O3) occurs when proximal inner-sphere (IS) surface complexes are formed,more » such that ET occurs through a combination of direct exchange (i.e., Fe d- and U f-orbitals overlap through space) and superexchange via intervening surface oxygen atoms. U(VI) reduction by coadsorbed Fe(II) on the isostructural semiconducting hematite (α-Fe2O3) basal surface requires either their direct electronic interaction (e.g., IS complexation) or mediation of this interaction indirectly through the surface via an intrasurface pathway. Conceptually possible longer-range ET by charge-hopping through surface Fe atoms was investigated to determine whether this indirect pathway is competitive with direct ET. The calculations show that energy barriers are large for this conduction-based pathway; interfacial ET into the hematite surface is endothermic (+80.1 kJ/mol) and comprises the rate-limiting step (10–6 s–1). The presence of the IS adsorbates appears to weaken the electronic coupling between underlying Fe ions within the surface, resulting in slower intra-surface ET (10–5 s–1) than expected in the bulk basal plane. Our findings lay out first insights into donor-acceptor communication via a charge-hopping pathway through the surface for heterogeneous reduction of U(VI) by Fe(II) and help provide a basis for experimental interrogation of this important process at mineral-water interfaces.« less

Surface morphology of erbium silicide

NASA Technical Reports Server (NTRS)

Lau, S. S.; Pai, C. S.; Wu, C. S.; Kuech, T. F.; Liu, B. X.

1982-01-01

The surface of rare-earth silicides (Er, Tb, etc.), formed by the reaction of thin-film metal layers with a silicon substrate, is typically dominated by deep penetrating, regularly shaped pits. These pits may have a detrimental effect on the electronic performance of low Schottky barrier height diodes utilizing such silicides on n-type Si. This study suggests that contamination at the metal-Si or silicide-Si interface is the primary cause of surface pitting. Surface pits may be reduced in density or eliminated entirely through either the use of Si substrate surfaces prepared under ultrahigh vacuum conditions prior to metal deposition and silicide formation or by means of ion irradiation techniques. Silicide layers formed by these techniques possess an almost planar morphology.

Theoretical/experimental comparison of deep tunneling decay of quasi-bound H(D)OCO to H(D) + CO₂.

PubMed

Wagner, Albert F; Dawes, Richard; Continetti, Robert E; Guo, Hua

2014-08-07

The measured H(D)OCO survival fractions of the photoelectron-photofragment coincidence experiments by the Continetti group are qualitatively reproduced by tunneling calculations to H(D) + CO2 on several recent ab initio potential energy surfaces for the HOCO system. The tunneling calculations involve effective one-dimensional barriers based on steepest descent paths computed on each potential energy surface. The resulting tunneling probabilities are converted into H(D)OCO survival fractions using a model developed by the Continetti group in which every oscillation of the H(D)-OCO stretch provides an opportunity to tunnel. Four different potential energy surfaces are examined with the best qualitative agreement with experiment occurring for the PIP-NN surface based on UCCSD(T)-F12a/AVTZ electronic structure calculations and also a partial surface constructed for this study based on CASPT2/AVDZ electronic structure calculations. These two surfaces differ in barrier height by 1.6 kcal/mol but when matched at the saddle point have an almost identical shape along their reaction paths. The PIP surface is a less accurate fit to a smaller ab initio data set than that used for PIP-NN and its computed survival fractions are somewhat inferior to PIP-NN. The LTSH potential energy surface is the oldest surface examined and is qualitatively incompatible with experiment. This surface also has a small discontinuity that is easily repaired. On each surface, four different approximate tunneling methods are compared but only the small curvature tunneling method and the improved semiclassical transition state method produce useful results on all four surfaces. The results of these two methods are generally comparable and in qualitative agreement with experiment on the PIP-NN and CASPT2 surfaces. The original semiclassical transition state theory method produces qualitatively incorrect tunneling probabilities on all surfaces except the PIP. The Eckart tunneling method uses the least amount of information about the reaction path and produces too high a tunneling probability on PIP-NN surface, leading to survival fractions that peak at half their measured values.

Method for fabricating solar cells having integrated collector grids

NASA Technical Reports Server (NTRS)

Evans, J. C., Jr. (Inventor)

1979-01-01

A heterojunction or Schottky barrier photovoltaic device comprising a conductive base metal layer compatible with and coating predominately the exposed surface of the p-type substrate of the device such that a back surface field region is formed at the interface between the device and the base metal layer, a transparent, conductive mixed metal oxide layer in integral contact with the n-type layer of the heterojunction or Schottky barrier device having a metal alloy grid network of the same metal elements of the oxide constituents of the mixed metal oxide layer embedded in the mixed metal oxide layer, an insulating layer which prevents electrical contact between the conductive metal base layer and the transparent, conductive metal oxide layer, and a metal contact means covering the insulating layer and in intimate contact with the metal grid network embedded in the transparent, conductive oxide layer for conducting electrons generated by the photovoltaic process from the device.

Discharge dynamics of pin-to-plate dielectric barrier discharge at atmospheric pressure

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

Sun Liqun; Huang, Xiaojiang; Member of Magnetic Confinement Fusion Research Center, Ministry of Education of the People's Republic of China, Shanghai 201620

2010-11-15

The discharge dynamics of pin-to-plate dielectric barrier discharge was studied in atmospheric helium at 20 kHz. The discharge was predominately ignited in positive half cycle of applied voltage with sinusoidal waveform. The temporal evolution of the discharge was investigated vertically along the discharge gap and radically on the dielectric surface by time resolved imaging. It is found that a discharge column with a diameter of 2 mm was ignited above the pin electrode and expanded toward a plate electrode. On the dielectric surface with space charge accumulation, plasma disk in terms of plasma ring was formed with radius up tomore » 25 mm. The expansion velocity of plasma ring can reach a hypersonic speed of 3.0 km/s. The ionization wave due to electron diffusion is considered to be the mechanism for plasma ring formation and dynamics.« less

Discharge dynamics of pin-to-plate dielectric barrier discharge at atmospheric pressure

NASA Astrophysics Data System (ADS)

Sun, Liqun; Huang, Xiaojiang; Zhang, Jie; Zhang, Jing; Shi, J. J.

2010-11-01

The discharge dynamics of pin-to-plate dielectric barrier discharge was studied in atmospheric helium at 20 kHz. The discharge was predominately ignited in positive half cycle of applied voltage with sinusoidal waveform. The temporal evolution of the discharge was investigated vertically along the discharge gap and radically on the dielectric surface by time resolved imaging. It is found that a discharge column with a diameter of 2 mm was ignited above the pin electrode and expanded toward a plate electrode. On the dielectric surface with space charge accumulation, plasma disk in terms of plasma ring was formed with radius up to 25 mm. The expansion velocity of plasma ring can reach a hypersonic speed of 3.0 km/s. The ionization wave due to electron diffusion is considered to be the mechanism for plasma ring formation and dynamics.

Improving oxidation resistance and thermal insulation of thermal barrier coatings by intense pulsed electron beam irradiation

NASA Astrophysics Data System (ADS)

Mei, Xianxiu; Liu, Xiaofei; Wang, Cunxia; Wang, Younian; Dong, Chuang

2012-12-01

In this paper, intense pulsed electron beam was used for the irradiation treatment of 6-8% Y2O3-stablized ZrO2 thermal barrier coating prepared by electron beam-physical vapor deposition to achieve the "sealing" of columnar crystals, thus improving their thermal insulation properties and high temperature oxidation resistance. The electron beam parameters used were: pulse duration 200 μs, electron voltage 15 kV, energy density 3, 5, 8, 15, 20 J/cm2, and pulsed numbers 30. 1050 °C cyclic oxidation and static oxidation experiments were used for the research on oxidation resistance of the coatings. When the energy density of the electron beam was larger than 8 J/cm2, ZrO2 ceramic coating surface was fully re-melted and became smooth, dense and shiny. The coating changed into a smooth polycrystalline structure, thus achieving the "sealing" effect of the columnar crystals. After irradiations with the energy density of 8-15 J/cm2, the thermally grown oxide coating thickness decreased significantly in comparison with non-irradiated coatings, showing that the re-melted coating improved the oxidation resistance of the coatings. The results of thermal diffusivity test by laser flash method showed that the thermal diffusion rate of the irradiated coating was lower than that of the coating without irradiation treatment, and the thermal insulation performance of irradiated coating was improved.

Electron beam extraction on plasma cathode electron sources system

NASA Astrophysics Data System (ADS)

Purwadi, Agus; Taufik, M., Lely Susita R.; Suprapto, Saefurrochman, H., Anjar A.; Wibowo, Kurnia; Aziz, Ihwanul; Siswanto, Bambang

2017-03-01

ELECTRON BEAM EXTRACTION ON PLASMA CATHODE ELECTRON SOURCES SYSTEM. The electron beam extraction through window of Plasma Generator Chamber (PGC) for Pulsed Electron Irradiator (PEI) device and simulation of plasma potential has been studied. Plasma electron beam is extracted to acceleration region for enlarging their power by the external accelerating high voltage (Vext) and then it is passed foil window of the PEI for being irradiated to any target (atmospheric pressure). Electron beam extraction from plasma surface must be able to overcome potential barrier at the extraction window region which is shown by estimate simulation (Opera program) based on data of plasma surface potential of 150 V with Ueks values are varied by 150 kV, 175 kV and 200 kV respectively. PGC is made of 304 stainless steel with cylindrical shape in 30 cm of diameter, 90 cm length, electrons extraction window as many as 975 holes on the area of (15 × 65) cm2 with extraction hole cell in 0.3 mm of radius each other, an cylindrical shape IEP chamber is made of 304 stainless steel in 70 cm diameter and 30 cm length. The research result shown that the acquisition of electron beam extraction current depends on plasma parameters (electron density ne, temperature Te), accelerating high voltage Vext, the value of discharge parameter G, anode area Sa, electron extraction window area Se and extraction efficiency value α.

What's on the Surface? Physics and Chemistry of Delta-Doped Surfaces

NASA Technical Reports Server (NTRS)

Hoenk, Michael

2011-01-01

Outline of presentation: 1. Detector surfaces and the problem of stability 2. Delta-doped detectors 3. Physics of Delta-doped Silicon 4. Chemistry of the Si-SiO2 Interface 5. Physics and Chemistry of Delta-doped Surfaces a. Compensation b. Inversion c. Quantum exclusion. Conclusions: 1. Quantum confinement of electrons and holes dominates the behavior of delta-doped surfaces. 2. Stability of delta-doped detectors: Delta-layer creates an approx 1 eV tunnel barrier between bulk and surface. 3. At high surface charge densities, Tamm-Shockley states form at the surface. 4. Surface passivation by quantum exclusion: Near-surface delta-layer suppresses T-S trapping of minority carriers. 5. The Si-SiO2 interface compensates the surface 6. For delta-layers at intermediate depth, surface inversion layer forms 7. Density of Si-SiO2 interface charge can be extremely high (>10(exp 14)/sq cm)

Robust, functional nanocrystal solids by infilling with atomic layer deposition

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

Liu, Yao; Gibbs, Markelle; Perkins, Craig L.

2011-12-14

Thin films of colloidal semiconductor nanocrystals (NCs) are inherently metatstable materials prone to oxidative and photothermal degradation driven by their large surface-to-volume ratios and high surface energies. The fabrication of practical electronic devices based on NC solids hinges on preventing oxidation, surface diffusion, ripening, sintering, and other unwanted physicochemical changes that can plague these materials. Here we use low-temperature atomic layer deposition (ALD) to infill conductive PbSe NC solids with metal oxides to produce inorganic nanocomposites in which the NCs are locked in place and protected against oxidative and photothermal damage. Infilling NC field-effect transistors and solar cells with amorphousmore » alumina yields devices that operate with enhanced and stable performance for at least months in air. Furthermore, ALD infilling with ZnO lowers the height of the inter-NC tunnel barrier for electron transport, yielding PbSe NC films with electron mobilities of 1 cm² V -1 s -1. Our ALD technique is a versatile means to fabricate robust NC solids for optoelectronic devices.« less

Oxygen plasma etching of graphene: A first-principles dynamical inspection of the reaction mechanisms and related activation barriers

NASA Astrophysics Data System (ADS)

Koizumi, Kenichi; Boero, Mauro; Shigeta, Yasuteru; Oshiyama, Atsushi; Dept. of Applied Physics Team; Institute of Physics and Chemistry of Strasbourg (IPCMS) Collaboration; Department Of Materials Engineering Science Collaboration

2013-03-01

Oxygen plasma etching is a crucial step in the fabrication of electronic circuits and has recently received a renovated interest in view of the realization of carbon-based nanodevices. In an attempt at unraveling the atomic-scale details and to provide guidelines for the control of the etching processes mechanisms, we inspected the possible reaction pathways via reactive first principles simulations. These processes involve breaking and formation of several chemical bonds and are characterized by different free-energy barriers. Free-energy sampling techniques (metadynamics and blue moon), used to enhance the standard Car-Parrinello molecular dynamics, provide us a detailed microscopic picture of the etching of graphene surfaces and a comprehensive scenario of the activation barriers involved in the various steps. MEXT, Japan - contract N. 22104005

LASER APPLICATIONS AND OTHER TOPICS IN QUANTUM ELECTRONICS: Barrier-discharge-excited coaxial excilamps with the enhanced pulse energy

NASA Astrophysics Data System (ADS)

Panchenko, A. N.; Tarasenko, V. F.

2008-01-01

The parameters of sealed off barrier excilamps are studied at high excitation powers. The total output pulse energy up to 25 mJ is achieved (the emitting area of a KrCl excilamp was up to 1500 cm2, the output power was above 100 kW, and the efficiency achieved 10%). It is shown that a volume discharge was formed in the coaxial excilamp when the energy supplied to the working mixture was increased and the pulse repetition rate was increased up to 50 Hz. The peak radiation intensity on the excilamp surface achieved ~100 W cm-2. The optimal excitation energy of a barrier excilamp was found to be 0.1-0.2 mJ cm-3. The excilamp efficiency rapidly decreases with further increasing the input energy.

Effects of autoclave sterilization on properties of dental rubber dam as related to its use as barrier membrane in guided tissue regeneration.

PubMed

Apinhasmit, Wandee; Limsombutanon, Somchai; Swasdison, Somporn; Suppipat, Nophadol

2003-10-01

Dental rubber dams (RDs) were used as barrier membranes in guided tissue regeneration for the treatment of periodontal intraosseous defects with acceptable clinical results. The aim of the present study was to investigate the effects of autoclave sterilization on properties of RD as related to its use as a barrier membrane in guided tissue regeneration. RDs were sterilized by either an autoclave, gamma irradiation, or chemical agents and then co-cultured with human gingival fibroblasts. The cell responses to sterilized RDs were investigated by inverted phase contrast microscopy, scanning electron microscopy (SEM) and 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide (MTT) technique. The surface alterations of the autoclaved RDs were observed under SEM. The tensile strength, tear strength and elongation at break of the autoclaved RDs were tested by a universal testing machine. The results from cell culture, microscopic and MTT studies showed that RDs sterilized by autoclave and gamma irradiation did not deteriorate gingival fibroblasts and provided surfaces suitable for cell attachment, whereas chemical-sterilized RDs were toxic to these cells. Ultrastructurally, surface changes from the non-autoclaved RDs, including some melted areas, small pores and folds were observed on the autoclaved RD surface. The tensile strength and tear strength of the autoclaved RDs were significantly lower than those of the non-autoclaved RDs (p = 0.042, p < 0.001, respectively). In contrast, the elongation at break of the autoclaved RDs was higher than that of the non-autoclaved RDs (p < 0.001). These results suggest that the autoclave sterilization deteriorated the physical properties of RDs even though they seemed to be compatible to the cultured human cells. Therefore, the sterilization method should be taken into consideration when RDs are utilized as barrier membranes.

Adhesive flexible barrier film, method of forming same, and organic electronic device including same

DOEpatents

Blizzard, John Donald; Weidner, William Kenneth

2013-02-05

An adhesive flexible barrier film comprises a substrate and a barrier layer disposed on the substrate. The barrier layer is formed from a barrier composition comprising an organosilicon compound. The adhesive flexible barrier film also comprises an adhesive layer disposed on the barrier layer and formed from an adhesive composition. A method of forming the adhesive flexible barrier film comprises the steps of disposing the barrier composition on the substrate to form the barrier layer, disposing the adhesive composition on the barrier layer to form the adhesive layer, and curing the barrier layer and the adhesive layer. The adhesive flexible barrier film may be utilized in organic electronic devices.

Plasmonic tunnel junctions for single-molecule redox chemistry.

PubMed

de Nijs, Bart; Benz, Felix; Barrow, Steven J; Sigle, Daniel O; Chikkaraddy, Rohit; Palma, Aniello; Carnegie, Cloudy; Kamp, Marlous; Sundararaman, Ravishankar; Narang, Prineha; Scherman, Oren A; Baumberg, Jeremy J

2017-10-20

Nanoparticles attached just above a flat metallic surface can trap optical fields in the nanoscale gap. This enables local spectroscopy of a few molecules within each coupled plasmonic hotspot, with near thousand-fold enhancement of the incident fields. As a result of non-radiative relaxation pathways, the plasmons in such sub-nanometre cavities generate hot charge carriers, which can catalyse chemical reactions or induce redox processes in molecules located within the plasmonic hotspots. Here, surface-enhanced Raman spectroscopy allows us to track these hot-electron-induced chemical reduction processes in a series of different aromatic molecules. We demonstrate that by increasing the tunnelling barrier height and the dephasing strength, a transition from coherent to hopping electron transport occurs, enabling observation of redox processes in real time at the single-molecule level.

Radiation damage effects on solid state detectors

NASA Technical Reports Server (NTRS)

Trainor, J. H.

1972-01-01

Totally depleted silicon diodes are discussed which are used as nuclear particle detectors in investigations of galactic and solar cosmic radiation and trapped radiation. A study of radiation and chemical effects on the diodes was conducted. Work on electron and proton irradiation of surface barrier detectors with thicknesses up to 1 mm was completed, and work on lithium-drifted silicon devices with thicknesses of several millimeters was begun.

Semiconductor detector with smoothly tunable effective thickness for the study of ionization loss by moderately relativistic electrons

NASA Astrophysics Data System (ADS)

Shchagin, A. V.; Shul'ga, N. F.; Trofymenko, S. V.; Nazhmudinov, R. M.; Kubankin, A. S.

2016-11-01

The possibility of measurement of electrons ionization loss in Si layer of smoothly tunable thickness is shown in the proof-of-principle experiment. The Si surface-barrier detector with the depleted layer thickness controlled by the value of high voltage power supply has been used. Ionization loss spectra for electrons emitted by radioactive source 207Bi are presented and discussed. Experimental results for the most probable ionization loss in the Landau spectral peak are compared with theoretical calculations. The possibility of research of evolution of electromagnetic field of ultra-relativistic particles traversing media interface with the use of detectors with smoothly tunable thickness is proposed.

Spin Uncoupling in Chemisorbed OCCO and CO 2: Two High-Energy Intermediates in Catalytic CO 2 Reduction

DOE PAGES

Hedstrom, Svante; dos Santos, Egon Campos; Liu, Chang; ...

2018-05-08

Here, the production of useful compounds via the electrochemical carbon dioxide reduction reaction (CO2RR) is a matter of intense research. Although the thermodynamics and kinetic barriers of CO2RR are reported in previous computational studies, the electronic structure details are often overlooked. We study two important CO2RR intermediates: ethylenedione (OCCO) and CO 2 covalently bound to cluster and slab models of the Cu(100) surface. Both molecules exhibit a near-unity negative charge as chemisorbed, but otherwise they behave quite differently, as explained by a spin-uncoupling perspective. OCCO adopts a high-spin, quartetlike geometry, allowing two covalent bonds to the surface with an averagemore » gross interaction energy of –1.82 eV/bond. The energy cost for electronically exciting OCCO– to the quartet state is 1.5 eV which is readily repaid via the formation of its two surface bonds. CO 2, conversely, retains a low-spin, doubletlike structure upon chemisorption, and its single unpaired electron forms a single covalent surface bond of –2.07 eV. The 5.0 eV excitation energy to the CO 2 – quartet state is prohibitively costly and cannot be compensated for by an additional surface bond.« less

Dislocation nucleation facilitated by atomic segregation

NASA Astrophysics Data System (ADS)

Zou, Lianfeng; Yang, Chaoming; Lei, Yinkai; Zakharov, Dmitri; Wiezorek, Jörg M. K.; Su, Dong; Yin, Qiyue; Li, Jonathan; Liu, Zhenyu; Stach, Eric A.; Yang, Judith C.; Qi, Liang; Wang, Guofeng; Zhou, Guangwen

2018-01-01

Surface segregation--the enrichment of one element at the surface, relative to the bulk--is ubiquitous to multi-component materials. Using the example of a Cu-Au solid solution, we demonstrate that compositional variations induced by surface segregation are accompanied by misfit strain and the formation of dislocations in the subsurface region via a surface diffusion and trapping process. The resulting chemically ordered surface regions acts as an effective barrier that inhibits subsequent dislocation annihilation at free surfaces. Using dynamic, atomic-scale resolution electron microscopy observations and theory modelling, we show that the dislocations are highly active, and we delineate the specific atomic-scale mechanisms associated with their nucleation, glide, climb, and annihilation at elevated temperatures. These observations provide mechanistic detail of how dislocations nucleate and migrate at heterointerfaces in dissimilar-material systems.

Extension of the general thermal field equation for nanosized emitters

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

Kyritsakis, A., E-mail: akyritsos1@gmail.com; Xanthakis, J. P.

2016-01-28

During the previous decade, Jensen et al. developed a general analytical model that successfully describes electron emission from metals both in the field and thermionic regimes, as well as in the transition region. In that development, the standard image corrected triangular potential barrier was used. This barrier model is valid only for planar surfaces and therefore cannot be used in general for modern nanometric emitters. In a recent publication, the authors showed that the standard Fowler-Nordheim theory can be generalized for highly curved emitters if a quadratic term is included to the potential model. In this paper, we extend thismore » generalization for high temperatures and include both the thermal and intermediate regimes. This is achieved by applying the general method developed by Jensen to the quadratic barrier model of our previous publication. We obtain results that are in good agreement with fully numerical calculations for radii R > 4 nm, while our calculated current density differs by a factor up to 27 from the one predicted by the Jensen's standard General-Thermal-Field (GTF) equation. Our extended GTF equation has application to modern sharp electron sources, beam simulation models, and vacuum breakdown theory.« less

Fast enhancement on hydrophobicity of poplar wood surface using low-pressure dielectric barrier discharges (DBD) plasma

NASA Astrophysics Data System (ADS)

Chen, Weimin; Zhou, Xiaoyan; Zhang, Xiaotao; Bian, Jie; Shi, Shukai; Nguyen, Thiphuong; Chen, Minzhi; Wan, Jinglin

2017-06-01

The hydrophilicity of woody products leads to deformation and cracks, which greatly limits its applications. Low-pressure dielectric barrier discharge (DBD) plasma using hexamethyldisiloxane was applied in poplar wood surface to enhance the hydrophobicity. The chemical properties, micro-morphology, and contact angles of poplar wood surface before and after plasma treatment were investigated by attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), x-ray photoelectron spectroscopy (XPS), scanning electron microscope and energy dispersive analysis of X-ray (SEM-EDX), atomic force microscopy (AFM), and optical contact angle measurement (OCA). Moreover, tinfoil film was used as the base to reveal the enhancement mechanism. The results showed that hexamethyldisiloxane monomer is first broken into several fragments with active sites and hydrophobic chemical groups. Meanwhile, plasma treatment results in the formation of free radicals and active sites in the poplar wood surface. Then, the fragments are reacted with free radicals and incorporated into the active sites to form a network structure based on the linkages of Si-O-Si and Sisbnd Osbnd C. Plasma treatment also leads to the formation of acicular nano-structure in poplar wood surface. These facts synergistically enhance the hydrophobicity of poplar wood surface, demonstrating the dramatically increase in the equilibrium contact angle by 330%.

Interfacial Chemistry-Induced Modulation of Schottky Barrier Heights: In Situ Measurements of the Pt-Amorphous Indium Gallium Zinc Oxide Interface Using X-ray Photoelectron Spectroscopy.

PubMed

Flynn, Brendan T; Oleksak, Richard P; Thevuthasan, Suntharampillai; Herman, Gregory S

2018-01-31

A method to understand the role of interfacial chemistry on the modulation of Schottky barrier heights for platinum and amorphous indium gallium zinc oxide (a-IGZO) interfaces is demonstrated through thermal processing and background ambient pressure control. In situ X-ray photoelectron spectroscopy was used to characterize the interfacial chemistries that modulate barrier heights in this system. The primary changes were a significant chemical reduction of indium, from In 3+ to In 0 , that occurs during deposition of Pt on to the a-IGZO surface in ultrahigh vacuum. Postannealing and controlling the background ambient O 2 pressure allows further tuning of the reduction of indium and the corresponding Schottky barrier heights from 0.17 to 0.77 eV. Understanding the detailed interfacial chemistries at Pt/a-IGZO interfaces may allow for improved electronic device performance, including Schottky diodes, memristors, and metal-semiconductor field-effect transistors.

The Corneal Epithelial Barrier and Its Developmental Role in Isolating Corneal Epithelial and Conjunctival Cells From One Another

PubMed Central

Kubilus, James K.; Zapater i Morales, Carolina; Linsenmayer, Thomas F.

2017-01-01

Purpose During development, the corneal epithelium (CE) and the conjunctiva are derived from the surface ectoderm. Here we have examined how, during development, the cells of these two issues become isolated from each other. Methods Epithelia from the anterior eyes of chicken embryos were labeled with the fluorescent, lipophilic dye, 1,1′-dioctadecyl-3,3,3′,3′-tetramethylindocarbocyanine perchlorate (DiI). DiI was placed on the epithelial surface of the developing anterior eye and its diffusion was monitored by fluorescence microscopy. Concomitant morphologic changes in the surface cells of these epithelial were examined by scanning electron microscopy. Immunofluorescence was used to analyze the expression of cytokeratin K3, ZO-1, N-cadherin and Connexin-43 and the function of gap junctions was analyzed using a cut-loading with the fluorescent dye rhodamine-dextran. Results Prior to embryonic day 8 (E8), DiI placed on the surface of the CE spreads throughout all the epithelial cells of the anterior eye. When older eyes were similarly labeled, dye diffusion was restricted to the CE. Similarly, diffusion of DiI placed on the conjunctival surface after E8 was restricted to the conjunctiva. Scanning electron microscopy showed that developmentally (1) physical separations progressively form between the cells of the CE and those of the conjunctiva, and (2) by E8 these separations form a ring that completely encompasses the cornea. The functional restriction of gap junctions between these tissues did not occur until E14. Conclusions During ocular development, a barrier to the diffusion of DiI forms between the contiguous CE and conjunctiva prior to the differential expression of gap junctions within these tissues. PMID:28319640

Reduction of microbial contamination and improvement of germination of sweet basil (Ocimum basilicum L.) seeds via surface dielectric barrier discharge

NASA Astrophysics Data System (ADS)

Ambrico, Paolo F.; Šimek, Milan; Morano, Massimo; De Miccolis Angelini, Rita M.; Minafra, Angelantonio; Trotti, Pasquale; Ambrico, Marianna; Prukner, Václav; Faretra, Francesco

2017-08-01

Naturally contaminated basil seeds were treated by a surface dielectric barrier discharge driven in the humid air by an amplitude modulated AC high voltage to avoid heat shock. In order to avoid direct contact of seeds with microdischarge filaments, the seeds to be treated were placed at sufficient distance from the surface discharge. After treatment, the seeds were analyzed in comparison with control samples for their microbial contamination as well as for the capability of germination and seedling growth. Moreover, chemical modification of seed surface was observed through the elemental energy dispersive x-ray analysis and wettability tests. We found that treatment applied at 20% duty cycle (effective discharge duration up to 20 s) significantly decreases microbial load without reducing the viability of the seeds. On the other side, seedling growth was considerably accelerated after the treatment, and biometric growth parameters of seedlings (total length, weight, leaf extension) considerably increased compared to the controls. Interestingly, scanning electron microscopy images taken for the different duration of treatment revealed that seed radicle micropylar regions underwent significant morphological changes while the coat was substantially undamaged. Inside the seed, the embryo seemed to be well preserved while the endosperm body was detached from the epithelial tegument. A total of 9 different genera of fungi were recovered from the analyzed seeds. Scanning electron microscopy images revealed that conidia were localized especially in the micropylar region, and after plasma treatment, most of them showed substantial damages. Therefore, the overall effect of the treatment of naturally contaminated seeds by reactive oxygen and nitrogen species produced by plasma and the consequent changes in surface chemistry and microbial load can significantly improve seed vigor.

Tunnel barrier schottky

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

Chu, Rongming; Cao, Yu; Li, Zijian

2018-02-20

A diode includes: a semiconductor substrate; a cathode metal layer contacting a bottom of the substrate; a semiconductor drift layer on the substrate; a graded aluminum gallium nitride (AlGaN) semiconductor barrier layer on the drift layer and having a larger bandgap than the drift layer, the barrier layer having a top surface and a bottom surface between the drift layer and the top surface, the barrier layer having an increasing aluminum composition from the bottom surface to the top surface; and an anode metal layer directly contacting the top surface of the barrier layer.

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

NASA Astrophysics Data System (ADS)

Elsharif, Asma M.

2018-01-01

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

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

Yuan, Bing; Bernstein, Elliot R., E-mail: erb@Colostate.edu

Unimolecular decomposition of nitrogen-rich energetic salt molecules bis(ammonium)5,5′-bistetrazolate (NH{sub 4}){sub 2}BT and bis(triaminoguanidinium) 5,5′-azotetrazolate TAGzT, has been explored via 283 nm laser excitation. The N{sub 2} molecule, with a cold rotational temperature (<30 K), is observed as an initial decomposition product, subsequent to UV excitation. Initial decomposition mechanisms for the two electronically excited salt molecules are explored at the complete active space self-consistent field (CASSCF) level. Potential energy surface calculations at the CASSCF(12,8)/6-31G(d) ((NH{sub 4}){sub 2}BT) and ONIOM (CASSCF/6-31G(d):UFF) (TAGzT) levels illustrate that conical intersections play an essential role in the decomposition mechanism as they provide non-adiabatic, ultrafast radiationless internalmore » conversion between upper and lower electronic states. The tetrazole ring opens on the S{sub 1} excited state surface and, through conical intersections (S{sub 1}/S{sub 0}){sub CI}, N{sub 2} product is formed on the ground state potential energy surface without rotational excitation. The tetrazole rings open at the N2—N3 ring bond with the lowest energy barrier: the C—N ring bond opening has a higher energy barrier than that for any of the N—N ring bonds: this is consistent with findings for other nitrogen-rich neutral organic energetic materials. TAGzT can produce N{sub 2} either by the opening of tetrazole ring or from the N=N group linking its two tetrazole rings. Nonetheless, opening of a tetrazole ring has a much lower energy barrier. Vibrational temperatures of N{sub 2} products are hot based on theoretical predictions. Energy barriers for opening of the tetrazole ring for all the nitrogen-rich energetic materials studied thus far, including both neutral organic molecules and salts, are in the range from 0.31 to 2.71 eV. Energy of the final molecular structure of these systems with dissociated N{sub 2} product is in the range from −1.86 to 3.11 eV. The main difference between energetic salts and neutral nitrogen-rich energetic material is that energetic salts usually have lower excitation energy.« less

A post Gurney quantum mechanical perspective on the electrolysis of water: ion neutralization in solution

NASA Astrophysics Data System (ADS)

Guo, Enyi; McKenzie, David R.

2017-11-01

Electron fluxes crossing the interface between a metallic conductor and an aqueous environment are important in many fields; hydrogen production, environmental scanning tunnelling microscopy, scanning electrochemical microscopy being some of them. Gurney (Gurney 1931 Proc. R. Soc. Lond. 134, 137 (doi:10.1098/rspa.1931.0187)) provided in 1931 a scheme for tunnelling during electrolysis and outlined conditions for it to occur. We measure the low-voltage current flows between gold electrodes in pure water and use the time-dependent behaviour at voltage switch-on and switch-off to evaluate the relative contribution to the steady current arising from tunnelling of electrons between the electrodes and ions in solution and from the neutralization of ions adsorbed onto the electrode surface. We ascribe the larger current contribution to quantum tunnelling of electrons to and from ions in solution near the electrodes. We refine Gurney's barrier scheme to include solvated electron states and quantify energy differences using updated information. We show that Gurney's conditions would prevent the current flow at low voltages we observe but outline how the ideas of Marcus (Marcus 1956 J. Chem. Phys. 24, 966-978 (doi:10.1063/1.1742723)) concerning solvation fluctuations enable the condition to be relaxed. We derive an average barrier tunnelling model and a multiple pathways tunnelling model and compare predictions with measurements of the steady-state current-voltage relation. The tunnelling barrier was found to be wide and low in agreement with other experimental studies. Applications as a biosensing mechanism are discussed that exploit the fast tunnelling pathways along molecules in solution.

A solution-processed binary cathode interfacial layer facilitates electron extraction for inverted polymer solar cells.

PubMed

Zhang, Xinyuan; Li, Zhiqi; Liu, Chunyu; Guo, Jiaxin; Shen, Liang; Guo, Wenbin

2018-03-15

The charge transfer and separation are significantly affected by the electron properties of the interface between the electron-donor layer and the carrier-transporting layer in polymer solar cells (PSCs). In this study, we investigate the electron extraction mechanism of PSCs with a low temperature solution-processed ZnO/PEI as electron transport layer. The incorporation of PEI layer can decrease the work function of ZnO and reduce interfacial barrier, which facilitates electron extraction and suppresses bimolecular recombination, leading to a significant performance enhancement. Furthermore, PEI layer can induce phase separation and passivite inorganic surface trap states as well as shift the interfacial energy offset between metal oxide and organic materials. This work offers a simple and effective way to improve the charge transporting property of organic photovoltaic devices. Copyright © 2017 Elsevier Inc. All rights reserved.

Hot Electron Injection into Uniaxially Strained Silicon

NASA Astrophysics Data System (ADS)

Kim, Hyun Soo

In semiconductor spintronics, silicon attracts great attention due to the long electron spin lifetime. Silicon is also one of the most commonly used semiconductor in microelectronics industry. The spin relaxation process of diamond crystal structure such as silicon is dominant by Elliot-Yafet mechanism. Yafet shows that intravalley scattering process is dominant. The conduction electron spin lifetime measured by electron spin resonance measurement and electronic measurement using ballistic hot electron method well agrees with Yafet's theory. However, the recent theory predicts a strong contribution of intervalley scattering process such as f-process in silicon. The conduction band minimum is close the Brillouin zone edge, X point which causes strong spin mixing at the conduction band. A recent experiment of electric field-induced hot electron spin relaxation also shows the strong effect of f-process in silicon. In uniaxially strained silicon along crystal axis [100], the suppression of f-process is predicted which leads to enhance electron spin lifetime. By inducing a change in crystal structure due to uniaxial strain, the six fold degeneracy becomes two fold degeneracy, which is valley splitting. As the valley splitting increases, intervalley scattering is reduced. A recent theory predicts 4 times longer electron spin lifetime in 0.5% uniaxially strained silicon. In this thesis, we demonstrate ballistic hot electron injection into silicon under various uniaxial strain. Spin polarized hot electron injection under strain is experimentally one of the most challenging part to measure conduction electron spin lifetime in silicon. Hot electron injection adopts tunnel junction which is a thin oxide layer between two conducting materials. Tunnel barrier, which is an oxide layer, is only 4 ˜ 5 nm thick. Also, two conducting materials are only tens of nanometer. Therefore, under high pressure to apply 0.5% strain on silicon, thin films on silicon substrate can be easily destroyed. In order to confirm the performance of tunnel junction, we use tunnel magnetoresistance(TMR). TMR consists of two kinds of ferromagnetic materials and an oxide layer as tunnel barrier in order to measure spin valve effect. Using silicon as a collector with Schottky barrier interface between metal and silicon, ballistic hot spin polarized electron injection into silicon is demonstrated. We also observed change of coercive field and magnetoresistance due to modification of local states in ferromagnetic materials and surface states at the interface between metal and silicon due to strain.

Direct determination of energy level alignment and charge transport at metal-Alq3 interfaces via ballistic-electron-emission spectroscopy.

PubMed

Jiang, J S; Pearson, J E; Bader, S D

2011-04-15

Using ballistic-electron-emission spectroscopy (BEES), we directly determined the energy barrier for electron injection at clean interfaces of Alq(3) with Al and Fe to be 2.1 and 2.2 eV, respectively. We quantitatively modeled the sub-barrier BEES spectra with an accumulated space charge layer, and found that the transport of nonballistic electrons is consistent with random hopping over the injection barrier.

Direct determination of energy level alignment and charge transport at metal/Alq{sub 3} interfaces via ballistic-electron-emission spectroscopy.

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

Jiang, J. S.; Pearson, J. E.; Bader, S. D.

2011-04-15

Using ballistic-electron-emission spectroscopy (BEES), we directly determined the energy barrier for electron injection at clean interfaces of Alq{sub 3} with Al and Fe to be 2.1 and 2.2 eV, respectively. We quantitatively modeled the sub-barrier BEES spectra with an accumulated space charge layer, and found that the transport of nonballistic electrons is consistent with random hopping over the injection barrier.

Electronic Devices with Strontium Barrier Film and Process for Making Same

DTIC Science & Technology

1998-08-20

structure of the barrier film on an atomic level where the barrier film is comprised of a plurality of contiguous monolayers, while FIG. 7B shows another...another embodiment where the barrier film is comprised of a plurality of contiguous monolayers in which different monolayers thereof are formed of...High Energy Electron 10 Diffraction (RHEED) diagnostic system directed toward the substrate 26. A diffusion barrier precursor compound effusion

Electronic Devices with Composite Atomic Barrier Film and Process for Making Same

DTIC Science & Technology

1998-08-20

structure of the barrier film on an atomic level where the barrier film is comprised of a plurality of contiguous monolayers, while FIG. 7B shows...another embodiment where the barrier film is comprised of a plurality of contiguous monolayers in which different monolayers thereof are formed of...High Energy Electron 10 Diffraction (RHEED) diagnostic system directed toward the substrate 26. A diffusion barrier precursor compound effusion

Nanomechanical Behavior of High Gas Barrier Multilayer Thin Films.

PubMed

Humood, Mohammad; Chowdhury, Shahla; Song, Yixuan; Tzeng, Ping; Grunlan, Jaime C; Polycarpou, Andreas A

2016-05-04

Nanoindentation and nanoscratch experiments were performed on thin multilayer films manufactured using the layer-by-layer (LbL) assembly technique. These films are known to exhibit high gas barrier, but little is known about their durability, which is an important feature for various packaging applications (e.g., food and electronics). Films were prepared from bilayer and quadlayer sequences, with varying thickness and composition. In an effort to evaluate multilayer thin film surface and mechanical properties, and their resistance to failure and wear, a comprehensive range of experiments were conducted: low and high load indentation, low and high load scratch. Some of the thin films were found to have exceptional mechanical behavior and exhibit excellent scratch resistance. Specifically, nanobrick wall structures, comprising montmorillonite (MMT) clay and polyethylenimine (PEI) bilayers, are the most durable coatings. PEI/MMT films exhibit high hardness, large elastic modulus, high elastic recovery, low friction, low scratch depth, and a smooth surface. When combined with the low oxygen permeability and high optical transmission of these thin films, these excellent mechanical properties make them good candidates for hard coating surface-sensitive substrates, where polymers are required to sustain long-term surface aesthetics and quality.

Formation mechanism of dot-line square superlattice pattern in dielectric barrier discharge

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

Liu, Weibo; Dong, Lifang, E-mail: donglfhbu@163.com, E-mail: pyy1616@163.com; Wang, Yongjie

We investigate the formation mechanism of the dot-line square superlattice pattern (DLSSP) in dielectric barrier discharge. The spatio-temporal structure studied by using the intensified-charge coupled device camera shows that the DLSSP is an interleaving of three different subpatterns in one half voltage cycle. The dot square lattice discharges first and, then, the two kinds of line square lattices, which form square grid structures discharge twice. When the gas pressure is varied, DLSSP can transform from square superlattice pattern (SSP). The spectral line profile method is used to compare the electron densities, which represent the amounts of surface charges qualitatively. Itmore » is found that the amount of surface charges accumulated by the first discharge of DLSSP is less than that of SSP, leading to a bigger discharge area of the following discharge (lines of DLSSP instead of halos of SSP). The spatial distribution of the electric field of the surface charges is simulated to explain the formation of DLSSP. This paper may provide a deeper understanding for the formation mechanism of complex superlattice patterns in DBD.« less

Elimination of diazinon insecticide from cucumber surface by atmospheric pressure air-dielectric barrier discharge plasma.

PubMed

Dorraki, Naghme; Mahdavi, Vahideh; Ghomi, Hamid; Ghasempour, Alireza

2016-12-06

The food industry is in a constant search for new technologies to improve the commercial sterilization process of agricultural commodities. Plasma treatment may offer a novel and efficient method for pesticide removal from agricultural product surfaces. To study the proposed technique of plasma food treatment, the degradation behavior of diazinon insecticide by air-dielectric barrier discharge (DBD) plasma was investigated. The authors studied the effect of different plasma powers and treatment times on pesticide concentration in liquid form and coated on the surface of cucumbers, where the diazinon residue was analyzed with mass spectroscopy gas chromatography. Our results suggest that atmospheric pressure air-DBD plasma is potentially effective for the degradation of diazinon insecticide, and mainly depends on related operating parameters, including plasma treatment time, discharge power, and pesticide concentrations. Based on the interaction between reactive oxygen species and electrons in the plasma with the diazinon molecule, two degradation pathway of diazinon during plasma treatment are proposed. It was also found that produced organophosphate pesticides are harmless and less hazardous compounds than diazinon.

Organic Field Effect Transistors for Large Format Electronics

DTIC Science & Technology

2003-06-19

calculated output characteristics for a p-channel substrate insulator Organic layer Source Drain Gate 6 pentacene OFET with 2µm source to drain spacing...conventional transistors. Figure 3. Calculated output characteristics of a pentacene OFET with image charge induced contact barrier...Cross section view of a part of an OFET in the vicinity of a source or drain contact. local ordering due to surface energy effects. The development of

Formation of ferrihydrite and associated iron corrosion products in permeable reactive barriers of zero-valent iron.

PubMed

Furukawa, Yoko; Kim, Jin-Wook; Watkins, Janet; Wilkin, Richard T

2002-12-15

Ferrihydrite, which is known to form in the presence of oxygen and to be stabilized by the adsorption of Si, PO4 and SO4, is ubiquitous in the fine-grained fractions of permeable reactive barrier (PRB) samples from the U.S. Coast Guard Support Center (Elizabeth City, NC) and the Denver Federal Center (Lakewood, CO) studied by high-resolution transmission electron microscopy and selected area electron diffraction. The concurrent energy-dispersive X-ray data indicate a strong association between ferrihydrite and metals such as Si, Ca, and Cr. Magnetite, green rust 1, aragonite, calcite, mackinawite, greigite and lepidocrocite were also present, indicative of a geochemical environment that is temporally and spatially heterogeneous. Whereas magnetite, which is known to form due to anaerobic Fe0 corrosion, passivates the Fe0 surface, ferrihydrite precipitation occurs away from the immediate Fe0 surface, forming small (<0.1 microm) discrete clusters. Consequently, Fe0-PRBs may remain effective for a longer period of time in slightly oxidized groundwater systems where ferrihydrite formation occurs compared to oxygen-depleted systems where magnetite passivation occurs. The ubiquitous presence of ferrihydrite suggests that the use of Fe0-PRBs may be extended to applications that require contaminant adsorption rather than, or in addition to, redox-promoted contaminant degradation.

Gold nanoparticles deposited on linker-free silicon substrate and embedded in aluminum Schottky contact.

PubMed

Gorji, Mohammad Saleh; Razak, Khairunisak Abdul; Cheong, Kuan Yew

2013-10-15

Given the enormous importance of Au nanoparticles (NPs) deposition on Si substrates as the precursor for various applications, we present an alternative approach to deposit Au NPs on linker-free n- and p-type Si substrates. It is demonstrated that, all conditions being similar, there is a significant difference between densities of the deposited NPs on both substrates. The Zeta-potential and polarity of charges surrounding the hydroxylamine reduced seeded growth Au NPs, are determined by a Zetasizer. To investigate the surface properties of Si substrates, contact angle measurement is performed. Field-emission scanning electron microscope is then utilized to distinguish the NPs density on the substrates. Finally, Al/Si Schottky barrier diodes with embedded Au NPs are fabricated, and their structural and electrical characteristics are further evaluated using an energy-filtered transmission electron microscope and current-voltage measurements, respectively. The results reveal that the density of NPs is significantly higher on n-type Si substrate and consequently has more pronounced effects on the electrical characteristics of the diode. It is concluded that protonation of Si-OH group on Si surface in low pH is responsible for the immobilization of Au NPs, which eventually contributes to the lowering of barrier height and enhances the electrical characteristics. Copyright © 2013 Elsevier Inc. All rights reserved.

Nanoprobe studies: Electrical transport in carbon nanotubes and crystal structure of aluminum nitride surfaces

NASA Astrophysics Data System (ADS)

Biswas, Sujit Kumar

Nanoprobes are an extraordinary set of experimental tools that allow fabrication, manipulation, and measurement in nano-scale systems. The primary use of a nanoprobe for imaging tiny objects is supplemented by powerful electrical techniques, namely scanning surface potential microscopy and current sensing atomic force microscopy. They allow us to measure potential, and current in carbon nanotube circuits. Nanoprobes are superior to conventional two- or four-probe measurements because they can provide spatial information of local electronic properties. This makes them highly attractive in studying junctions and contacts with carbon nanotubes. We have studied single-walled carbon nanotube circuits, forming junctions to other nanotubes. The experimental results indicate that these junctions act like potential barriers of about 50 meV that can confine electrons with an effective mass of 0.003 me , within nanotube channels of length 0.5 mum lying in-between two such potential barriers. This leads to quantization of the channel, forming a resonant tunneling structure. We have also found that single-walled nanotubes have phase coherence lengths of the order of 1 mum. This leads to situations where the electron interference effects at scattering centers need to be considered. We have seen direct evidence of this, in the non-linear resistance increase within nanotubes with few defects. Ambipolar transistor behavior was measured in a p-type single-walled nanotube circuit that showed electron injection across the Schottky junction at high positive bias. We have also studied multi-walled carbon nanotube circuits using scanning potential microscopy, and found that a back gate potential can vary the resistance of the channel. Vertical nanotube arrays, suitable for interconnects, were also measured. These hollow multi-walled nanotube channels were about 45 nm in diameter, and 50 mum in length, fabricated in an anodized alumina template. We found that these structures could sustain current densities greater than 105 A/cm2. Conventional use of nanoprobes in imaging aluminum nitride surfaces displayed curious step bunching structures. We have used an innovative analysis technique with which the bulk lattice constant of the crystal was measured to an accuracy of about 4% of X-ray crystallography value of 0.497 nm. In addition, this technique showed that there were regions on the surface that had a larger lattice parameter of 0.64 nm, which we interpreted to be due to a variation in the chemical composition of the surface such as oxide formation. We believe that this technique may prove useful as a study of chemical-composition variations on a surface as well as relaxation of the surface layer.

2D Thermoluminescence imaging of dielectric surface long term charge memory of plasma surface interaction in DBD discharges

NASA Astrophysics Data System (ADS)

Ambrico, Paolo F.; Ambrico, Marianna; Schiavulli, Luigi; De Benedictis, Santolo

2014-07-01

The charge trapping effect due to the exposure of alumina surfaces to plasma has been studied in a volume dielectric barrier discharge (DBD) in Ar and He noble gases. The long lasting charge trapping of alumina dielectric plates, used as barriers in DBDs, is evidenced by an ex situ thermoluminescence (TL) experiment performed with a standard and a custom two-dimensional (2D)-TL apparatus. The spatial density of trapped surface charges is found to be strongly correlated to the plasma morphology, and the surface spatial memory lasted for several minutes to hours after plasma exposure. In the case of Ar, the plasma channel impact signature on the surface shows a higher equivalent radiation dose with respect to the surface plasma wave and the post-discharge species signature. As a consequence, for the development of discharges, inside the dielectric surface the availability of lower energy trapped electrons is larger in the first region of plasma impact. The reported spatial memory increases the likelihood of the occurrence of plasma filaments in the same position in different runs. In He plasmas, the dielectric barrier shows an almost uniform distribution of trapped charges, meaning that there is no preferred region for the development of the discharge. In all cases a slight asymmetry was shown in the direction of the gas flow. This can be interpreted as being due to the long-living species moving in the direction of the gas flow, corresponding with the TL side experiment on the sample exposed to the plasma afterglow. The maximum values and the integral of the 2D-TL images showed a linear relation with the total charge per ac cycle, corresponding with findings for the TL glow curve. In conclusion, 2D-TL images allow the retrieval of information regarding the plasma surface interaction such as the plasma morphology, trap sites and their activation temperature.

InGaN/GaN multilayer quantum dots yellow-green light-emitting diode with optimized GaN barriers.

PubMed

Lv, Wenbin; Wang, Lai; Wang, Jiaxing; Hao, Zhibiao; Luo, Yi

2012-11-07

InGaN/GaN multilayer quantum dot (QD) structure is a potential type of active regions for yellow-green light-emitting diodes (LEDs). The surface morphologies and crystalline quality of GaN barriers are critical to the uniformity of InGaN QD layers. While GaN barriers were grown in multi-QD layers, we used improved growth parameters by increasing the growth temperature and switching the carrier gas from N2 to H2 in the metal organic vapor phase epitaxy. As a result, a 10-layer InGaN/GaN QD LED is demonstrated successfully. The transmission electron microscopy image shows the uniform multilayer InGaN QDs clearly. As the injection current increases from 5 to 50 mA, the electroluminescence peak wavelength shifts from 574 to 537 nm.

InGaN/GaN multilayer quantum dots yellow-green light-emitting diode with optimized GaN barriers

PubMed Central

2012-01-01

InGaN/GaN multilayer quantum dot (QD) structure is a potential type of active regions for yellow-green light-emitting diodes (LEDs). The surface morphologies and crystalline quality of GaN barriers are critical to the uniformity of InGaN QD layers. While GaN barriers were grown in multi-QD layers, we used improved growth parameters by increasing the growth temperature and switching the carrier gas from N2 to H2 in the metal organic vapor phase epitaxy. As a result, a 10-layer InGaN/GaN QD LED is demonstrated successfully. The transmission electron microscopy image shows the uniform multilayer InGaN QDs clearly. As the injection current increases from 5 to 50 mA, the electroluminescence peak wavelength shifts from 574 to 537 nm. PMID:23134721

Enhanced radial growth of Mg doped GaN nanorods: A combined experimental and first-principles study

NASA Astrophysics Data System (ADS)

Nayak, Sanjay; Kumar, Rajendra; Pandey, Nidhi; Nagaraja, K. K.; Gupta, Mukul; Shivaprasad, S. M.

2018-04-01

We discuss the microstructural origin of enhanced radial growth in magnesium (Mg) doped single crystalline wurtzite gallium nitride (w-GaN) nanorods (NRs) grown by MBE, using electron microscopy and first-principles Density Functional Theory calculations. Experimentally, we observe that Mg incorporation increases the surface coverage of the grown samples as a consequence of an increase in the radial growth rate of the NRs. We also observe that the coalescence of NRs becomes prominent and the height at which coalescence between proximal rods occurs decreases with increase in Mg concentration. From first-principles calculations, we find that the surface free energy of the Mg doped surface reduces with increasing Mg concentration in the samples. The calculations further suggest a reduction in the adsorption energy and the diffusion barrier of Ga adatoms along [ 11 2 ¯ 0 ] on the side wall surface of the NRs as the underlying mechanism for the observed enhancement in the radial growth rate of GaN NRs. The physics and chemistry behind reduction of the adsorption energy of Ga ad-atoms on the doped surface are explained in the light of electronic structure of the relevant surfaces.

Patterning of graphene for flexible electronics with remote atmospheric-pressure plasma using dielectric barrier

NASA Astrophysics Data System (ADS)

Kim, Duk Jae; Park, Jeongwon; Geon Han, Jeon

2016-08-01

We show results of the patterning of graphene layers on poly(ethylene terephthalate) (PET) films through remote atmospheric-pressure dielectric barrier discharge plasma. The size of plasma discharge electrodes was adjusted for large-area and role-to-role-type substrates. Optical emission spectroscopy (OES) was used to analyze the characteristics of charge species in atmospheric-pressure plasma. The OES emission intensity of the O2* peaks (248.8 and 259.3 nm) shows the highest value at the ratio of \\text{N}2:\\text{clean dry air (CDA)} = 100:1 due to the highest plasma discharge. The PET surface roughness and hydrophilic behavior were controlled with CDA flow rate during the process. Although the atmospheric-pressure plasma treatment of the PET film led to an increase in the FT-IR intensity of C-O bonding at 1240 cm-1, the peak intensity at 1710 cm-1 (C=O bonding) decreased. The patterning of graphene layers was confirmed by scanning electron microscopy and Raman spectroscopy.

Thin film electronic devices with conductive and transparent gas and moisture permeation barriers

DOEpatents

Simpson, Lin Jay

2013-12-17

A thin film stack (100, 200) is provided for use in electronic devices such as photovoltaic devices. The stack (100, 200) may be integrated with a substrate (110) such as a light transmitting/transmissive layer. A electrical conductor layer (120, 220) is formed on a surface of the substrate (110) or device layer such as a transparent conducting (TC) material layer (120,220) with pin holes or defects (224) caused by manufacturing. The stack (100) includes a thin film (130, 230) of metal that acts as a barrier for environmental contaminants (226, 228). The metal thin film (130,230) is deposited on the conductor layer (120, 220) and formed from a self-healing metal such as a metal that forms self-terminating oxides. A permeation plug or block (236) is formed in or adjacent to the thin film (130, 230) of metal at or proximate to the pin holes (224) to block further permeation of contaminants through the pin holes (224).

Analysis of differential and active charging phenomena on ATS-5 and ATS-6

NASA Technical Reports Server (NTRS)

Olsen, R. C.; Whipple, E. C., Jr.

1980-01-01

Spacecraft charging on the differential charging and artificial particle emission experiments on ATS 5 and ATS 6 were studied. Differential charging of spacecraft surfaces generated large electrostatic barriers to spacecraft generated electrons, from photoemission, secondary emission, and thermal emitters. The electron emitter could partially or totally discharge the satellite, but the mainframe recharged negatively in a few 10's of seconds. The time dependence of the charging behavior was explained by the relatively large capacitance for differential charging in comparison to the small spacecraft to space capacitance. A daylight charging event on ATS 6 was shown to have a charging behavior suggesting the dominance of differential charging on the absolute potential of the mainframe. Ion engine operations and plasma emission experiments on ATS 6 were shown to be an effective means of controlling the spacecraft potential in eclipse and sunlight. Elimination of barrier effects around the detectors and improving the quality of the particle data are discussed.

Ab initio study of C + H3+ reactions

NASA Technical Reports Server (NTRS)

Talbi, D.; DeFrees, D. J.

1991-01-01

The reaction C + H3+ --> CH(+) + H2 is frequently used in models of dense interstellar cloud chemistry with the assumption that it is fast, i.e. there are no potential energy barriers inhibiting it. Ab initio molecular orbital study of the triplet CH3+ potential energy surface (triplet because the reactant carbon atom is a ground state triplet) supports this hypothesis. The reaction product is 3 pi CH+; the reaction is to exothermic even though the product is not in its electronic ground state. No path has been found on the potential energy surface for C + H3+ --> CH2(+) + H reaction.

Conformable actively multiplexed high-density surface electrode array for brain interfacing

DOEpatents

Rogers, John; Kim, Dae-Hyeong; Litt, Brian; Viventi, Jonathan

2015-01-13

Provided are methods and devices for interfacing with brain tissue, specifically for monitoring and/or actuation of spatio-temporal electrical waveforms. The device is conformable having a high electrode density and high spatial and temporal resolution. A conformable substrate supports a conformable electronic circuit and a barrier layer. Electrodes are positioned to provide electrical contact with a brain tissue. A controller monitors or actuates the electrodes, thereby interfacing with the brain tissue. In an aspect, methods are provided to monitor or actuate spatio-temporal electrical waveform over large brain surface areas by any of the devices disclosed herein.

Sticking non-stick: Surface and Structure control of Diamond-like Carbon in Plasma Enhanced Chemical Vapour Deposition

NASA Astrophysics Data System (ADS)

Jones, B. J.; Nelson, N.

2016-10-01

This short review article explores the practical use of diamond-like carbon (DLC) produced by plasma enhanced chemical vapour deposition (PECVD). Using as an example issues relating to the DLC coating of a hand-held surgical device, we draw on previous works using atomic force microscopy, X-ray photoelectron spectroscopy, Raman spectroscopy, scanning electron microscopy, tensiometry and electron paramagnetic resonance. Utilising data from these techniques, we examine the surface structure, substrate-film interface and thin film microstructure, such as sp2/sp3 ratio (graphitic/diamond-like bonding ratio) and sp2 clustering. We explore the variations in parameters describing these characteristics, and relate these to the final device properties such as friction, wear resistance, and diffusion barrier integrity. The material and device characteristics are linked to the initial plasma and substrate conditions.

Water Adsorption and Dissociation on Ceria-Supported Single-Atom Catalysts: A First-Principles DFT+U Investigation.

PubMed

Han, Zhong-Kang; Gao, Yi

2016-02-01

Single-atom catalysts have attracted wide attention owing to their extremely high atom efficiency and activities. In this paper, we applied density functional theory with the inclusion of the on-site Coulomb interaction (DFT+U) to investigate water adsorption and dissociation on clean CeO 2 (111) surfaces and single transition metal atoms (STMAs) adsorbed on the CeO 2 (111) surface. It is found that the most stable water configuration is molecular adsorption on the clean CeO 2 (111) surface and dissociative adsorption on STMA/CeO 2 (111) surfaces, respectively. In addition, our results indicate that the more the electrons that transfer from STMA to the ceria substrate, the stronger the binding energies between the STMA and ceria surfaces. A linear relationship is identified between the water dissociation barriers and the d band centers of STMA, known as the generalized Brønsted-Evans-Polanyi principle. By combining the oxygen spillovers, single-atom dispersion stabilities, and water dissociation barriers, Zn, Cr, and V are identified as potential candidates for the future design of ceria-supported single-atom catalysts for reactions in which the dissociation of water plays an important role, such as the water-gas shift reaction. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electronic health records: eliciting behavioral health providers' beliefs.

PubMed

Shank, Nancy; Willborn, Elizabeth; Pytlikzillig, Lisa; Noel, Harmonijoie

2012-04-01

Interviews with 32 community behavioral health providers elicited perceived benefits and barriers of using electronic health records. Themes identified were (a) quality of care, (b) privacy and security, and (c) delivery of services. Benefits to quality of care were mentioned by 100% of the providers, and barriers by 59% of providers. Barriers involving privacy and security concerns were mentioned by 100% of providers, and benefits by 22%. Barriers to delivery of services were mentioned by 97% of providers, and benefits by 66%. Most providers (81%) expressed overall positive support for electronic behavioral health records.

Photoemission studies of CdTe(100) and the Ag-CdTe(100) interface: Surface structure, growth behavior, Schottky barrier, and surface photovoltage

NASA Astrophysics Data System (ADS)

John, P.; Miller, T.; Hsieh, T. C.; Shapiro, A. P.; Wachs, A. L.; Chiang, T.-C.

1986-11-01

The clean CdTe(100) surface prepared by sputtering and annealing was studied with high-energy electron diffraction (HEED) and photoemission. HEED showed the surface to be a one-domain, (2×1) reconstruction. Photoemission spectra showed two surface-shifted components for the Cd 4d core level, with an intensity ratio of about 1:3, accounting for nearly an entire atomic layer. No surface-induced shifts for the Te 4d core level were detected. A model is proposed for the surface structure in which the surface layer is free of Te, and Cd atoms form dimers resulting in a (2×1) reconstruction; in addition, about (1/4) of the surface area is covered by excess loosely attached Cd atoms. Ag was evaporated on the surface at room temperature and found to grow three dimensionally in the [111] direction. The Ag was found to interact only weakly with the substrate, although the Cd atoms originally loosely bound on top of the surface were found to float on the evaporated Ag islands. A small coverage-dependent surface photovoltage, induced by the synchrotron radiation used for photoemission, was observed; with this effect taken into account, band bending was monitored, the final Fermi-level position being near 0.96 eV above the valence-band maximum. This corresponds to a Schottky-barrier height of about 0.60 eV for the n-type sample used in this experiment. The mechanism for generation of the surface photovoltage will be discussed.

Liquid-Infused Smooth Surface for Improved Condensation Heat Transfer.

PubMed

Tsuchiya, Hirotaka; Tenjimbayashi, Mizuki; Moriya, Takeo; Yoshikawa, Ryohei; Sasaki, Kaichi; Togasawa, Ryo; Yamazaki, Taku; Manabe, Kengo; Shiratori, Seimei

2017-09-12

Control of vapor condensation properties is a promising approach to manage a crucial part of energy infrastructure conditions. Heat transfer by vapor condensation on superhydrophobic coatings has garnered attention, because dropwise condensation on superhydrophobic surfaces with rough structures leads to favorable heat-transfer performance. However, pinned condensed water droplets within the rough structure and a high thermodynamic energy barrier for nucleation of superhydrophobic surfaces limit their heat-transfer increase. Recently, slippery liquid-infused surfaces (SLIPS) have been investigated, because of their high water sliding ability and surface smoothness originating from the liquid layer. However, even on SLIPS, condensed water droplets are eventually pinned to degrade their heat-transfer properties after extended use, because the rough base layer is exposed as infused liquid is lost. Herein, we report a liquid-infused smooth surface named "SPLASH" (surface with π electron interaction liquid adsorption, smoothness, and hydrophobicity) to overcome the problems derived from the rough structures in previous approaches to obtain stable, high heat-transfer performance. The SPLASH displayed a maximum condensation heat-transfer coefficient that was 175% higher than that of an uncoated substrate. The SPLASH also showed higher heat-transfer performance and more stable dropwise condensation than superhydrophobic surfaces and SLIPS from the viewpoints of condensed water droplet mobility and the thermodynamic energy barrier for nucleation. The effects of liquid-infused surface roughness and liquid viscosity on condensation heat transfer were investigated to compare heat-transfer performance. This research will aid industrial applications using vapor condensation.

General relation between the group delay and dwell time in multicomponent electron systems

NASA Astrophysics Data System (ADS)

Zhai, Feng; Lu, Junqiang

2016-10-01

For multicomponent electron scattering states, we derive a general relation between the Wigner group delay and the Bohmian dwell time. It is found that the definition of group delay should account for the phase of the spinor wave functions of propagating modes. The difference between the group delay and dwell time comes from both the interference delay and the decaying modes. For barrier tunneling of helical electrons on a surface of topological insulators, our calculations including the trigonal-warping term show that the decaying modes can contribute greatly to the group delay. The derived relation between the group delay and the dwell time is helpful to unify the two definitions of tunneling time in a quite general situation.

Spintronic signatures of Klein tunneling in topological insulators

NASA Astrophysics Data System (ADS)

Xie, Yunkun; Tan, Yaohua; Ghosh, Avik W.

2017-11-01

Klein tunneling, the perfect transmission of normally incident Dirac electrons across a potential barrier, has been widely studied in graphene and explored to design switches, albeit indirectly. We show an alternative way to directly measure Klein tunneling for spin-momentum locked electrons crossing a PN junction along a three-dimensional topological insulator surface. In these topological insulator PN junctions (TIPNJs), the spin texture and momentum distribution of transmitted electrons can be measured electrically using a ferromagnetic probe for varying gate voltages and angles of current injection. Based on transport models across a TIPNJ, we show that the asymmetry in the potentiometric signal between PP and PN junctions and its overall angular dependence serve as a direct signature of Klein tunneling.

Room-temperature Coulomb staircase in semiconducting InP nanowires modulated with light illumination.

PubMed

Yamada, Toshishige; Yamada, Hidenori; Lohn, Andrew J; Kobayashi, Nobuhiko P

2011-02-04

Detailed electron transport analysis is performed for an ensemble of conical indium phosphide nanowires bridging two hydrogenated n(+)-silicon electrodes. The current-voltage (I-V) characteristics exhibit a Coulomb staircase in the dark with a period of ∼ 1 V at room temperature. The staircase is found to disappear under light illumination. This observation can be explained by assuming the presence of a tiny Coulomb island, and its existence is possible due to the large surface depletion region created within contributing nanowires. Electrons tunnel in and out of the Coulomb island, resulting in the Coulomb staircase I-V. Applying light illumination raises the electron quasi-Fermi level and the tunneling barriers are buried, causing the Coulomb staircase to disappear.

Ballistic Electron Emission Microscopy Studies of Ferromagnet - Semiconductor Interfaces

NASA Astrophysics Data System (ADS)

Mather, P. G.; Perrella, A. C.; Yurtsever, A.; Buhrman, R. A.

2004-03-01

Devices that employ spin as well as charge effects have been the subjects of extensive study recently. The magnetic tunneling transistor (1) is one important device that demonstrates an electrical means of injecting spin-polarized electrons into a semiconductor. A Schottky barrier lies at the heart of the device, and a high quality spatially homogenous and uniform barrier formed on GaAs is highly desirable. We have used ballistic electron emission microscopy (BEEM) to study CoFe, Fe and permalloy deposited on a GaAs substrate to give nanometer resolved evaluation of hot electron transport through the films and across the Schottky barrier. All films give a homogenous, uniform barrier as compared with evaporated Au/GaAs and Ag/GaAs interfaces. We will report on BEEM measurements of the hot electron transfer ratio across the Schottky barrier for the different ferromagnetic materials, and on the energy and spin-dependent hot electron attenuation lengths of the CoFe, Fe, and permalloy films. (1) Sebastiaan van Dijken, Xin Jiang, Stuart S. P. Parkin, APL, 80, 3364.

Determining the Critical Dose Threshold of Electron-Induced Electron Yield for Minimally Charged Highly Insulating Materials

NASA Astrophysics Data System (ADS)

Hoffmann, Ryan; Dennison, J. R.; Abbott, Jonathan

2006-03-01

When incident energetic electrons interact with a material, they excite electrons within the material to escape energies. The electron emission is quantified as the ratio of emitted electrons to incident particle flux, termed electron yield. Measuring the electron yield of insulators is difficult due to dynamic surface charge accumulation which directly affects landing energies and the potential barrier that emitted electrons must overcome. Our recent measurements of highly insulating materials have demonstrated significant changes in total yield curves and yield decay curves for very small electron doses equivalent to a trapped charge density of <10^10 electrons /cm^3. The Chung-Everhart theory provides a basic model for the behavior of the electron emission spectra which we relate to yield decay curves as charge is allowed to accumulate. Yield measurements as a function of dose for polyimide (Kapton^TM) and microcrystalline SiO2 will be presented. We use our data and model to address the question of whether there is a minimal dose threshold at which the accumulated charge no longer affects the yield.

Thermal barriers for compartments

DOEpatents

Kreutzer, Cory J.; Lustbader, Jason A.

2017-10-17

An aspect of the present disclosure is a thermal barrier that includes a core layer having a first surface, a second surface, and a first edge, and a first outer layer that includes a third surface and a second edge, where the third surface substantially contacts the first surface, the core layer is configured to minimize conductive heat transfer through the barrier, and the first outer layer is configured to maximize reflection of light away from the barrier.

On Substrate for Atomic Chain Electronics

NASA Technical Reports Server (NTRS)

Yamada, Toshishige; Bauschlicher, Charles W., Jr.; Partridge, Harry; Saini, Subhash (Technical Monitor)

1998-01-01

A substrate for future atomic chain electronics, where adatoms are placed at designated positions and form atomically precise device components, is studied theoretically. The substrate has to serve as a two-dimensional template for adatom mounting with a reasonable confinement barrier and also provide electronic isolation, preventing unwanted coupling between independent adatom structures. However, the two requirements conflict. For excellent electronic isolation, we may seek adatom confinement via van der Waals interaction without chemical bonding to the substrate atoms, but the confinement turns out to be very weak and hence unsatisfactory. An alternative chemical bonding scheme with excellent structural strength is examined, but even fundamental adatom chain properties such as whether chains are semiconducting or metallic are strongly influenced by the nature of the chemical bonding, and electronic isolation is not always achieved. Conditions for obtaining semiconducting chains with well-localized surface-modes, leading to good isolation, are clarified and discussed.

Substrate Effects for Atomic Chain Electronics

NASA Technical Reports Server (NTRS)

Yamada, Toshishige; Saini, Subhash (Technical Monitor)

1998-01-01

A substrate for future atomic chain electronics, where adatoms are placed at designated positions and form atomically precise device components, is studied theoretically. The substrate has to serve as a two-dimensional template for adatom mounting with a reasonable confinement barrier and also provide electronic isolation, preventing unwanted coupling between independent adatom structures. For excellent structural stability, we demand chemical bonding between the adatoms and substrate atoms, but then good electronic isolation may not be guaranteed. Conditions are clarified for good isolation. Because of the chemical bonding, fundamental adatom properties are strongly influenced: a chain with group IV adatoms having two chemical bonds, or a chain with group III adatoms having one chemical bond is semiconducting. Charge transfer from or to the substrate atoms brings about unintentional doping, and the electronic properties have to be considered for the entire combination of the adatom and substrate systems even if the adatom modes are well localized at the surface.

Electron transfer from a carbon nanotube into vacuum under high electric fields

NASA Astrophysics Data System (ADS)

Filip, L. D.; Smith, R. C.; Carey, J. D.; Silva, S. R. P.

2009-05-01

The transfer of an electron from a carbon nanotube (CNT) tip into vacuum under a high electric field is considered beyond the usual one-dimensional semi-classical approach. A model of the potential energy outside the CNT cap is proposed in order to show the importance of the intrinsic CNT parameters such as radius, length and vacuum barrier height. This model also takes into account set-up parameters such as the shape of the anode and the anode-to-cathode distance, which are generically portable to any modelling study of electron emission from a tip emitter. Results obtained within our model compare well to experimental data. Moreover, in contrast to the usual one-dimensional Wentzel-Kramers-Brillouin description, our model retains the ability to explain non-standard features of the process of electron field emission from CNTs that arise as a result of the quantum behaviour of electrons on the surface of the CNT.

A thin polymer membrane, nano-suit, enhancing survival across the continuum between air and high vacuum

PubMed Central

Takaku, Yasuharu; Suzuki, Hiroshi; Ohta, Isao; Ishii, Daisuke; Muranaka, Yoshinori; Shimomura, Masatsugu; Hariyama, Takahiko

2013-01-01

Most multicellular organisms can only survive under atmospheric pressure. The reduced pressure of a high vacuum usually leads to rapid dehydration and death. Here we show that a simple surface modification can render multicellular organisms strongly tolerant to high vacuum. Animals that collapsed under high vacuum continued to move following exposure of their natural extracellular surface layer (or that of an artificial coat-like polysorbitan monolaurate) to an electron beam or plasma ionization (i.e., conditions known to enhance polymer formation). Transmission electron microscopic observations revealed the existence of a thin polymerized extra layer on the surface of the animal. The layer acts as a flexible “nano-suit” barrier to the passage of gases and liquids and thus protects the organism. Furthermore, the biocompatible molecule, the component of the nano-suit, was fabricated into a “biomimetic” free-standing membrane. This concept will allow biology-related fields especially to use these membranes for several applications. PMID:23589878

Time-dependent one-dimensional simulation of atmospheric dielectric barrier discharge in N2/O2/H2O using COMSOL Multiphysics

NASA Astrophysics Data System (ADS)

Sohbatzadeh, F.; Soltani, H.

2018-04-01

The results of time-dependent one-dimensional modelling of a dielectric barrier discharge (DBD) in a nitrogen-oxygen-water vapor mixture at atmospheric pressure are presented. The voltage-current characteristics curves and the production of active species are studied. The discharge is driven by a sinusoidal alternating high voltage-power supply at 30 kV with frequency of 27 kHz. The electrodes and the dielectric are assumed to be copper and quartz, respectively. The current discharge consists of an electrical breakdown that occurs in each half-period. A detailed description of the electron attachment and detachment processes, surface charge accumulation, charged species recombination, conversion of negative and positive ions, ion production and losses, excitations and dissociations of molecules are taken into account. Time-dependent one-dimensional electron density, electric field, electric potential, electron temperature, densities of reactive oxygen species (ROS) and reactive nitrogen species (RNS) such as: O, O-, O+, {O}2^{ - } , {O}2^{ + } , O3, {N}, {N}2^{ + } , N2s and {N}2^{ - } are simulated versus time across the gas gap. The results of this work could be used in plasma-based pollutant degradation devices.

Surface Roughness of Various Diamond-Like Carbon Films

NASA Astrophysics Data System (ADS)

Liu, Dongping; Liu, Yanhong; Chen, Baoxiang

2006-11-01

Atomic force microscopy is used to estimate and compare the surface morphology of hydrogenated and hydrogen-free diamond-like carbon (DLC) films. The films were prepared by using DC magnetron sputtering of a graphite target, pulsed cathodic carbon arcs, electron cyclotron resonance (ECR), plasma source ion implantation and dielectric barrier discharge (DBD). The difference in the surface structure is presented for each method of deposition. The influences of various discharge parameters on the film surface properties are discussed based upon the experimental results. The coalescence process via the diffusion of adsorbed carbon species is responsible for the formation of hydrogen-free DLC films with rough surfaces. The films with surface roughness at an atomic level can be deposited by energetic ion impacts in a highly ionized carbon plasma. The dangling bonds created by atomic hydrogen lead to the uniform growth of hydrocarbon species at the a-C:H film surfaces of the ECR or DBD plasmas.

Reticulated shallow etch mesa isolation for controlling surface leakage in GaSb-based infrared detectors

NASA Astrophysics Data System (ADS)

Nolde, J. A.; Jackson, E. M.; Bennett, M. F.; Affouda, C. A.; Cleveland, E. R.; Canedy, C. L.; Vurgaftman, I.; Jernigan, G. G.; Meyer, J. R.; Aifer, E. H.

2017-07-01

Longwave infrared detectors using p-type absorbers composed of InAs-rich type-II superlattices (T2SLs) nearly always suffer from high surface currents due to carrier inversion on the etched sidewalls. Here, we demonstrate reticulated shallow etch mesa isolation (RSEMI): a structural method of reducing surface currents in longwave single-band and midwave/longwave dual-band detectors with p-type T2SL absorbers. By introducing a lateral shoulder to increase the separation between the n+ cathode and the inverted absorber surface, a substantial barrier to surface electron flow is formed. We demonstrate experimentally that the RSEMI process results in lower surface current, lower net dark current, much weaker dependence of the current on bias, and higher uniformity compared to mesas processed with a single deep etch. For the structure used, a shoulder width of 2 μm is sufficient to block surface currents.

Silver nanoparticles-incorporated Nb2O5 surface passivation layer for efficiency enhancement in dye-sensitized solar cells.

PubMed

Suresh, S; Unni, Gautam E; Satyanarayana, M; Sreekumaran Nair, A; Mahadevan Pillai, V P

2018-08-15

Guiding and capturing photons at the nanoscale by means of metal nanoparticles and interfacial engineering for preventing back-electron transfer are well documented techniques for performance enhancement in excitonic solar cells. Drifting from the conventional route, we propose a simple one-step process to integrate both metal nanoparticles and surface passivation layer in the porous photoanode matrix of a dye-sensitized solar cell. Silver nanoparticles and Nb 2 O 5 surface passivation layer are simultaneously deposited on the surface of a highly porous nanocrystalline TiO 2 photoanode, facilitating an absorption enhancement in the 465 nm and 570 nm wavelength region and a reduction in back-electron transfer in the fabricated dye-sensitized solar cells together. The TiO 2 photoanodes were prepared by spray pyrolysis deposition method from a colloidal solution of TiO 2 nanoparticles. An impressive 43% enhancement in device performance was accomplished in photoanodes having an Ag-incorporated Nb 2 O 5 passivation layer as against a cell without Ag nanoparticles. By introducing this idea, we were able to record two benefits - the metal nanoparticles function as the absorption enhancement agent, and the Nb 2 O 5 layer as surface passivation for TiO 2 nanoparticles and as an energy barrier layer for preventing back-electron transfer - in a single step. Copyright © 2018 Elsevier Inc. All rights reserved.

First principles calculations of ceramics surfaces and interfaces: Examples from beta-silicon nitride and alpha-alumina

NASA Astrophysics Data System (ADS)

Dunn, Jennifer Synowczynski

The goal of this thesis was to use first principles calculations to provide a fundamental understanding at the atomistic level of the mechanisms (e.g. structural relaxations of ceramic surfaces/interfaces, charge transfer reactions, adsorption and dissociation phenomena, localized debonding) behind macroscopic behavior in ceramics (e.g. fracture toughness, corrosion, catalysis). This thesis includes the results from three independent Density Functional Theory (DFT) studies of beta-Si3N4 and alpha-Al2O 3. Due to the computational complexity of first principles calculations, the models in this thesis do not consider temperature or pressure effects and are limited to describing the behavior of systems containing less than 200 atoms. In future studies, these calculations can be used to train a reactive molecular dynamics force field (REAXFF) so that larger scale phenomena including temperature effects can be explicitly simulated. In the first study, the effect of over 30 dopants on the stability of the interface between beta-Si3N4 grains and the intergranular glassy SiON film (IGF) was investigated. The dopants chosen not only represented commonly known glass modifiers and sintering aides but also enabled us to search for dependencies based on atomic size and electronic orbital configuration. To ensure that the approximations used in our model captured the key physical phenomena occurring on the beta-Si3N4 (100) surface and at the Si3N4/ IGF interface, we compared to experimental data (i.e. High Angle Annual Dark Field-Scanning Transmission Electron Microscopy atomic positions and fracture toughness values (Mikijelj B., 2009)). We identified a computational metric (the interfacial stability factor S) which correlates with experimentally measured fracture toughness values. The interfacial stability factor S is defined as the binding energy of the doped system minus the binding energy of the undoped system, where the binding energy is the total energy of the system minus the sum of the energies of the constituent atoms. In the second study, we performed constrained geometry barrier calculations of the interaction of CO with the (001) beta-Si3N4 surface to answer the following questions: (1) Does the CO combustion product interact with the Si3N4 surface and if so, what is the mechanism? (2) Once adsorbed, can CO further dissociate into isolated surface active C and O species? (3) Is it more energetically favorable for C to diffuse into the bulk beta-Si3N4 or along its surface? and (4) What is the barrier to C diffusing into an amorphous SiO2 intergranular film? Our calculations indicated that CO spontaneously adsorbs to the (001) beta-Si 3N4 surface. However, at ambient temperatures, further dissociation into isolated surface adsorbed C and O species was not thermodynamically or kinetically feasible. The barrier to C diffusing interstitially 1A and 5A into the bulk crystalline lattice is 2.12 and 4.42 eV respectively for a defect free, clean surface. However, the barrier for C surface diffusion is much smaller, ˜ 0.87 eV. Therefore, we concluded that surface is rich in C which can diffuse to the Si3N4/SiO2 interface and contribute to chemical erosion near the grain boundary interface. In the final study, we created a DFT model to investigate the 'inverse spillover effect' that occurs during hydrogen combustion on catalytically active Pt clusters supported by alpha-Al2O3. Our results indicated that the dissociation of O2 was not thermodynamically favored on the alpha-Al2O3 surface. However, both H2 and H2O dissociated, forming hydroxyls with oxygen atoms in the second atomic layer. Once dissociated, the oxygen species could diffuse locally but encountered a large barrier to long-range surface diffusion in the absence of defects or other species. In contrast, the barrier to the long-range surface diffusion of hydrogen was modest under ideal conditions. We also identified several adsorption and dissociation products for Pt, Pt-O [ads] Pt3, O, H, O2, H2, and H 2O on the alpha-Al2O3 (0001) surface and described how these structures changed the surface reconstruction. Specifically, we concluded that the adsorption of molecular H2O, atomic Pt, and Pt trimers changed the termination for the alpha-Al2O3 (0001) surface from aluminum to oxygen terminated in the vicinity of the adsorption products. This should have a dramatic affect on catalytic activity and surface diffusion. We confirmed this for O surface diffusion near surface Al where the presence of atomic Pt decreased the diffusion barrier from 1.17 to 0.22 eV.

Mechanistic Insights into Photocatalyzed Hydrogen Desorption from Palladium Surfaces Assisted by Localized Surface Plasmon Resonances.

PubMed

Spata, Vincent A; Carter, Emily A

2018-04-24

Nanoparticles synthesized from plasmonic metals can absorb low-energy light, producing an oscillation/excitation of their valence electron density that can be utilized in chemical conversions. For example, heterogeneous photocatalysis can be achieved within heterometallic antenna-reactor complexes (HMARCs), by coupling a reactive center at which a chemical reaction occurs to a plasmonic nanoparticle that acts as a light-absorbing antenna. For example, HMARCs composed of aluminum antennae and palladium (Pd) reactive centers have been demonstrated recently to catalyze selective hydrogenation of acetylene to ethylene. Here, we explore within a theoretical framework the rate-limiting step of hydrogen photodesorption from a Pd surface-crucial to achieving partial rather than full hydrogenation of acetylene-to understand the mechanism behind the photodesorption process within the HMARC assembly. To properly describe electronic excited states of the metal-molecule system, we employ embedded complete active space self-consistent field and n-electron valence state perturbation theory to second order within density functional embedding theory. The results of these calculations reveal that the photodesorption mechanism does not create a frequently invoked transient negative ion species but instead enhances population of available excited-state, low-barrier pathways that exhibit negligible charge-transfer character.

Energetics of Mg incorporation at GaN(0001) and GaN(0001¯) surfaces

NASA Astrophysics Data System (ADS)

Sun, Qiang; Selloni, Annabella; Myers, T. H.; Doolittle, W. Alan

2006-04-01

By using density functional calculations in the generalized gradient approximation, we investigate the energetics of Mg adsorption and incorporation at GaN(0001) and GaN(0001¯) surfaces under various Ga and Mg coverage conditions as well as in presence of light or electron beam-induced electronic excitation. We find significant differences in Mg incorporation between Ga- and N-polar surfaces. Mg incorporation is easier at the Ga-polar surface, but high Mg coverages are found to cause important distortions which locally change the polarity from Ga to N polar. At the N-rich and moderately Ga-rich GaN(0001) surface, 0.25 ML of Mg substituting Ga in the top bilayer strongly reduce the surface diffusion barriers of Ga and N adatoms, in agreement with the surfactant effect observed in experiments. As the Mg coverage exceeds 0.5 ML, partial incorporation in the subsurface region (second bilayer) becomes favorable. A surface structure with 0.5 ML of incorporated Mg in the top bilayer and 0.25 ML in the second bilayer is found to be stable over a wide range of Ga chemical potential. At the Ga bilayer-terminated GaN(0001) surface, corresponding to Ga-rich conditions, configurations where Mg is incorporated in the interface region between the metallic Ga bilayer and the underlying GaN bilayer appear to be favored. At the N-polar surface, Mg is not incorporated under N-rich or moderately Ga-rich conditions, whereas incorporation in the adlayer may take place under Ga-rich conditions. In the presence of light or electron beam induced excitation, energy differences between Mg incorporated at the surface and in deeper layers are reduced so that the tendency toward surface segregation is also reduced.

Nuclear fragmentation studies for microelectronic application

NASA Technical Reports Server (NTRS)

Ngo, Duc M.; Wilson, John W.; Buck, Warren W.; Fogarty, Thomas N.

1989-01-01

A formalism for target fragment transport is presented with application to energy loss spectra in thin silicon devices. Predicted results are compared to experiments with the surface barrier detectors of McNulty et al. The intranuclear cascade nuclear reaction model does not predict the McNulty experimental data for the highest energy events. A semiempirical nuclear cross section gives an adequate explanation of McNulty's experiments. Application of the formalism to specific electronic devices is discussed.

Anomalous electron collimation in HgTe quantum wells with inverted band structure.

PubMed

Zou, Y L; Zhang, L B; Song, J T

2013-02-20

We investigate the electron collimation behavior in HgTe quantum wells (QWs) with a magnetic-electric barrier induced by a ferromagnetic metal stripe. We find that electrons can transmit perfectly through the magnetic-electric barrier at some specific incidence angles. These angles can be controlled by the tuning gate voltage, local magnetic field and Fermi energy of incident electrons in QWs with appropriate barrier length. This collimation feature can be used to construct momentum filters in HgTe QWs and has potential application in nanodevices.

[Study on Hexagonal Super-Lattice Pattern with Light Spot and Dim Spot in Dielectric Barrier Discharge by Optical Emission Spectra].

PubMed

Liu, Ying; Dong, Li-fang; Niu, Xue-jiao; Zhang, Chao

2016-02-01

The hexagonal super-lattice pattern composed of the light spot and the dim spot is firstly observed and investigated in the discharge of gas mixture of air and argon by using the dielectric barrier discharge device with double water electrodes. It is found that the dim spot is located at the center of its surrounding three light spots by observing the discharge image. Obviously, the brightness of the light spot and the dim spot are different, which indicates that the plasma states of the light spot and the dim spot may be different. The optical emission spectrum method is used to further study the several plasma parameters of the light spot and the dim spot in different argon content. The emission spectra of the N₂ second positive band (C³IIu --> B³IIg) are measured, from which the molecule vibration temperatures of the light spot and the dim spot are calculated. Based on the relative intensity ratio of the line at 391.4 nm and the N₂ line at 394.1 nm, the average electron energies of the light spot and the dim spot are investigated. The broadening of spectral line 696.57 nm (2P₂-1S₅) is used to study the electron densities of the light spot and the dim spot. The experiment shows that the molecule vibration temperature, average electron energy and the electron density of the dim spot are higher than those of the light spot in the same argon content. The molecule vibration temperature and electron density of the light spot and dim spot increase with the argon content increasing from 70% to 95%, while average electron energies of the light spot and dim spot decrease gradually. The short-exposure image recorded by a high speed video camera shows that the dim spot results from the surface discharges (SDs). The surface discharge induced by the volume discharge (VD) has the decisive effect on the formation of the dim spot. The experiment above plays an important role in studying the formation mechanism of the hexagonal super-lattice pattern with light spot and dim spot. In addition, the studies exert influences on the application of surface discharge and volume discharge in different fields.

Synthetic Eelgrass Oil Barrier

NASA Astrophysics Data System (ADS)

Curtis, T. G.

2013-05-01

Although surviving in situ micro-organisms eventually consume spilled oil, extensive inundation of shore biota by oil requires cleanup to enable ecological recovery within normal time scales. Although effective in calm seas and quiet waters, oil is advected over and under conventional curtain oil booms by wave actions and currents when seas are running. Most sorbent booms are not reusable, and are usually disposed of in landfills, creating excessive waste. A new concept is proposed for a floating oil barrier, to be positioned off vulnerable coasts, to interdict, contain, and sequester spilled oil, which can then be recovered and the barrier reused. While conventional oil boom designs rely principally on the immiscibility of oil in water and its relative buoyancy, the new concept barrier avoids the pitfalls of the former by taking advantage of the synergistic benefits of numerous fluid and material properties, including: density, buoyancy, elasticity, polarity, and surface area to volume ratio. Modeled after Zostera marina, commonly called eelgrass, the new barrier, referred to as synthetic eelgrass (SE), behaves analogously. Eelgrass has very long narrow, ribbon-like, leaves which support periphyton, a complex matrix of algae and heterotrophic microbes, which position themselves there to extract nutrients from the seawater flowing past them. In an analogous fashion, oil on, or in, seawater, which comes in contact with SE, is adsorbed on the surface and sequestered there. Secured to the bottom, in shoal waters, SE rises to the surface, and, if the tide is low enough, floats on the sea surface down wind, or down current to snare floating oil. The leaves of SE, called filaments, consist of intrinsically buoyant strips of ethylene methyl acrylate, aka EMA. EMA, made of long chain, saturated, hydrocarbon molecules with nearly homogeneous electron charge distributions, is a non-polar material which is oleophilic and hydrophobic. Oil must be in close proximity to the surface of filaments because the physical, van der Waals, forces, the basis for their adhesion to the surface, are weak and act over only a short distance. SE can be deployed in a fashion similar to a demersal fishing "longline". Oil can be "caught" by replacing baited hooks and snoods with closely spaced filaments of EMA. Adsorption of floating oil requires the filaments be long enough to reach the surface, and float, as eelgrass at low tide, on the surface for some distance. Laying multiple, parallel, lines of SE offshore, makes it possible to recover each, one at a time, and replace it without breeching the barrier to oil that they form. As EMA is tough and elastic, with a large surface area to volume ratio, by virtue of being formed as an open-cell foam, considerable oil is adsorbed and can be recovered by squeezing the oil out of the filaments. Lines of SE can be redeployed and do not have to be discarded.

Reaction Mechanisms for the Electrochemical Reduction of CO 2 to CO and Formate on the Cu(100) Surface at 298 K from Quantum Mechanics Free Energy Calculations with Explicit Water

DOE PAGES

Cheng, Tao; Xiao, Hai; Goddard, William A.

2016-10-11

Copper is the only elemental metal that reduces a significant fraction of CO 2 to hydrocarbons and alcohols, but the atomistic reaction mechanism that controls the product distributions is not known because it has not been possible to detect the reaction intermediates on the electrode surface experimentally, or to carry out Quantum Mechanics (QM) calculations with a realistic description of the electrolyte (water). We carry out QM calculations with an explicit description of water on the Cu(100) surface (experimentally shown to be stable under CO 2 reduction reaction conditions) to examine the initial reaction pathways to form CO and formatemore » (HCOO –) from CO 2 through free energy calculations at 298 K and pH 7. We find that CO formation proceeds from physisorbed CO 2 to chemisorbed CO 2 (*CO 2 δ-), with a free energy barrier of ΔG ‡ = 0.43 eV, the rate-determining step (RDS). The subsequent barriers of protonating *CO 2 δ- to form COOH* and then dissociating COOH* to form *CO are 0.37 and 0.30 eV, respectively. HCOO– formation proceeds through a very different pathway in which physisorbed CO 2 reacts directly with a surface H* (along with electron transfer), leading to ΔG ‡ = 0.80 eV. Thus, the competition between CO formation and HCOO – formation occurs in the first electron-transfer step. On Cu(100), the RDS for CO formation is lower, making CO the predominant product. Therefore, to alter the product distribution, we need to control this first step of CO 2 binding, which might involve controlling pH, alloying, or changing the structure at the nanoscale.« less

Reaction Mechanisms for the Electrochemical Reduction of CO2 to CO and Formate on the Cu(100) Surface at 298K from Quantum Mechanics Free Energy Calculations with Explicit Water.

PubMed

Cheng, Tao; Xiao, Hai; Goddard, William A

2016-10-11

Copper is the only elemental metal that reduces a significant fraction of CO 2 to hydrocarbons and alcohols, but the atomistic reaction mechanism that controls the product distributions are not known because it has not been possible to detect the reaction intermediates on the electrode surface experimentally, or carry out Quantum Mechanics (QM) calculations with a realistic description of the electrolyte (water). Here, we carry out Quantum Mechanics (QM) calculations with an explicit description of water on the Cu(100) surface (experimentally shown to be stable under CO2RR conditions) to examine the initial reaction pathways to form CO and formate (HCOO - ) from CO 2 through free energy calculations at 298K and pH 7. We find that CO formation proceeds from physisorbed CO 2 to chemisorbed CO 2 (*CO 2 δ- ), with a free energy barrier of ΔG ‡ =0.43 eV, the rate determining step (RDS). The subsequent barriers of protonating *CO 2 δ- to form COOH* and then dissociating COOH* to form *CO are 0.37 eV and 0.30 eV, respectively. HCOO - formation proceeds through a very different pathway in which physisorbed CO 2 reacts directly with a surface H* (along with electron transfer), leading to ΔG ‡ = 0.80 eV. Thus, the competition between CO formation and HCOO - formation occurs in the first electron transfer step. On Cu(100), the RDS for CO formation is lower, making CO the predominant product. Thus, to alter the product distribution we need to control this first step of CO 2 binding, which might involve alloying or changing the structure at the nanoscale.

Surface modification of polyvinyl alcohol/malonic acid nanofibers by gaseous dielectric barrier discharge plasma for glucose oxidase immobilization

NASA Astrophysics Data System (ADS)

Afshari, Esmail; Mazinani, Saeedeh; Ranaei-Siadat, Seyed-Omid; Ghomi, Hamid

2016-11-01

Polymeric nanofiber prepares a suitable situation for enzyme immobilization for variety of applications. In this research, we have fabricated polyvinyl alcohol (PVA)/malonic acid nanofibers using electrospinning. After fabrication of nanofibers, the effect of air, nitrogen, CO2, and argon DBD (dielectric barrier discharge) plasmas on PVA/malonic acid nanofibers were analysed. Among them, air plasma had the most significant effect on glucose oxidase (GOx) immobilization. Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectrum analysis and X-ray photoelectron spectroscopy (XPS) results revealed that in case of air plasma modified nanofibers, the carboxyl groups on the surface are increased. The scanning electron microscopy (SEM) images showed that, after GOx immobilization, the modified nanofibers with plasma has retained its nanofiber structure. Finally, we analysed reusability and storage stability of GOx immobilized on plasma modified and unmodified nanofibers. The results were more satisfactory for modified nanofibers with respect to unmodified ones.

Thermodynamic analysis of membrane fouling in a submerged membrane bioreactor and its implications.

PubMed

Hong, Huachang; Peng, Wei; Zhang, Meijia; Chen, Jianrong; He, Yiming; Wang, Fangyuan; Weng, Xuexiang; Yu, Haiying; Lin, Hongjun

2013-10-01

The thermodynamic interactions between membrane and sludge flocs in a submerged membrane bioreactor (MBR) were investigated. It was found that Lewis acid-base (AB) interaction predominated in the total interactions. The interaction energy composition of membrane-sludge flocs combination was quite similar to that of membrane-bovine serum albumin (BSA) combination, indicating the critical role of proteins in adhesion process. Detailed analysis revealed the existence of a repulsive energy barrier in membrane-foulants interaction. Calculation results demonstrated that small flocs possessed higher attractive interaction energy per unit mass, and therefore adhered to membrane surface more easily as compared to large flocs. Meanwhile, initial sludge adhesion would facilitate the following adhesion due to the reduced repulsive energy barrier. Membrane with high electron donor surface tension component was a favor option for membrane fouling abatement. These findings offered new insights into membrane fouling, and also provided significant implications for fouling control in MBRs. Copyright © 2013 Elsevier Ltd. All rights reserved.

Clusterin Seals the Ocular Surface Barrier in Mouse Dry Eye

PubMed Central

Bauskar, Aditi; Mack, Wendy J.; Mauris, Jerome; Argüeso, Pablo; Heur, Martin; Nagel, Barbara A.; Kolar, Grant R.; Gleave, Martin E.; Nakamura, Takahiro; Kinoshita, Shigeru; Moradian-Oldak, Janet; Panjwani, Noorjahan; Pflugfelder, Stephen C.; Wilson, Mark R.; Fini, M. Elizabeth; Jeong, Shinwu

2015-01-01

Dry eye is a common disorder caused by inadequate hydration of the ocular surface that results in disruption of barrier function. The homeostatic protein clusterin (CLU) is prominent at fluid-tissue interfaces throughout the body. CLU levels are reduced at the ocular surface in human inflammatory disorders that manifest as severe dry eye, as well as in a preclinical mouse model for desiccating stress that mimics dry eye. Using this mouse model, we show here that CLU prevents and ameliorates ocular surface barrier disruption by a remarkable sealing mechanism dependent on attainment of a critical all-or-none concentration. When the CLU level drops below the critical all-or-none threshold, the barrier becomes vulnerable to desiccating stress. CLU binds selectively to the ocular surface subjected to desiccating stress in vivo, and in vitro to the galectin LGALS3, a key barrier component. Positioned in this way, CLU not only physically seals the ocular surface barrier, but it also protects the barrier cells and prevents further damage to barrier structure. These findings define a fundamentally new mechanism for ocular surface protection and suggest CLU as a biotherapeutic for dry eye. PMID:26402857

Clusterin Seals the Ocular Surface Barrier in Mouse Dry Eye.

PubMed

Bauskar, Aditi; Mack, Wendy J; Mauris, Jerome; Argüeso, Pablo; Heur, Martin; Nagel, Barbara A; Kolar, Grant R; Gleave, Martin E; Nakamura, Takahiro; Kinoshita, Shigeru; Moradian-Oldak, Janet; Panjwani, Noorjahan; Pflugfelder, Stephen C; Wilson, Mark R; Fini, M Elizabeth; Jeong, Shinwu

2015-01-01

Dry eye is a common disorder caused by inadequate hydration of the ocular surface that results in disruption of barrier function. The homeostatic protein clusterin (CLU) is prominent at fluid-tissue interfaces throughout the body. CLU levels are reduced at the ocular surface in human inflammatory disorders that manifest as severe dry eye, as well as in a preclinical mouse model for desiccating stress that mimics dry eye. Using this mouse model, we show here that CLU prevents and ameliorates ocular surface barrier disruption by a remarkable sealing mechanism dependent on attainment of a critical all-or-none concentration. When the CLU level drops below the critical all-or-none threshold, the barrier becomes vulnerable to desiccating stress. CLU binds selectively to the ocular surface subjected to desiccating stress in vivo, and in vitro to the galectin LGALS3, a key barrier component. Positioned in this way, CLU not only physically seals the ocular surface barrier, but it also protects the barrier cells and prevents further damage to barrier structure. These findings define a fundamentally new mechanism for ocular surface protection and suggest CLU as a biotherapeutic for dry eye.

Enhanced Semiconductor Nanocrystal Conductance via Solution Grown Contacts

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

Sheldon, Matthew T.; Trudeau, Paul-Emile; Mokari, Taleb

We report a 100,000-fold increase in the conductance of individual CdSe nanorods when they are electrically contacted via direct solution phase growth of Au tips on the nanorod ends. Ensemble UV-Vis and X-Ray photoelectron spectroscopy indicate this enhancement does not result from alloying of the nanorod. Rather, low temperature tunneling and high temperature (250-400 K) thermionic emission across the junction at the Au contact reveal a 75percent lower interface barrier to conduction compared to a control sample. We correlate this barrier lowering with the electronic structure at the Au-CdSe interface. Our results emphasize the importance of nanocrystal surface structure formore » robust device performance and the advantage of this contact method.« less

F + H/sub 2/ potential energy surface: the ecstasy and the agony

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

Schaefer, H.F. III

1985-12-05

This account surveys 14 years of more or less continuing theoretical research on the FH/sub 2/ potential energy hypersurface. Early encouragement concerning the ability of theory to reliably characterize the entrance barrier for F + H/sub 2/ ..-->.. FH + H has more recently been sobered by the realization that very high levels of theory are required for this task. The importance of zero-point vibrational corrections and tunneling corrections in reliable predictions of the same activation energy is discussed. In contrast, the barrier height of H + FH ..-->.. HF + H three-center exchange stands as a prominent early successmore » of ab initio molecular electronic structure theory. 90 references, 4 figures, 6 tables.« less

Flexible IGZO Schottky diodes on paper

NASA Astrophysics Data System (ADS)

Kaczmarski, Jakub; Borysiewicz, Michał A.; Piskorski, Krzysztof; Wzorek, Marek; Kozubal, Maciej; Kamińska, Eliana

2018-01-01

With the development of novel device applications, e.g. in the field of robust and recyclable paper electronics, came an increased demand for the understanding and control of IGZO Schottky contact properties. In this work, a fabrication and characterization of flexible Ru-Si-O/IGZO Schottky barriers on paper is presented. It is found that an oxygen-rich atomic composition and microstructure of Ru-Si-O containing randomly oriented Ru inclusions with diameter of 3-5 nm embedded in an amorphous SiO2 matrix are effective in preventing interfacial reactions in the contact region, allowing to avoid pre-treatment of the semiconductor surface and fabricate reliable diodes at room temperature characterized by Schottky barrier height and ideality factor equal 0.79 eV and 2.13, respectively.

Nonlinearity, resonance, charging, and motion at the atomic scale studied with scanning tunneling microscopes

NASA Astrophysics Data System (ADS)

Tu, Xiuwen

2008-10-01

Several novel phenomena at the single-atom and single-molecule level occurring on the surfaces of single crystals were studied with home-built low temperature scanning tunneling microscopes. The results revealed intriguing properties of single atoms and single molecules, including nonlinearity, resonance, charging, and motion. First, negative differential resistance (NDR) was observed in the dI/dV spectra for single copper-phthalocyanine (CuPc) molecules adsorbed on one- and two-layer sodium bromide (NaBr), but not for single CuPc molecules adsorbed on three-layer NaBr, all grown on a NiAl(110) surface. This transition from NDR to the absence of NDR was explained as the result of competing effects in the double-barrier tunnel junction (DBTJ) and was reproduced in a calculation based on a resonant-tunneling model. Second, the nonlinearity of the STM junction due to a single manganese (Mn) atom or MnCO molecule adsorbed on a NiAl(110) surface was used to rectify microwave irradiation. The resulting rectification current was shown to be sensitive to the spin-splitting of the electronic states of the Mn atom and to the vibrations of the MnCO molecule. Next, the ordering of cesium (Cs) atoms adsorbed on a Au(111) surface and a NiAl(110) surface was imaged in real space. Because of charge transfer to the substrates, Cs adatoms were positively charged on both surfaces. Even at 12 K, Cs adatoms were able to move and adjust according to coverage. On Au(111), the Cs first layer had a quasi-hexagonal lattice and islands of the second Cs layer did not appear until the first was completed. On NiAl(110), a locally disordered Cs first layer was observed before a locally ordered layer appeared at higher coverages. The cation-pi interactions were then studied at the single molecular level. We were able to form cation-pi complexes such as Cs···DSB, Cs···DSB···Cs, Rb···DSB, and Rb···ZnEtiol controllably by manipulation with the STM tip. We could also separate these complexes controllably by voltage pulses. STM imaging and spectroscopy revealed precise information about the atomic and electronic structure of these cation-pi complexes. Finally, electron transport through single atoms and molecules in a double-barrier tunnel junction (DBTJ) was examined. Charge bistability was observed for single ZnEtioI molecules adsorbed in several different conformations on ultrathin aluminum oxide. A sudden decrease in local apparent barrier height (LABH) was observed at the onset of an adsorbate electronic orbital for single ZnEtioI molecules and Cs atoms supported by the ultrathin aluminum oxide. The resonant-tunneling model, which was proposed to explain the transition from NDR to the absence of NDR, was found useful in explaining the sudden decrease in LABH, too. NDR, bipolar tunneling, and vibronic states were also observed and discussed in the context of DBTJ.

Surface compositional variations of Mo-47Re alloy as a function of temperature

NASA Technical Reports Server (NTRS)

Hoekje, S. J.; Outlaw, R. A.; Sankaran, S. N.

1993-01-01

Molybdenum-rhenium alloys are candidate materials for the National Aero-Space Plane (NASP) as well as for other applications in generic hypersonics. These materials are expected to be subjected to high-temperature (above 1200 C) casual hydrogen (below 50 torr), which could potentially degrade the material strength. Since the uptake of hydrogen may be controlled by the contaminant surface barriers, a study of Mo-47Re was conducted to examine the variations in surface composition as a function of temperature from 25 C to 1000 C. Pure molybdenum and rhenium were also examined and the results compared with those for the alloy. The analytical techniques employed were Auger electron spectroscopy, electron energy loss spectroscopy, ion scattering spectroscopy, and x ray photoelectron spectroscopy. The native surface was rich in metallic oxides that disappeared at elevated temperatures. As the temperature increased, the carbon and oxygen disappeared by 800 C and the surface was subsequently populated by the segregation of silicon, presumably from the grain boundaries. The alloy readily chemisorbed oxygen, which disappeared with heating. The disappearance temperature progressively increased for successive dosings. When the alloy was exposed to 800 torr of hydrogen at 900 C for 1 hour, no hydrogen interaction was observed.

Control of Internal Transport Barriers in Magnetically Confined Fusion Plasmas

NASA Astrophysics Data System (ADS)

Panta, Soma; Newman, David; Sanchez, Raul; Terry, Paul

2016-10-01

In magnetic confinement fusion devices the best performance often involves some sort of transport barriers to reduce the energy and particle flow from core to edge. Those barriers create gradients in the temperature and density profiles. If gradients in the profiles are too steep that can lead to instabilities and the system collapses. Control of these barriers is therefore an important challenge for fusion devices (burning plasmas). In this work we focus on the dynamics of internal transport barriers. Using a simple 7 field transport model, extensively used for barrier dynamics and control studies, we explore the use of RF heating to control the local gradients and therefore the growth rates and shearing rates for barrier initiation and control in self-heated fusion plasmas. Ion channel barriers can be formed in self-heated plasmas with some NBI heating but electron channel barriers are very sensitive. They can be formed in self-heated plasmas with additional auxiliary heating i.e. NBI and radio-frequency(RF). Using RF heating on both electrons and ions at proper locations, electron channel barriers along with ion channel barriers can be formed and removed demonstrating a control technique. Investigating the role of pellet injection in controlling the barriers is our next goal. Work supported by DOE Grant DE-FG02-04ER54741.

A Theoretical Study of Bulk and Surface Diffusion Processes for Semiconductor Materials Using First Principles Calculations

NASA Astrophysics Data System (ADS)

Roehl, Jason L.

Diffusion of point defects on crystalline surfaces and in their bulk is an important and ubiquitous phenomenon affecting film quality, electronic properties and device functionality. A complete understanding of these diffusion processes enables one to predict and then control those processes. Such understanding includes knowledge of the structural, energetic and electronic properties of these native and non-native point defect diffusion processes. Direct experimental observation of the phenomenon is difficult and microscopic theories of diffusion mechanisms and pathways abound. Thus, knowing the nature of diffusion processes, of specific point defects in given materials, has been a challenging task for analytical theory as well as experiment. The recent advances in computing technology have been a catalyst for the rise of a third mode of investigation. The advent of tremendous computing power, breakthroughs in algorithmic development in computational applications of electronic density functional theory now enables direct computation of the diffusion process. This thesis demonstrates such a method applied to several different examples of point defect diffusion on the (001) surface of gallium arsenide (GaAs) and the bulk of cadmium telluride (CdTe) and cadmium sulfide (CdS). All results presented in this work are ab initio, total-energy pseudopotential calculations within the local density approximation to density-functional theory. Single particle wavefunctions were expanded in a plane-wave basis and reciprocal space k-point sampling was achieved by Monkhorst-Pack generated k-point grids. Both surface and bulk computations employed a supercell approach using periodic boundary conditions. Ga adatom adsorption and diffusion processes were studied on two reconstructions of the GaAs(001) surface including the c(4x4) and c(4x4)-heterodimer surface reconstructions. On the GaAs(001)- c(4x4) surface reconstruction, two distinct sets of minima and transition sites were discovered for a Ga adatom relaxing from heights of 3 and 0.5 A from the surface. These two sets show significant differences in the interaction of the Ga adatom with surface As dimers and an electronic signature of the differences in this interaction was identified. The energetic barriers to diffusion were computed between various adsorption sites. Diffusion profiles for native Cd and S, adatom and vacancy, and non-native interstitial adatoms of Te, Cu and Cl were investigated in bulk wurtzite CdS. The interstitial diffusion paths considered in this work were chosen parallel to c-axis as it represents the path encountered by defects diffusing from the CdTe layer. Because of the lattice mismatch between zinc-blende CdTe and hexagonal wurtzite CdS, the c-axis in CdS is normal to the CdTe interface. The global minimum and maximum energy positions in the bulk unit cell vary for different diffusing species. This results in a significant variation, in the bonding configurations and associated strain energies of different extrema positions along the diffusion paths for various defects. The diffusion barriers range from a low of 0.42 eV for an S interstitial to a high of 2.18 eV for a S vacancy. The computed 0.66 eV barrier for a Cu interstitial is in good agreement with experimental values in the range of 0.58 - 0.96 eV reported in the literature. There exists an electronic signature in the local density of states for the s- and d-states of the Cu interstitial at the global maximum and global minimum energy position. The work presented in this thesis is an investigation into diffusion processes for semiconductor bulk and surfaces. The work provides information about these processes at a level of control unavailable experimentally giving an elaborate description into physical and electronic properties associated with diffusion at its most basic level. Not only does this work provide information about GaAs, CdTe and CdS, it is intended to contribute to a foundation of knowledge that can be extended to other systems to expand our overall understanding into the diffusion process. (Abstract shortened by UMI.)

Plasmonic Ag coated Zn/Ti-LDH with excellent photocatalytic activity

NASA Astrophysics Data System (ADS)

Zhu, Yanping; Zhu, Runliang; Zhu, Gangqiang; Wang, Miaomiao; Chen, Yannan; Zhu, Jianxi; Xi, Yunfei; He, Hongping

2018-03-01

Nowadays, two-dimensional (2D) nanosheets, such as layered double hydroxides (LDH), have received considerable attention for their potential to meeting clean energy demand and solving environmental problems. In this work, novel and efficient photocatalysts of plasmonic Ag nanoparticles coated Zn/Ti-LDH nanosheets have been synthesized through low-temperature reduction method. The structural characteristics of the as-prepared products were investigated by a series of characteristic methods The scanning electron microscopy (SEM) and transmission electron microscope (TEM) images showed that Ag nanoparticles were distributed on the surface of Zn/Ti-LDH uniformly. The UV-vis diffuse reflectance spectra (DRS) showed that the absorbance of Ag/LDH in visible-light region enhanced markedly and presented a broad band at 500-600 nm, which was resulted from the surface plasmon resonance (SPR) effect of Ag nanoparticles. The photocatalytic activities of Ag/LDH were evaluated by degradation of Rhodamine-B (RhB) and NO. The photocatalytic experiments showed that Ag/LDH had higher photocatalytic activity than that of pure LDH, and 2%Ag/LDH exhibited the highest photocatalytic activity. In addition, the 2%Ag/LDH exhibited high photochemical stability after multiple reaction runs. The obtained results from photoluminescence (PL) spectroscopic measurement and transient photocurrent (I-V) analysis both revealed the existence of Schottky barriers between LDH and Ag nanoparticles. The electron spin resonance (ESR) showed that rad OH were the dominant active species in the photo-degradation process. The enhanced photocatalytic performance of the composite should be ascribed to both the SPR effect of Ag nanoparticles in visible light and the Schottky barriers between LDH and Ag nanoparticles.

A mechanism study of sound wave-trapping barriers.

PubMed

Yang, Cheng; Pan, Jie; Cheng, Li

2013-09-01

The performance of a sound barrier is usually degraded if a large reflecting surface is placed on the source side. A wave-trapping barrier (WTB), with its inner surface covered by wedge-shaped structures, has been proposed to confine waves within the area between the barrier and the reflecting surface, and thus improve the performance. In this paper, the deterioration in performance of a conventional sound barrier due to the reflecting surface is first explained in terms of the resonance effect of the trapped modes. At each resonance frequency, a strong and mode-controlled sound field is generated by the noise source both within and in the vicinity outside the region bounded by the sound barrier and the reflecting surface. It is found that the peak sound pressures in the barrier's shadow zone, which correspond to the minimum values in the barrier's insertion loss, are largely determined by the resonance frequencies and by the shapes and losses of the trapped modes. These peak pressures usually result in high sound intensity component impinging normal to the barrier surface near the top. The WTB can alter the sound wave diffraction at the top of the barrier if the wavelengths of the sound wave are comparable or smaller than the dimensions of the wedge. In this case, the modified barrier profile is capable of re-organizing the pressure distribution within the bounded domain and altering the acoustic properties near the top of the sound barrier.

Dislocation nucleation facilitated by atomic segregation

DOE PAGES

Zou, Lianfeng; Yang, Chaoming; Lei, Yinkai; ...

2017-11-27

Surface segregation—the enrichment of one element at the surface, relative to the bulk—is ubiquitous to multi-component materials. Using the example of a Cu–Au solid solution, we demonstrate that compositional variations induced by surface segregation are accompanied by misfit strain and the formation of dislocations in the subsurface region via a surface di˙usion and trapping process. The resulting chemically ordered surface regions acts as an e˙ective barrier that inhibits subsequent dislocation annihilation at free surfaces. Using dynamic, atomic-scale resolution electron microscopy observations and theory modelling, we show that the dislocations are highly active, and we delineate the specific atomic-scale mechanisms associatedmore » with their nucleation, glide, climb, and annihilation at elevated temperatures. As a result, these observations provide mechanistic detail of how dislocations nucleate and migrate at heterointerfaces in dissimilar-material systems.« less

Adsorption and Dissociation of Molecular Oxygen on the (0001) Surface of Double Hexagonal Close Packed Americium

NASA Astrophysics Data System (ADS)

Dholabhai, Pratik; Atta-Fynn, Raymond; Ray, Asok

2008-03-01

Oxygen molecule adsorption on (0001) surface of double hexagonal packed americium has been studied in detail within the framework of density functional theory using a full-potential all-electron linearized augmented plane wave plus local orbitals method. The most stable configuration corresponded to molecular dissociation with the oxygen atoms occupying neighboring three-fold hollow h3 sites. Chemisorption energies and adsorption geometries for the adsorbed species, and change in work functions, magnetic moments, partial charges inside muffin-tins, difference charge density distributions and density of states for the bare Am slab and the Am slab after adsorption of the oxygen molecule will be discussed. The effects of chemisorption on Am 5f electron localization-delocalization in the vicinity of the Fermi level and the reaction barrier calculation for the dissociation of oxygen molecule to the most stable h3 sites will be discussed.

Oxygen adsorption and incorporation at irradiated GaN(0001) and GaN(0001¯) surfaces: First-principles density-functional calculations

NASA Astrophysics Data System (ADS)

Sun, Qiang; Selloni, Annabella; Myers, T. H.; Doolittle, W. Alan

2006-11-01

Density functional theory calculations of oxygen adsorption and incorporation at the polar GaN(0001) and GaN(0001¯) surfaces have been carried out to explain the experimentally observed reduced oxygen concentration in GaN samples grown by molecular beam epitaxy in the presence of high energy (˜10keV) electron beam irradiation [Myers , J. Vac. Sci. Technol. B 18, 2295 (2000)]. Using a model in which the effect of the irradiation is to excite electrons from the valence to the conduction band, we find that both the energy cost of incorporating oxygen impurities in deeper layers and the oxygen adatom diffusion barriers are significantly reduced in the presence of the excitation. The latter effect leads to a higher probability for two O adatoms to recombine and desorb, and thus to a reduced oxygen concentration in the irradiated samples, consistent with experimental observations.

Calculation of smooth potential energy surfaces using local electron correlation methods

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

Mata, Ricardo A.; Werner, Hans-Joachim

2006-11-14

The geometry dependence of excitation domains in local correlation methods can lead to noncontinuous potential energy surfaces. We propose a simple domain merging procedure which eliminates this problem in many situations. The method is applied to heterolytic bond dissociations of ketene and propadienone, to SN2 reactions of Cl{sup -} with alkylchlorides, and in a quantum mechanical/molecular mechanical study of the chorismate mutase enzyme. It is demonstrated that smooth potentials are obtained in all cases. Furthermore, basis set superposition error effects are reduced in local calculations, and it is found that this leads to better basis set convergence when computing barriermore » heights or weak interactions. When the electronic structure strongly changes between reactants or products and the transition state, the domain merging procedure leads to a balanced description of all structures and accurate barrier heights.« less

Multiple relaxations of the cluster surface diffusion in a homoepitaxial SrTiO3 layer

NASA Astrophysics Data System (ADS)

Woo, Chang-Su; Chu, Kanghyun; Song, Jong-Hyun; Yang, Chan-Ho

2018-03-01

We examine the surface diffusion process of adatomic clusters on a (001)-oriented SrTiO3 single crystal using reflection high energy electron diffraction (RHEED). We find that the recovery curve of the RHEED intensity acquired after a homoepitaxial half-layer growth can be accurately fit into a double exponential function, indicating the existence of two dominant relaxation mechanisms. The characteristic relaxation times at selected growth temperatures are investigated to determine the diffusion activation barriers of 0.67 eV and 0.91 eV, respectively. The Monte Carlo simulation of the cluster hopping model suggests that the decrease in the number of dimeric and trimeric clusters during surface diffusion is the origin of the observed relaxation phenomena.

Effect of Ion Sputtering on Interface Chemistry and Electrical Properties of an Gaas (100) Schottky Contacts

NASA Technical Reports Server (NTRS)

Wang, Y. X.; Holloway, P. H.

1984-01-01

Auger and electron photoelectron spectroscopy were used to measure the extent of As depletion during 1 keV to 5 keV argon sputtering of GaAs surfaces. This depletion was correlated with a general decrease in the barrier height of the rectifying Au contact deposited in situ. However, nondestructive angle resolved XPS measurements showed As was depleted at the outer surface more by 1 keV than 3 keV argon. These effects are explained based on a combined work effective work function model and creation of a donor like surface damage layer. The donor layer was correlated with As depletion by sputtering. Deep level trap formation and annealing of sputtering effects were studied.

Embedded top-coat for reducing the effect out of band radiation in EUV lithography

NASA Astrophysics Data System (ADS)

Du, Ke; Siauw, Meiliana; Valade, David; Jasieniak, Marek; Voelcker, Nico; Trefonas, Peter; Thackeray, Jim; Blakey, Idriss; Whittaker, Andrew

2017-03-01

Out of band (OOB) radiation from the EUV source has significant implications for the performance of EUVL photoresists. Here we introduce a surface-active polymer additive, capable of partitioning to the top of the resist film during casting and annealing, to protect the underlying photoresist from OOB radiation. Copolymers were prepared using reversible addition-fragmentation chain transfer (RAFT) polymerization, and rendered surface active by chain extension with a block of fluoro-monomer. Films were prepared from the EUV resist with added surface-active Embedded Barrier Layer (EBL), and characterized using measurements of contact angles and spectroscopic ellipsometry. Finally, the lithographic performance of the resist containing the EBL was evaluated using Electron Beam Lithography exposure

THE PERMEABILITY OF RAT TRANSITIONAL EPITHELIUM

PubMed Central

Hicks, R. M.

1966-01-01

Permeability barriers must exist in transitional epithelium to prevent the free flow of water from underlying blood capillaries through the epithelium into the hypertonic urine, and such a barrier has now been demonstrated in isolated bladders. This barrier is passive in function and can be destroyed by damaging the luminal surface of the transitional epithelium with sodium hydroxide and 8 M urea solutions, by digesting it with trypsin, lecithinase C, and lecithinase D, or by treating it with lipid solvents such as Triton x 100 and saponin. From this it is concluded that the barrier depends on the integrity of lipoprotein cell membranes. The barrier function is also destroyed by sodium thioglycollate solutions, and electron microscope investigations show that sodium thioglycollate damages the thick asymmetric membrane which limits the luminal face of the superficial squamous cell. Cytochemical staining shows the epithelium to contain disulfide and thiol groups and to have a concentration of these groups at the luminal margin of the superficial cells. It thus appears that the permeability barrier also depends on the presence of disulfide bridges in the epithelium, and it is presumed that these links are located in keratin. Because of the effect of thioglycollates, both on the barrier function and on the morphology of the membrane, it is suggested that keratin may be incorporated in the thick barrier membrane. It is proposed that the cells lining the urinary bladder and ureters should be regarded as a keratinizing epitheluim. PMID:5901498

Control of tunneling in a double-well potential with chirped laser pulses

NASA Astrophysics Data System (ADS)

Vatasescu, Mihaela

2012-11-01

We investigate the use of chirped laser pulses to control the tunneling dynamics in the 0g-(6s,6p3/2) double well of Cs2 coupled with other electronic surfaces. The possibility to manipulate the tunneling dynamics appears in a pump-dump scheme designed to form deeply bound cold molecules by photoassociation of two cold cesium atoms in the 0g-(6s,6p3/2) electronic state coupled with a3Σu+ (6s,6s) electronic state. The dump pulse is acting on the 0g-(6s,6p3/2) barrier and can be used to control the tunneling and to capture population in the inner well in deep vibrational levels out of tunneling resonances.

Effect of a gap opening on the conductance of graphene with magnetic barrier structures

NASA Astrophysics Data System (ADS)

Esmailpour, Mohammad

2018-04-01

In the present study Klein tunneling in a single-layer gapped graphene was investigated by transfer matrix method under normal magnetic field for one and two magnetic barriers. Calculations show that electron transmission through a magnetic barrier is deflected to positive angles and reduces as the magnitude of magnetic field and especially the energy gap increases. This reduction is even more significant in larger fields so that after reaching a specific value of energy gap, an effective confinement for fermions and suppression of Klein tunneling is reached particularly in normal incidence and the conductance becomes zero. Unlike one barrier, the process of tunneling through two magnetic barriers induces symmetric transmission probability versus the incident angle; even, for lower energy gaps, electron transmission probability increases which in turn reduces total conductance via proper changes in the value of the magnetic field and energy gap. In general, it is concluded that confining electrons in asymmetric transmission through one barrier is conducted better than two barriers.

Density-functional theory study of dimethyl carbonate synthesis by methanol oxidative carbonylation on single-atom Cu1/graphene catalyst

NASA Astrophysics Data System (ADS)

Sun, Wei; Shi, Ruina; Wang, Xuhui; Liu, Shusen; Han, Xiaoxia; Zhao, Chaofan; Li, Zhong; Ren, Jun

2017-12-01

The mechanism for dimethyl carbonate (DMC) synthesis by oxidation carbonylation of methanol on a single-atom Cu1/graphene catalyst was investigated by density-functional theory calculations. Carbon vacancies in graphene can significantly enhance the interaction between Cu atoms and graphene supports, and provide an increased transfer of electrons from Cu atoms to the graphene sheet. Compared with Cu-doped divacancy graphene (Cu/DG), Cu-doped monovacancy graphene (Cu/MG) provides a stronger interaction between adsorbents and the catalyst surface. Among the reaction processes over Cu1/graphene catalysts, CO insertion into methoxide was more favorable than dimethoxide. The rate-limiting step on the Cu/DG surface is the carbomethoxide reaction with methoxide, which is exothermic by 164.6 kJ mol-1 and has an activation barrier of 190.9 kJ mol-1 energy. Compared with that on the Cu crystal surface, Cu4 and Cu3Rh clusters, and the Cu2O(111) surface, the rate-determining step for DMC formation on Cu/MG, which is CO insertion into methoxide, needs to overcome the lowest barrier of 73.5 kJ mol-1 and is exothermic by 44.6 kJ mol-1. Therefore, Cu/MG was beneficial to the formation of DMC as a single-atom catalyst.

DFT study of adsorption and dissociation of thiophene molecules on Ni(1 1 0)

NASA Astrophysics Data System (ADS)

Morin, C.; Eichler, A.; Hirschl, R.; Sautet, P.; Hafner, J.

2003-08-01

The different adsorption possibilities of thiophene (C 4H 4S) on the Ni(1 1 0) surface have been studied using first principle local-density-functional calculations, with the Vienna ab initio simulation package, which is based on a plane wave basis set and projector augmented wave potentials. For each configuration, a geometric optimisation has been performed. A detailed analysis of the structural and electronic properties of the molecule and the surface in the most stable conformations is presented, showing the combined roles of the molecular distortion and the interactions between the molecule and the surface. Three structures with comparatively large adsorption energies are identified, all with the molecule plane parallel to the surface. Starting from these stabilised structures, various scenarios for the desulfurisation process have been envisaged. While, for the most stable structure, the formation of an adsorbed thiol is an activated process, with an energetic barrier of 0.70 eV, the two structures which are just a bit less stable can dissociate to a C 4H 4 species and a sulfur atom with barriers as low as 0.07 eV. A description of the different transition states and a kinetic analysis of the desulfurisation reaction is also presented.

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

Cheng, Tao; Xiao, Hai; Goddard, William A.

Copper is the only elemental metal that reduces a significant fraction of CO 2 to hydrocarbons and alcohols, but the atomistic reaction mechanism that controls the product distributions is not known because it has not been possible to detect the reaction intermediates on the electrode surface experimentally, or to carry out Quantum Mechanics (QM) calculations with a realistic description of the electrolyte (water). We carry out QM calculations with an explicit description of water on the Cu(100) surface (experimentally shown to be stable under CO 2 reduction reaction conditions) to examine the initial reaction pathways to form CO and formatemore » (HCOO –) from CO 2 through free energy calculations at 298 K and pH 7. We find that CO formation proceeds from physisorbed CO 2 to chemisorbed CO 2 (*CO 2 δ-), with a free energy barrier of ΔG ‡ = 0.43 eV, the rate-determining step (RDS). The subsequent barriers of protonating *CO 2 δ- to form COOH* and then dissociating COOH* to form *CO are 0.37 and 0.30 eV, respectively. HCOO– formation proceeds through a very different pathway in which physisorbed CO 2 reacts directly with a surface H* (along with electron transfer), leading to ΔG ‡ = 0.80 eV. Thus, the competition between CO formation and HCOO – formation occurs in the first electron-transfer step. On Cu(100), the RDS for CO formation is lower, making CO the predominant product. Therefore, to alter the product distribution, we need to control this first step of CO 2 binding, which might involve controlling pH, alloying, or changing the structure at the nanoscale.« less

Interfacial Energy Alignment at the ITO/Ultra-Thin Electron Selective Dielectric Layer Interface and Its Effect on the Efficiency of Bulk-Heterojunction Organic Solar Cells.

PubMed

Itoh, Eiji; Goto, Yoshinori; Saka, Yusuke; Fukuda, Katsutoshi

2016-04-01

We have investigated the photovoltaic properties of an inverted bulk heterojunction (BHJ) cell in a device with an indium-tin-oxide (ITO)/electron selective layer (ESL)/P3HT:PCBM active layer/MoOx/Ag multilayered structure. The insertion of only single layer of poly(diallyl-dimethyl-ammonium chloride) (PDDA) cationic polymer film (or poly(ethyleneimine) (PEI) polymeric interfacial dipole layer) and titanium oxide nanosheet (TN) films as an ESL effectively improved cell performance. Abnormal S-shaped curves were observed in the inverted BHJ cells owing to the contact resistance across the ITO/active layer interface and the ITO/PDDA/TN/active layer interface. The series resistance across the ITO/ESL interface in the inverted BHJ cell was successfully reduced using an interfacial layer with a positively charged surface potential with respect to ITO base electrode. The positive dipole in PEI and the electronic charge phenomena at the electrophoretic deposited TN (ED-TN) films on ITO contributed to the reduction of the contact resistance at the electrode interface. The surface potential measurement revealed that the energy alignment by the transfer of electronic charges from the ED-TN to the base electrodes. The insertion of the ESL with a large positive surface potential reduced the potential barrier for the electron injection at ITO/TN interface and it improved the photovoltaic properties of the inverted cell with an ITO/TN/active layer/MoOx/Ag structure.

Structural stability of coplanar 1T-2H superlattice MoS2 under high energy electron beam.

PubMed

Reshmi, S; Akshaya, M V; Satpati, Biswarup; Basu, Palash Kumar; Bhattacharjee, K

2018-05-18

Coplanar heterojunctions composed of van der Waals layered materials with different structural polymorphs have drawn immense interest recently due to low contact resistance and high carrier injection rate owing to low Schottky barrier height. Present research has largely focused on efficient exfoliation of these layered materials and their restacking to achieve better performances. We present here a microwave assisted easy, fast and efficient route to induce high concentration of metallic 1T phase in the original 2H matrix of exfoliated MoS 2 layers and thus facilitating the formation of a 1T-2H coplanar superlattice phase. High resolution transmission electron microscopy (HRTEM) investigations reveal formation of highly crystalline 1T-2H hybridized structure with sharp interface and disclose the evidence of surface ripplocations within the same exfoliated layer of MoS 2 . In this work, the structural stability of 1T-2H superlattice phase during HRTEM measurements under an electron beam of energy 300 keV is reported. This structural stability could be either associated to the change in electronic configuration due to induction of the restacked hybridized phase with 1T- and 2H-regions or to the formation of the surface ripplocations. Surface ripplocations can act as an additional source of scattering centers to the electron beam and also it is possible that a pulse train of propagating ripplocations can sweep out the defects via interaction from specific areas of MoS 2 sheets.

Structural stability of coplanar 1T-2H superlattice MoS2 under high energy electron beam

NASA Astrophysics Data System (ADS)

Reshmi, S.; Akshaya, M. V.; Satpati, Biswarup; Basu, Palash Kumar; Bhattacharjee, K.

2018-05-01

Coplanar heterojunctions composed of van der Waals layered materials with different structural polymorphs have drawn immense interest recently due to low contact resistance and high carrier injection rate owing to low Schottky barrier height. Present research has largely focused on efficient exfoliation of these layered materials and their restacking to achieve better performances. We present here a microwave assisted easy, fast and efficient route to induce high concentration of metallic 1T phase in the original 2H matrix of exfoliated MoS2 layers and thus facilitating the formation of a 1T-2H coplanar superlattice phase. High resolution transmission electron microscopy (HRTEM) investigations reveal formation of highly crystalline 1T-2H hybridized structure with sharp interface and disclose the evidence of surface ripplocations within the same exfoliated layer of MoS2. In this work, the structural stability of 1T-2H superlattice phase during HRTEM measurements under an electron beam of energy 300 keV is reported. This structural stability could be either associated to the change in electronic configuration due to induction of the restacked hybridized phase with 1T- and 2H-regions or to the formation of the surface ripplocations. Surface ripplocations can act as an additional source of scattering centers to the electron beam and also it is possible that a pulse train of propagating ripplocations can sweep out the defects via interaction from specific areas of MoS2 sheets.

Band alignments in Fe/graphene/Si(001) junctions studied by x-ray photoemission spectroscopy

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

Le Breton, J.-C., E-mail: jean-christophe.lebreton@univ-rennes1.fr; Tricot, S.; Delhaye, G.

2016-08-01

The control of tunnel contact resistance is of primary importance for semiconductor-based spintronic devices. This control is hardly achieved with conventional oxide-based tunnel barriers due to deposition-induced interface states. Manipulation of single 2D atomic crystals (such as graphene sheets) weakly interacting with their substrate might represent an alternative and efficient way to design new heterostructures for a variety of different purposes including spin injection into semiconductors. In the present paper, we study by x-ray photoemission spectroscopy the band alignments and interface chemistry of iron–graphene-hydrogenated passivated silicon (001) surfaces for a low and a high n-doping concentration. We find that themore » hydrogen passivation of the Si(001) surface remains efficient even with a graphene sheet on the Si(001) surface. For both doping concentrations, the semiconductor is close to flat-band conditions which indicates that the Fermi level is unpinned on the semiconductor side of the Graphene/Si(001):H interface. When iron is deposited on the graphene/Si(001):H structures, the Schottky barrier height remains mainly unaffected by the metallic overlayer with a very low barrier height for electrons, a sought-after property in semiconductor based spintronic devices. Finally, we demonstrate that the graphene layer intercalated between the metal and semiconductor also serves as a protection against iron-silicide formation even at elevated temperatures preventing from the formation of a Si-based magnetic dead layer.« less

Understanding pH Effects on Trichloroethylene and Perchloroethylene Adsorption to Iron in Permeable Reactive Barriers for Groundwater Remediation.

PubMed

Luo, Jing; Farrell, James

2013-01-01

Metallic iron filings are becoming increasing used in permeable reactive barriers for remediating groundwater contaminated by chlorinated solvents. Understanding solution pH effects on rates of reductive dechlorination in permeable reactive barriers is essential for designing remediation systems that can meet treatment objectives under conditions of varying groundwater properties. The objective of this research was to investigate how the solution pH value affects adsorption of trichloroethylene (TCE) and perchloroethylene (PCE) on metallic iron surfaces. Because adsorption is first required before reductive dechlorination can occur, pH effects on halocarbon adsorption energies may explain pH effects on dechlorination rates. Adsorption energies for TCE and PCE were calculated via molecular mechanics simulations using the Universal force field and a self-consistent reaction field charge equilibration scheme. A range in solution pH values was simulated by varying the amount of atomic hydrogen adsorbed on the iron. The potential energies associated TCE and PCE complexes were dominated by electrostatic interactions, and complex formation with the surface was found to result in significant electron transfer from the iron to the adsorbed halocarbons. Adsorbed atomic hydrogen was found to lower the energies of TCE complexes more than those for PCE. Attractions between atomic hydrogen and iron atoms were more favorable when TCE versus PCE was adsorbed to the iron surface. These two findings are consistent with the experimental observation that changes in solution pH affect TCE reaction rates more than those for PCE.

Band alignments in Fe/graphene/Si(001) junctions studied by x-ray photoemission spectroscopy

NASA Astrophysics Data System (ADS)

Le Breton, J.-C.; Tricot, S.; Delhaye, G.; Lépine, B.; Turban, P.; Schieffer, P.

2016-08-01

The control of tunnel contact resistance is of primary importance for semiconductor-based spintronic devices. This control is hardly achieved with conventional oxide-based tunnel barriers due to deposition-induced interface states. Manipulation of single 2D atomic crystals (such as graphene sheets) weakly interacting with their substrate might represent an alternative and efficient way to design new heterostructures for a variety of different purposes including spin injection into semiconductors. In the present paper, we study by x-ray photoemission spectroscopy the band alignments and interface chemistry of iron-graphene-hydrogenated passivated silicon (001) surfaces for a low and a high n-doping concentration. We find that the hydrogen passivation of the Si(001) surface remains efficient even with a graphene sheet on the Si(001) surface. For both doping concentrations, the semiconductor is close to flat-band conditions which indicates that the Fermi level is unpinned on the semiconductor side of the Graphene/Si(001):H interface. When iron is deposited on the graphene/Si(001):H structures, the Schottky barrier height remains mainly unaffected by the metallic overlayer with a very low barrier height for electrons, a sought-after property in semiconductor based spintronic devices. Finally, we demonstrate that the graphene layer intercalated between the metal and semiconductor also serves as a protection against iron-silicide formation even at elevated temperatures preventing from the formation of a Si-based magnetic dead layer.

Excited state conformational dynamics in carotenoids: dark intermediates and excitation energy transfer.

PubMed

Beck, Warren F; Bishop, Michael M; Roscioli, Jerome D; Ghosh, Soumen; Frank, Harry A

2015-04-15

A consideration of the excited state potential energy surfaces of carotenoids develops a new hypothesis for the nature of the conformational motions that follow optical preparation of the S2 (1(1)Bu(+)) state. After an initial displacement from the Franck-Condon geometry along bond length alternation coordinates, it is suggested that carotenoids pass over a transition-state barrier leading to twisted conformations. This hypothesis leads to assignments for several dark intermediate states encountered in femtosecond spectroscopic studies. The Sx state is assigned to the structure reached upon the onset of torsional motions near the transition state barrier that divides planar and twisted structures on the S2 state potential energy surface. The X state, detected recently in two-dimensional electronic spectra, corresponds to a twisted structure well past the barrier and approaching the S2 state torsional minimum. Lastly, the S(∗) state is assigned to a low lying S1 state structure with intramolecular charge transfer character (ICT) and a pyramidal conformation. It follows that the bent and twisted structures of carotenoids that are found in photosynthetic light-harvesting proteins yield excited-state structures that favor the development of an ICT character and optimized energy transfer yields to (bacterio)chlorophyll acceptors. Copyright © 2015 Elsevier Inc. All rights reserved.

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

Harris, J.M.

Chemical phenomena occurring at boundaries between insulating solids and liquids (adsorption, partition, monolayer self-assembly, catalysis, and chemical reactions) are important to energy-related analytical chemistry. These phenomena are central to chromatography, solid-phase extraction, immobilized analytical reagents, and optical sensors. Chemical interactions in these processes cannot generally be identified solely by equilibrium surface concentrations, since the steady-state behavior does not reveal the mechanism or rates of surface reactions. Goal therefore is to develop surface-sensitive spectroscopies by which chemical kinetics at liquid/solid interfaces can be observed on time-scales from nanoseconds to seconds. In the first year, we have used Joule-discharge heating kinetics tomore » study pore structure of silica gels; effects of pore diameter, particle size, and chemical modification on pore connectivity were investigated. Temperature-jump relaxation measurements of sorption/desorption kinetics at liquid/solid interfaces were also carried out using Joule heating; kinetic barriers to sorption of ions from solution were found for both C18 and Cl surfaces. Through a collaboration with Fritz-Haber Institute in Berlin, we were able to acquire laser temperature-jump data on kinetics at liquid/solid interfaces using a colloidal sample. We also quantified the rate of migration of covalently attached ligands on silica surfaces; from the temperature dependence, the large energy barrier to migration was estimated. A review of applications of electronic spectroscopy (absorption and fluorescence) to reversed-phase chromatographic interfaces was published.« less

Efficacy of atmospheric pressure dielectric barrier discharge for inactivating airborne pathogens

DOE PAGES

Romero-Mangado, Jaione; Dey, Avishek; Diaz-Cartagena, Diana C.; ...

2017-07-05

Atmospheric pressure plasmas have gained attention in recent years for several environmental applications. This technology could potentially be used to deactivate airborne microorganisms, surface-bound microorganisms, and biofilms. Here, the authors explore the efficacy of the atmospheric pressure dielectric barrier discharge (DBD) to inactivate airborne Staphylococcus epidermidis and Aspergillus niger that are opportunistic pathogens associated with nosocomial infections. This technology uses air as the source of gas and does not require any process gas such as helium, argon, nitrogen, or hydrogen. Moreover, the effect of DBD was studied on aerosolized S. epidermidis and aerosolized A. niger spores via scanning electron microscopymore » (SEM). The morphology observed on the SEM micrographs showed deformations in the cellular structure of both microorganisms. Cell structure damage upon interaction with the DBD suggests leakage of vital cellular materials, which is a key mechanism for microbial inactivation. The chemical structure of the cell surface of S. epidermidis was also analyzed by near edge x-ray absorption fine structure spectroscopy before and after DBD exposure. Our results from surface analysis revealed that reactive oxygen species from the DBD discharge contributed to alterations on the chemistry of the cell membrane/cell wall of S. epidermidis.« less

Screening based approach and dehydrogenation kinetics for MgH2: Guide to find suitable dopant using first-principles approach.

PubMed

Kumar, E Mathan; Rajkamal, A; Thapa, Ranjit

2017-11-14

First-principles based calculations are performed to investigate the dehydrogenation kinetics considering doping at various layers of MgH 2 (110) surface. Doping at first and second layer of MgH 2 (110) has a significant role in lowering the H 2 desorption (from surface) barrier energy, whereas the doping at third layer has no impact on the barrier energy. Molecular dynamics calculations are also performed to check the bonding strength, clusterization, and system stability. We study in details about the influence of doping on dehydrogenation, considering the screening factors such as formation enthalpy, bulk modulus, and gravimetric density. Screening based approach assist in finding Al and Sc as the best possible dopant in lowering of desorption temperature, while preserving similar gravimetric density and Bulk modulus as of pure MgH 2 system. The electron localization function plot and population analysis illustrate that the bond between Dopant-Hydrogen is mainly covalent, which weaken the Mg-Hydrogen bonds. Overall we observed that Al as dopant is suitable and surface doping can help in lowering the desorption temperature. So layer dependent doping studies can help to find the best possible reversible hydride based hydrogen storage materials.

Efficacy of atmospheric pressure dielectric barrier discharge for inactivating airborne pathogens

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

Romero-Mangado, Jaione; Dey, Avishek; Diaz-Cartagena, Diana C.

Atmospheric pressure plasmas have gained attention in recent years for several environmental applications. This technology could potentially be used to deactivate airborne microorganisms, surface-bound microorganisms, and biofilms. Here, the authors explore the efficacy of the atmospheric pressure dielectric barrier discharge (DBD) to inactivate airborne Staphylococcus epidermidis and Aspergillus niger that are opportunistic pathogens associated with nosocomial infections. This technology uses air as the source of gas and does not require any process gas such as helium, argon, nitrogen, or hydrogen. Moreover, the effect of DBD was studied on aerosolized S. epidermidis and aerosolized A. niger spores via scanning electron microscopymore » (SEM). The morphology observed on the SEM micrographs showed deformations in the cellular structure of both microorganisms. Cell structure damage upon interaction with the DBD suggests leakage of vital cellular materials, which is a key mechanism for microbial inactivation. The chemical structure of the cell surface of S. epidermidis was also analyzed by near edge x-ray absorption fine structure spectroscopy before and after DBD exposure. Our results from surface analysis revealed that reactive oxygen species from the DBD discharge contributed to alterations on the chemistry of the cell membrane/cell wall of S. epidermidis.« less

Quantum-Sequencing: Biophysics of quantum tunneling through nucleic acids

NASA Astrophysics Data System (ADS)

Casamada Ribot, Josep; Chatterjee, Anushree; Nagpal, Prashant

2014-03-01

Tunneling microscopy and spectroscopy has extensively been used in physical surface sciences to study quantum tunneling to measure electronic local density of states of nanomaterials and to characterize adsorbed species. Quantum-Sequencing (Q-Seq) is a new method based on tunneling microscopy for electronic sequencing of single molecule of nucleic acids. A major goal of third-generation sequencing technologies is to develop a fast, reliable, enzyme-free single-molecule sequencing method. Here, we present the unique ``electronic fingerprints'' for all nucleotides on DNA and RNA using Q-Seq along their intrinsic biophysical parameters. We have analyzed tunneling spectra for the nucleotides at different pH conditions and analyzed the HOMO, LUMO and energy gap for all of them. In addition we show a number of biophysical parameters to further characterize all nucleobases (electron and hole transition voltage and energy barriers). These results highlight the robustness of Q-Seq as a technique for next-generation sequencing.

Evidence for decoupled electron and proton transfer in the electrochemical oxidation of ammonia on Pt(100)

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

Katsounaros, Ioannis; Chen, Ting; Gewirth, Andrew A.

The two traditional mechanisms of the electrochemical ammonia oxidation consider only concerted proton-electron transfer elementary steps and thus they predict that the rate–potential relationship is independent of the pH on the pH-corrected RHE potential scale. In this letter we show that this is not the case: the increase of the solution pH shifts the onset of the NH 3-to-N 2 oxidation on Pt(100) to lower potentials and also leads to higher surface concentration of formed N Oad before the latter is oxidized to nitrite. Therefore, we present a new mechanism for the ammonia oxidation which incorporates a deprotonation step occurringmore » prior to the electron transfer. The deprotonation step yields a negatively charged surface-adsorbed species which is discharged in a subsequent electron transfer step before the N–N bond formation. The negatively charged species is thus a precursor for the formation of N 2 and NO. The new mechanism should be a future guide for computational studies aiming at the identification of intermediates and corresponding activation barriers for the elementary steps. As a result, ammonia oxidation is a new example of a bond-forming reaction on (100) terraces which involves decoupled proton-electron transfer.« less

Evidence for decoupled electron and proton transfer in the electrochemical oxidation of ammonia on Pt(100)

DOE PAGES

Katsounaros, Ioannis; Chen, Ting; Gewirth, Andrew A.; ...

2016-01-12

The two traditional mechanisms of the electrochemical ammonia oxidation consider only concerted proton-electron transfer elementary steps and thus they predict that the rate–potential relationship is independent of the pH on the pH-corrected RHE potential scale. In this letter we show that this is not the case: the increase of the solution pH shifts the onset of the NH 3-to-N 2 oxidation on Pt(100) to lower potentials and also leads to higher surface concentration of formed N Oad before the latter is oxidized to nitrite. Therefore, we present a new mechanism for the ammonia oxidation which incorporates a deprotonation step occurringmore » prior to the electron transfer. The deprotonation step yields a negatively charged surface-adsorbed species which is discharged in a subsequent electron transfer step before the N–N bond formation. The negatively charged species is thus a precursor for the formation of N 2 and NO. The new mechanism should be a future guide for computational studies aiming at the identification of intermediates and corresponding activation barriers for the elementary steps. As a result, ammonia oxidation is a new example of a bond-forming reaction on (100) terraces which involves decoupled proton-electron transfer.« less

Instrumentation and Measurements for Electron Emission from Charged Insulators

NASA Technical Reports Server (NTRS)

Sim, Alec M.

2005-01-01

The electron was first discovered in 1898 by Sir John Joseph Thomson and has since been the subject of detailed study by nearly every scientific discipline. At nearly the same time Heinrich Rudolf Hertz conducted a series of experiments using cathode tubes, high potentials and ultraviolet light. When applying a large potential to a cathode he found that an arching event across the metal plates would occur. In addition, when shining an ultraviolet light on the metal he found that less potential was required to induce the spark. This result, taken together with other electrical phenomena brought about by the shining of light upon metal and was eventually termed the photoelectric effect. The work of Thomson and Hertz represent the beginning of electron emission studies and a body of ideas that pervade nearly all aspects of physics. In particular these ideas tell us a great deal about the nature of physical interactions within solids. In this thesis we will focus on the emission of electrons induced by an incident electron source over a range of energies, in which one can observe changes in emitted electron flux and energy distribution. In particular, when energetic particles impinge on a solid they can impart their energy, exciting electrons within the material. If this energy is sufficient to overcome surface energy barriers such as the work function, electron affinity or surface charge potential, electrons can escape from the material. The extent of electron emission from the material can be quantified as the ratio of incident particle flux to emitted particle flux, and is termed the electron yield.

First principles studies on anatase surfaces

NASA Astrophysics Data System (ADS)

Selcuk, Sencer

TiO2 is one of the most widely studied metal oxides from both the fundamental and the technological points of view. A variety of applications have already been developed in the fields of energy production, environmental remediation, and electronics. Still, it is considered to have a high potential for further improvement and continues to be of great interest. This thesis describes our theoretical studies on the structural and electronic properties of anatase surfaces, and their (photo)chemical behavior. Recently much attention has been focused on anatase crystals synthesized by hydrofluoric acid assisted methods. These crystals exhibit a high percentage of {001} facets, generally considered to be highly reactive. We used first principles methods to investigate the structure of these facets, which is not yet well understood. Our results suggest that (001) surfaces exhibit the bulk-terminated structure when in contact with concentrated HF solutions. However, 1x4-reconstructed surfaces, as observed in UHV, become always more stable at the typical temperatures used to clean the as-prepared crystals in experiments. Since the reconstructed surfaces are only weakly reactive, we predict that synthetic anatase crystals with dominant {001} facets should not exhibit enhanced photocatalytic activity. Understanding how defects in solids interact with external electric fields is important for technological applications such as memristor devices. We studied the influence of an external electric field on the formation energies and diffusion barriers of the surface and the subsurface oxygen vacancies at the anatase (101) surface from first principles. Our results show that the applied field can have a significant influence on the relative stabilities of these defects, whereas the effect on the subsurface-to-surface defect migration is found to be relatively minor. Charge carriers play a key role in the transport properties and the surface chemistry of TiO2. Understanding their behavior is essential for further improving the technologically relevant features of this material. We used first principles simulations to study the dynamical behavior of excess electrons near the anatase (101) and (001) surfaces, and their interfaces with water. Excess electrons prefer localizing on the (101) surface, also triggering water dissociation on this surface, while they strongly avoid the (001) surface.

Capacitive coupling in hybrid graphene/GaAs nanostructures

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

Simonet, Pauline, E-mail: psimonet@phys.ethz.ch; Rössler, Clemens; Krähenmann, Tobias

2015-07-13

Coupled hybrid nanostructures are demonstrated using the combination of lithographically patterned graphene on top of a two-dimensional electron gas (2DEG) buried in a GaAs/AlGaAs heterostructure. The graphene forms Schottky barriers at the surface of the heterostructure and therefore allows tuning the electronic density of the 2DEG. Conversely, the 2DEG potential can tune the graphene Fermi energy. Graphene-defined quantum point contacts in the 2DEG show half-plateaus of quantized conductance in finite bias spectroscopy and display the 0.7 anomaly for a large range of densities in the constriction, testifying to their good electronic properties. Finally, we demonstrate that the GaAs nanostructure canmore » detect charges in the vicinity of the heterostructure's surface. This confirms the strong coupling of the hybrid device: localized states in the graphene ribbon could, in principle, be probed by the underlying confined channel. The present hybrid graphene/GaAs nanostructures are promising for the investigation of strong interactions and coherent coupling between the two fundamentally different materials.« less

Au nanoparticle-decorated silicon pyramids for plasmon-enhanced hot electron near-infrared photodetection.

PubMed

Qi, Zhiyang; Zhai, Yusheng; Wen, Long; Wang, Qilong; Chen, Qin; Iqbal, Sami; Chen, Guangdian; Xu, Ji; Tu, Yan

2017-05-22

The heterojunction between metal and silicon (Si) is an attractive route to extend the response of Si-based photodiodes into the near-infrared (NIR) region, so-called Schottky barrier diodes. Photons absorbed into a metallic nanostructure excite the surface plasmon resonances (SPRs), which can be damped non-radiatively through the creation of hot electrons. Unfortunately, the quantum efficiency of hot electron detectors remains low due to low optical absorption and poor electron injection efficiency. In this study, we propose an efficient and low-cost plasmonic hot electron NIR photodetector based on a Au nanoparticle (Au NP)-decorated Si pyramid Schottky junction. The large-area and lithography-free photodetector is realized by using an anisotropic chemical wet etching and rapid thermal annealing (RTA) of a thin Au film. We experimentally demonstrate that these hot electron detectors have broad photoresponsivity spectra in the NIR region of 1200-1475 nm, with a low dark current on the order of 10 -5 A cm -2 . The observed responsivities enable these devices to be competitive with other reported Si-based NIR hot electron photodetectors using perfectly periodic nanostructures. The improved performance is attributed to the pyramid surface which can enhance light trapping and the localized electric field, and the nano-sized Au NPs which are beneficial for the tunneling of hot electrons. The simple and large-area preparation processes make them suitable for large-scale thermophotovoltaic cell and low-cost NIR detection applications.

Au nanoparticle-decorated silicon pyramids for plasmon-enhanced hot electron near-infrared photodetection

NASA Astrophysics Data System (ADS)

Qi, Zhiyang; Zhai, Yusheng; Wen, Long; Wang, Qilong; Chen, Qin; Iqbal, Sami; Chen, Guangdian; Xu, Ji; Tu, Yan

2017-07-01

The heterojunction between metal and silicon (Si) is an attractive route to extend the response of Si-based photodiodes into the near-infrared (NIR) region, so-called Schottky barrier diodes. Photons absorbed into a metallic nanostructure excite the surface plasmon resonances (SPRs), which can be damped non-radiatively through the creation of hot electrons. Unfortunately, the quantum efficiency of hot electron detectors remains low due to low optical absorption and poor electron injection efficiency. In this study, we propose an efficient and low-cost plasmonic hot electron NIR photodetector based on a Au nanoparticle (Au NP)-decorated Si pyramid Schottky junction. The large-area and lithography-free photodetector is realized by using an anisotropic chemical wet etching and rapid thermal annealing (RTA) of a thin Au film. We experimentally demonstrate that these hot electron detectors have broad photoresponsivity spectra in the NIR region of 1200-1475 nm, with a low dark current on the order of 10-5 A cm-2. The observed responsivities enable these devices to be competitive with other reported Si-based NIR hot electron photodetectors using perfectly periodic nanostructures. The improved performance is attributed to the pyramid surface which can enhance light trapping and the localized electric field, and the nano-sized Au NPs which are beneficial for the tunneling of hot electrons. The simple and large-area preparation processes make them suitable for large-scale thermophotovoltaic cell and low-cost NIR detection applications.

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

Han, Chang W.; Iddir, Hakim; Uzun, Alper

To address the challenge of fast, direct atomic-scale visualization of the diffusion of atoms and clusters on surfaces, we used aberration-corrected scanning transmission electron microscopy (STEM) with high scan speeds (as little as ~0.1 s per frame) to visualize the diffusion of (1) a heavy atom (Ir) on the surface of a support consisting of light atoms, MgO(100), and (2) an Ir 3 cluster on MgO(110). Sequential Z-contrast images elucidate the diffusion mechanisms, including the hopping of Ir1 and the rotational migration of Ir 3 as two Ir atoms remain anchored to the surface. Density functional theory (DFT) calculations providedmore » estimates of the diffusion energy barriers and binding energies of the iridium species to the surfaces. The results show how the combination of fast-scan STEM and DFT calculations allow real-time visualization and fundamental understanding of surface diffusion phenomena pertaining to supported catalysts and other materials.« less

Polyurethane membranes for surgical gown applications

NASA Astrophysics Data System (ADS)

Ukpabi, Pauline Ozoemena

The Occupational Safety and Health Administration (OSHA) recently issued a directive requiring all employers to supply personnel protective equipment to employees who are at risk of exposure to blood or other potentially infectious body fluids. For the healthcare worker, a wide variety of surgical gowns is available commercially but there are concerns over their barrier effectiveness and/or wearer comfort. To successfully create a barrier fabric which combines resistance to fluid penetration with comfort, a complete understanding of the relationship between membrane structure and functional properties is required. In this study, we investigated the surface properties of hydrophilicity and hydrophobicity in polyurethane membranes intended for use in surgical gowns. The polyurethane membranes were grafted with side chains of varying lengths, polyethylene glycol (PEG) being used for the hydrophilic modifications and perfluoroalkyl compounds (a monofunctional acid and a difunctional amino alcohol) for the hydrophobic modifications. The hydrophilic treatment was intended to improve the comfort properties of monolithic membranes without adversely affecting their barrier properties. The hydrophobic treatment, on the other hand, was intended to improve the fluid repellency and hence barrier properties of microporous membranes without adversely affecting their comfort properties. Reflection infrared spectroscopy showed that fluorine was successfully grafted onto the polyurethane backbone during the hydrophobic modification, but was not sensitive enough to detect PEG grafting in leached polyethylene glycol-treated polyurethanes. X-ray photoelectron spectroscopy showed that the perfluoroalkylated polyurethanes contained up to 40% fluorine on their surfaces and the PEG-treated polyurethanes showed an increase in their C-O content over the unmodified polyurethane. Scanning electron microscopy not only showed that perfluoroalkylation yielded polyurethane membranes with very rough surfaces compared to the unmodified membrane, it also showed varying degrees of surface roughness on the perfluoroalkylated polyurethanes depending on whether the monofunctional acid or the difunctional amino alcohol was used as modifier. The PEG-treated samples exhibited smooth surfaces under the SEM. Perfluoroalkylation yielded samples with slightly higher contact angles than the untreated polyurethane while the PEG treatment resulted in polyurethanes with lower contact angles than the untreated polyurethane. The perfluoroalkylated materials were more thermally stable than the unmodified polyurethanes.

Effect of germanium concentrations on tunnelling current calculation of Si/Si1-xGex/Si heterojunction bipolar transistor

NASA Astrophysics Data System (ADS)

Hasanah, L.; Suhendi, E.; Khairrurijal

2018-05-01

Tunelling current calculation on Si/Si1-xGex/Si heterojunction bipolar transistor was carried out by including the coupling between transversal and longitudinal components of electron motion. The calculation results indicated that the coupling between kinetic energy in parallel and perpendicular to S1-xGex barrier surface affected tunneling current significantly when electron velocity was faster than 1x105 m/s. This analytical tunneling current model was then used to study how the germanium concentration in base to Si/Si1-xGex/Si heterojunction bipolar transistor influenced the tunneling current. It is obtained that tunneling current increased as the germanium concentration given in base decreased.

Effect of nonlocal electron kinetics on the characteristics of a dielectric barrier discharge in xenon

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

Avtaeva, S. V.; Skornyakov, A. V.

2009-07-15

The established dynamics of a dielectric barrier discharge in xenon at a pressure of 400 Torr is simulated in the framework of a one-dimensional fluid model in the local and nonlocal field approximations. It is shown that taking into account the nonlocal character of the electric field does not qualitatively change physical processes in a dielectric barrier discharge, but significantly affects its quantitative characteristics. In particular, the sheath thickness decreases, plasma ionization intensifies, the spatiotemporal distribution of the mean electron energy changes, and the discharge radiation efficiency increases. Electron kinetics in a dielectric barrier discharge in xenon is analyzed usingmore » the nonlocal field approximation.« less

Relieved kink effects in symmetrically graded In0.45Al0.55As/InxGa1-xAs metamorphic high-electron-mobility transistors

NASA Astrophysics Data System (ADS)

Lee, Ching-Sung; Liao, Chen-Hsian

2007-12-01

Kink effects in an In-rich InxGa1-xAs (x=0.53-0.63) linearly graded channel of an In0.45Al0.55As/InxGa1-xAs metamorphic high-electron-mobility transistor have been effectively relieved by depositing a high-barrier Ni /Au gate with the silicon nitride passivation. Complete physical investigations for the relieved kink effects have been made by comparing identical devices with/without a high-barrier Schottky gate or the surface passivation. After successfully suppressing the kink effects, the proposed device has shown a superior voltage gain of 173.8, low output conductance of 2.09mS/mm, and excellent power-added efficiency of 54.1% with high output power (power gain) of 14.87dBm (14.53dB). Improved linearity and excellent thermal threshold coefficient (∂Vth/∂T) of -0.14mV/K have also been achieved. The proposed design provides good potential for high-gain and high-linearity circuit applications.

Plasma-assisted Molecular Beam Epitaxy of N-polar InAlN-barrier High-electron-mobility Transistors.

PubMed

Hardy, Matthew T; Storm, David F; Katzer, D Scott; Downey, Brian P; Nepal, Neeraj; Meyer, David J

2016-11-24

Plasma-assisted molecular beam epitaxy is well suited for the epitaxial growth of III-nitride thin films and heterostructures with smooth, abrupt interfaces required for high-quality high-electron-mobility transistors (HEMTs). A procedure is presented for the growth of N-polar InAlN HEMTs, including wafer preparation and growth of buffer layers, the InAlN barrier layer, AlN and GaN interlayers and the GaN channel. Critical issues at each step of the process are identified, such as avoiding Ga accumulation in the GaN buffer, the role of temperature on InAlN compositional homogeneity, and the use of Ga flux during the AlN interlayer and the interrupt prior to GaN channel growth. Compositionally homogeneous N-polar InAlN thin films are demonstrated with surface root-mean-squared roughness as low as 0.19 nm and InAlN-based HEMT structures are reported having mobility as high as 1,750 cm 2 /V∙sec for devices with a sheet charge density of 1.7 x 10 13 cm -2 .

Monitoring the Vadose Zone Moisture Regime Below a Surface Barrier

NASA Astrophysics Data System (ADS)

Zhang, Z. F.; Strickland, C. E.; Field, J. G.

2009-12-01

A 6000 m2 interim surface barrier has been constructed over a portion of the T Tank Farm in the Depart of Energy’s Hanford site. The purpose of using a surface barrier was to reduce or eliminate the infiltration of meteoric precipitation into the contaminated soil zone due to past leaks from Tank T-106 and hence to reduce the rate of movement of the plume. As part of the demonstration effort, vadose zone moisture is being monitored to assess the effectiveness of the barrier on the reduction of soil moisture flow. A vadose zone monitoring system was installed to measure soil water conditions at four horizontal locations (i.e., instrument Nests A, B, C, and D) outside, near the edge of, and beneath the barrier. Each instrument nest consists of a capacitance probe with multiple sensors, multiple heat-dissipation units, and a neutron probe access tube used to measure soil-water content and soil-water pressure. Nest A serves as a control by providing subsurface conditions outside the influence of the surface barrier. Nest B provides subsurface measurements to assess barrier edge effects. Nests C and D are used to assess the impact of the surface barrier on soil-moisture conditions beneath it. Monitoring began in September 2006 and continues to the present. To date, the monitoring system has provided high-quality data. Results show that the soil beneath the barrier has been draining from the shallower depth. The lack of climate-caused seasonal variation of soil water condition beneath the barrier indicates that the surface barrier has minimized water exchange between the soil and the atmosphere.

Surface pre-treatment for barrier coatings on polyethylene terephthalate

NASA Astrophysics Data System (ADS)

Bahre, H.; Bahroun, K.; Behm, H.; Steves, S.; Awakowicz, P.; Böke, M.; Hopmann, Ch; Winter, J.

2013-02-01

Polymers have favourable properties such as light weight, flexibility and transparency. Consequently, this makes them suitable for food packaging, organic light-emitting diodes and flexible solar cells. Nonetheless, raw plastics do not possess sufficient barrier functionality against oxygen and water vapour, which is of paramount importance for most applications. A widespread solution is to deposit thin silicon oxide layers using plasma processes. However, silicon oxide layers do not always fulfil the requirements concerning adhesion and barrier performance when deposited on films. Thus, plasma pre-treatment is often necessary. To analyse the influence of a plasma-based pre-treatment on barrier performance, different plasma pre-treatments on three reactor setups were applied to a very smooth polyethylene terephthalate film before depositing a silicon oxide barrier layer. In this paper, the influence of oxygen and argon plasma pre-treatments towards the barrier performance is discussed examining the chemical and topological change of the film. It was observed that a short one-to-ten-second plasma treatment can reduce the oxygen transmission rate by a factor of five. The surface chemistry and the surface topography change significantly for these short treatment times, leading to an increased surface energy. The surface roughness rises slowly due to the development of small spots in the nanometre range. For very long treatment times, surface roughness of the order of the barrier layer's thickness results in a complete loss of barrier properties. During plasma pre-treatment, the trade-off between surface activation and roughening of the surface has to be carefully considered.

Effect of contact barrier on electron transport in graphene.

PubMed

Zhou, Yang-Bo; Han, Bing-Hong; Liao, Zhi-Min; Zhao, Qing; Xu, Jun; Yu, Da-Peng

2010-01-14

The influence of the barrier between metal electrodes and graphene on the electrical properties was studied on a two-electrode device. A classical barrier model was used to analyze the current-voltage characteristics. Primary parameters including barrier height and effective resistance were achieved. The electron transport properties under magnetic field were further investigated. An abnormal peak-valley-peak shape of voltage-magnetoresistance curve was observed. The underlying mechanisms were discussed under the consideration of the important influence of the contact barrier. Our results indicate electrical properties of graphene based devices are sensitive to the contact interface.

Characterization of low-pressure microwave and radio frequency discharges in oxygen applying optical emission spectroscopy and multipole resonance probe

NASA Astrophysics Data System (ADS)

Steves, Simon; Styrnoll, Tim; Mitschker, Felix; Bienholz, Stefan; Nikita, Bibinov; Awakowicz, Peter

2013-11-01

Optical emission spectroscopy (OES) and multipole resonance probe (MRP) are adopted to characterize low-pressure microwave (MW) and radio frequency (RF) discharges in oxygen. In this context, both discharges are usually applied for the deposition of permeation barrier SiOx films on plastic foils or the inner surface of plastic bottles. For technological reasons the MW excitation is modulated and a continuous wave (cw) RF bias is used. The RF voltage produces a stationary low-density plasma, whereas the high-density MW discharge is pulsed. For the optimization of deposition process and the quality of the deposited barrier films, plasma conditions are characterized using OES and MRP. To simplify the comparison of applied diagnostics, both MW and RF discharges are studied separately in cw mode. The OES and MRP diagnostic methods complement each other and provide reliable information about electron density and electron temperature. In the MW case, electron density amounts to ne = (1.25 ± 0.26) × 1017 m-3, and kTe to 1.93 ± 0.20 eV, in the RF case ne = (6.8 ± 1.8)×1015 m-3 and kTe = 2.6 ± 0.35 eV. The corresponding gas temperatures are 760±40 K and 440±20 K.

First-principles theoretical investigation of monoatomic and dimer Mn adsorption on noble metal (111) surfaces

NASA Astrophysics Data System (ADS)

Muñoz, Francisco; Romero, Aldo H.; Mejía-López, Jose; Morán-López, J. L.

2012-03-01

A theoretical investigation of the adsorption of Mn single atoms and dimers on the (111) surface of Cu, Ag, and Au, within the framework of the density functional theory, is presented. First, the bulk and the clean (111) surface electronic structures are calculated, with results that agree well with previous reports. To understand the adatom-substrate interaction, also the electronic characteristics of the free Mn dimer are determined. Then, the electronic structure of the Mn adatom, chemisorbed on four different surface geometries, is analyzed for the three noble metals. It is found that the most stable geometry, in all three cases, Cu, Ag, and Au, occurs when the Mn atom is chemisorbed on threefold coordinated sites. For the dimer, the lowest-energy configuration corresponds to the molecule lying parallel to the surface. In the three noble metals, the geometry corresponds to both atoms chemisorbed in threefold coordinated sites, but with different local symmetry. It is also found that the magnetic configuration with the lowest energy corresponds to the antiferromagnetic arrangement of Mn atoms, with individual magnetic moments close to 5μB. The ferromagnetic and antiferromagnetic solutions, in the case of a Ag substrate, are close in energy. It is also found that in this case the Mn2 molecule is chemisorbed with very similar energy on various geometries. To study the dynamical motion of the dimer components, we calculated the potential energy barriers for the Mn motion in the various surfaces. In contrast to Cu and Au, this leads to the conclusion that on Ag the Mn dimer moves relatively freely.

Theoretical analysis of nBn infrared photodetectors

NASA Astrophysics Data System (ADS)

Ting, David Z.; Soibel, Alexander; Khoshakhlagh, Arezou; Gunapala, Sarath D.

2017-09-01

The depletion and surface leakage dark current suppression properties of unipolar barrier device architectures such as the nBn have been highly beneficial for III-V semiconductor-based infrared detectors. Using a one-dimensional drift-diffusion model, we theoretically examine the effects of contact doping, minority carrier lifetime, and absorber doping on the dark current characteristics of nBn detectors to explore some basic aspects of their operation. We found that in a properly designed nBn detector with highly doped excluding contacts the minority carriers are extracted to nonequilibrium levels under reverse bias in the same manner as the high operating temperature (HOT) detector structure. Longer absorber Shockley-Read-Hall (SRH) lifetimes result in lower diffusion and depletion dark currents. Higher absorber doping can also lead to lower diffusion and depletion dark currents, but the benefit should be weighted against the possibility of reduced diffusion length due to shortened SRH lifetime. We also briefly examined nBn structures with unintended minority carrier blocking barriers due to excessive n-doping in the unipolar electron barrier, or due to a positive valence band offset between the barrier and the absorber. Both types of hole blocking structures lead to higher turn-on bias, although barrier n-doping could help suppress depletion dark current.

Stability diagrams for the surface patterns of GaN(0001bar) as a function of Schwoebel barrier height

NASA Astrophysics Data System (ADS)

Krzyżewski, Filip; Załuska-Kotur, Magdalena A.

2017-01-01

Height and type of Schwoebel barriers (direct or inverse) decides about the character of the surface instability. Different surface morphologies are presented. Step bunches, double steps, meanders, mounds and irregular patterns emerge at the surface as a result of step (Schwoebel) barriers at some temperature or miscut values. The study was carried out on the two-component kinetic Monte Carlo (kMC) model of GaN(0001bar) surface grown in nitrogen rich conditions. Diffusion of gallium adatoms over N-polar surface is slow and nitrogen adatoms are almost immobile. We show that in such conditions surfaces remain smooth when gallium adatoms diffuse in the presence of low inverse Schwoebel barrier. It is illustrated by adequate stability diagrams for surface morphologies.

Determination of the thickness of Al2O3 barriers in magnetic tunnel junctions

NASA Astrophysics Data System (ADS)

Buchanan, J. D. R.; Hase, T. P. A.; Tanner, B. K.; Hughes, N. D.; Hicken, R. J.

2002-07-01

The barrier thickness in magnetic spin-dependent tunnel junctions with Al2O3 barriers has been measured using grazing incidence x-ray reflectivity and by fitting the tunneling current to the Simmons model. We have studied the effect of glow discharge oxidation time on the barrier structure, revealing a substantial increase in Al2O3 thickness with oxidation. The greater thickness of barrier measured using grazing incidence x-ray reflectivity compared with that obtained by fitting current density-voltage to the Simmons electron tunneling model suggests that electron tunneling is localized to specific regions across the barrier, where the thickness is reduced by fluctuations due to nonconformal roughness.

Achieving DFT accuracy with a machine-learning interatomic potential: Thermomechanics and defects in bcc ferromagnetic iron

NASA Astrophysics Data System (ADS)

Dragoni, Daniele; Daff, Thomas D.; Csányi, Gábor; Marzari, Nicola

2018-01-01

We show that the Gaussian Approximation Potential (GAP) machine-learning framework can describe complex magnetic potential energy surfaces, taking ferromagnetic iron as a paradigmatic challenging case. The training database includes total energies, forces, and stresses obtained from density-functional theory in the generalized-gradient approximation, and comprises approximately 150,000 local atomic environments, ranging from pristine and defected bulk configurations to surfaces and generalized stacking faults with different crystallographic orientations. We find the structural, vibrational, and thermodynamic properties of the GAP model to be in excellent agreement with those obtained directly from first-principles electronic-structure calculations. There is good transferability to quantities, such as Peierls energy barriers, which are determined to a large extent by atomic configurations that were not part of the training set. We observe the benefit and the need of using highly converged electronic-structure calculations to sample a target potential energy surface. The end result is a systematically improvable potential that can achieve the same accuracy of density-functional theory calculations, but at a fraction of the computational cost.

Effects of protein inter-layers on cell-diamond FET characteristics.

PubMed

Rezek, Bohuslav; Krátká, Marie; Kromka, Alexander; Kalbacova, Marie

2010-12-15

Diamond is recognized as an attractive material for merging solid-state and biological systems. The advantage of diamond field-effect transistors (FET) is that they are chemically resistant, bio-compatible, and can operate without gate oxides. Solution-gated FETs based on H-terminated nanocrystalline diamond films exhibiting surface conductivity are employed here for studying effects of fetal bovine serum (FBS) proteins and osteoblastic SAOS-2 cells on diamond electronic properties. FBS proteins adsorbed on the diamond FETs permanently decrease diamond conductivity as reflected by the -45 mV shift of the FET transfer characteristics. Cell cultivation for 2 days results in a further shift by another -78 mV. We attribute it to a change of diamond material properties rather than purely to the field-effect. Increase in gate leakage currents (by a factor of 4) indicates that the FBS proteins also decrease the diamond-electrolyte electronic barrier induced by C-H surface dipoles. We propose a model where the proteins replace ions in the very vicinity of the H-terminated diamond surface. Copyright © 2010 Elsevier B.V. All rights reserved.

Radiation and process-induced damage in Ga2O3

NASA Astrophysics Data System (ADS)

Pearton, S. J.; Yang, Jiancheng; Ren, F.; Yang, G.; Kim, Jihyun; Stavola, M.; Kuramata, A.

2018-02-01

Ga2O3 is gaining attention for high breakdown electronics. The β-polymorph is air-stable, has a wide bandgap ( 4.6 eV) and is available in both bulk and epitaxial form. Different types of power diodes and transistors fabricated on Ga2O3 have shown impressive performance. Etching processes for Ga2O3 are needed for patterning for mesa isolation, threshold adjustment in transistors, thinning of nano-belts and selective area contact formation. Electrical damage in the near-surface region was found through barrier height changes of Schottky diodes on the etched surface. The damage is created by energetic ion bombardment, but may also consist of changes to near-surface stoichiometry through loss of lattice elements or deposition of etch residues. Annealing at 450°C removes this damage. We also discuss recent results on damage introduction by proton and electron irradiation. In this case, the carrier removal rates are found to be similar to those reported for GaN under similar conditions of dose and energy of the radiation.

The DD Cold Fusion-Transmutation Connection

NASA Astrophysics Data System (ADS)

Chubb, Talbot A.

2005-12-01

LENR theory must explain dd fusion, alpha-addition transmutations, radiationless nuclear reactions, and three-body nuclear particle reactions. Reaction without radiation requires many-body D Bloch+ periodicity in both location and internal structure dependencies. Electron scattering leads to mixed quantum states. The radiationless dd fusion reaction is 2-D Bloch+ -> {}4 He Bloch2+. Overlap between {}4 He Bloch2+ and surface Cs leads to alpha absorption. In the Iwamura et al. studies active deuterium is created by scattering at diffusion barriers.

Effect of Dielectric Barrier Discharge Plasma Actuators on Non-equilibrium Hypersonic Flows

DTIC Science & Technology

2014-10-28

goes into the kinetic energy of the electrons rather than heating of the surrounding gas.24 The examples of these include corona discharge and micro...Moreau, G. Artana, and G. Touchard, “Influence of a DC corona discharge on the airflow along an inclined flat plate,” J. Electrostat. 51–52, 300 306...10), 2554 2564 (2007). 42E. Moreau, G. Artana, and G. Touchard, “Surface corona discharge along an insulating flat plate in air applied to

Overcoming Ehrlich-Schwöbel barrier in (1 1 1)A GaAs molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Ritzmann, Julian; Schott, Rüdiger; Gross, Katherine; Reuter, Dirk; Ludwig, Arne; Wieck, Andreas D.

2018-01-01

In this work, we first study the effect of different growth parameters on the molecular beam epitaxy (MBE) growth of GaAs layers on (1 1 1)A oriented substrates. After that we present a method for the MBE growth of atomically smooth layers by sequences of growth and annealing phases. The samples exhibit low surface roughness and good electrical properties shown by atomic force microscopy (AFM), scanning electron microscopy (SEM) and van-der-Pauw Hall measurements.

Creation of fluorocarbon barriers on surfaces of starch-based products through cold plasma treatment

NASA Astrophysics Data System (ADS)

Han, Yousoo

Two kinds of starch foam trays (starch and aspen-starch foam trays) were produced using a lab model baking machine. Surfaces of the trays were treated with CF4 and SF6 plasma to create fluorine-rich layers on the surfaces, which might show strong water resistance. The plasma parameters, such like RF power, gas pressure and reaction time, were varied to evaluate the effects of each parameter on fluorination of surfaces. The atomic concentrations of fluorine, oxygen and carbon on samples' surfaces were earned from ESCA (electron spectroscopy for chemical analysis) and contact angles of sample surfaces were measured for hydrophobicity. For water resistance of plasma treated surfaces, liquid water uptake and water vapor uptake test were performed. Also, equilibrium moisture contents of unmodified and plasma treated samples were measured to evaluate biodegradability of plasma treated samples. Fluorine-rich barriers were created on sample surfaces treated with CF 4 and SF6 plasma. The fluorine atomic concentrations of treated sample surfaces were ranged from 34.4% to 64.4% (CF4 treatment) and 43.6% to 57.9% (SF6 treatment). It was found at both plasma gases that plasma parameters affected total fluorine concentration and carbon-peak shapes in ESCA surveys, which imply different distributions of mono- or multi-fluoro carbon's contents. In various reaction times, it was found that total fluorine contents were decreased after a critical point as the reaction time was prolonged, which may imply that a dominant mechanism has been changed from deposition or functionalization to etching. Oxygen atomic concentration was decreased at sample surfaces treated by both plasmas. In the case of SF6 plasma, it was proved that the removal of oxygen surely occurred because there was no addition of sulfur species. Plasma treated sample surfaces had high contact angles with distilled water up to 150° and the high values of angles have been kept constant up to for 15 minutes. Fluorine-rich barriers created by plasma showed lower water liquid and vapor permeability than untreated surfaces did. Plasma treated samples had similar moisture contents with untreated samples at all relative humidity tested. AFM and SEM images were taken for sample surfaces' morphology and topography.

Improved performance of In0.83Ga0.17As/InP photodetectors through modifying the position of In0.66Ga0.34As/InAs superlattice electron barrier

NASA Astrophysics Data System (ADS)

Shi, Yan-hui; Zhang, Yong-gang; Ma, Ying-jie; Gu, Yi; Chen, Xing-you; Gong, Qian; Du, Ben; Zhang, Jian; Zhu, Yi

2018-03-01

The performance of wavelength extended In0.83Ga0.17As/InP photodetectors has been improved notably through modifying the position of electron barriers in absorption layer. In order to fully utilize the diffusion component of the photocurrent, the In0.66Ga0.34As/InAs superlattice electron barrier is moved to the edge of the depletion region. Enhanced peak photo responsivity up to 0.84 A/W is realized, which raises 24% compared to that of a reference detector with the superlattice barrier in the middle of the absorber. The dark current slightly increases by 25% at room temperature while decreases by more than an order of magnitude at 150 K, resulting in about 10% or more than twofold improvements for the detectivity, respectively. The results suggest that optimized barrier position is a necessity for barrier-type photodetectors to achieve better performances.

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

Yan, Wei; Liu, Hongtao, E-mail: liuht100@126.com; Sun, Qinghe

A facile and quick fabrication method was proposed to prepare superhydrophobic surfaces on iron substrate by chemical immersion and subsequent stearic acid modification. The association between wettability and surface morphology was studied through altering the copper ion concentration and immersion time. Surface tension instrument, scanning electron microscopy, x-ray diffraction, x-ray photoelectron spectroscopy, and electrochemical workstation were used to characterize the wettability, physical morphology, chemical composition, and corrosion resistance ability of the prepared film. Results showed that both the rough micro/nanostructures and low surface energy material play critical roles in surface wettability. The superhydrophobic film achieved a better anticorrosion property comparedmore » to barrier iron by analysis of open circuit potential, potentiodynamic polarization curves, and Nyquist plots. In addition, the superhydrophobic surface showed excellent performance of acid and alkali resistance, anti-icing, and self-cleaning through a series of environmental tests. This study provides a valid method for quick-preparation of the stable superhydrophobic surfaces, which has a promising application in steel buildings and facilities.« less

Suppressing electron turbulence and triggering internal transport barriers with reversed magnetic shear in the National Spherical Torus Experimenta)

NASA Astrophysics Data System (ADS)

Peterson, J. L.; Bell, R.; Candy, J.; Guttenfelder, W.; Hammett, G. W.; Kaye, S. M.; LeBlanc, B.; Mikkelsen, D. R.; Smith, D. R.; Yuh, H. Y.

2012-05-01

The National Spherical Torus Experiment (NSTX) [M. Ono et al., Nucl. Fusion 40, 557 (2000)] can achieve high electron plasma confinement regimes that are super-critically unstable to the electron temperature gradient driven (ETG) instability. These plasmas, dubbed electron internal transport barriers (e-ITBs), occur when the magnetic shear becomes strongly negative. Using the gyrokinetic code GYRO [J. Candy and R. E. Waltz, J. Comput. Phys. 186, 545 (2003)], the first nonlinear ETG simulations of NSTX e-ITB plasmas reinforce this observation. Local simulations identify a strongly upshifted nonlinear critical gradient for thermal transport that depends on magnetic shear. Global simulations show e-ITB formation can occur when the magnetic shear becomes strongly negative. While the ETG-driven thermal flux at the outer edge of the barrier is large enough to be experimentally relevant, the turbulence cannot propagate past the barrier into the plasma interior.

Mechanism of Phosphine Dissociation on the Si(001) Surface

NASA Astrophysics Data System (ADS)

Warschkow, Oliver; Schofield, Steven R.; Smith, Phil V.

2005-03-01

The continued down-scaling of electronic devices to the atomic scale increasingly requires an atomic-level understanding of the elementary processes of semiconductor doping. We present a combined experimental and theoretical investigation into the dissociation mechanism of phosphine (PH3) on the Si(001) surface. As reported by us elsewhere in this conference, a number of prominent intermediate species of PH3 dissociation observed in STM experiments have been structurally characterized as PH2+H, PH+2H and P+3H species respectively. In this poster we present detailed quantum chemical calculations of these and other short-lived intermediates as well as the transition (kinetic) barriers between them. This leads us to formulate a step-by-step mechanism for the complete dissociation of PH3 on the Si(001) surface.

Spectroscopic diagnostics of plume rebound and shockwave dynamics of confined aluminum laser plasma plumes

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

Yeates, P.; Kennedy, E. T.; School of Physical Sciences, Dublin City University

2011-06-15

Generation and expansion dynamics of aluminum laser plasma plumes generated between parallel plates of varying separation ({Delta}Z = 2.0, 3.2, 4.0, and 5.6 mm), which confined plume expansion normal to the ablation surface, were diagnosed. Space and time resolved visible emission spectroscopy in the spectral range {lambda} = 355-470 nm and time gated visible imaging were employed to record emission spectra and plume dynamics. Space and time resolved profiles of N{sub e} (the electron density), T{sub e} (the electron temperature), and T{sub ionz} (the ionization temperature) were compared for different positions in the plasma plume. Significant modifications of the profilesmore » of the above parameters were observed for plasma-surface collisions at the inner surface of the front plate, which formed a barrier to the free expansion of the plasma plume generated by the laser light on the surface of the back plate. Shockwave generation at the collision interface resulted in delayed compression of the low-density plasma plume near the inner ablation surface, at late stages in the plasma history. Upon exiting the cavity formed by the two plates, through an aperture in the front plate, the plasma plume underwent a second phase of free expansion.« less

Schottky barrier height measurements of Cu/Si(001), Ag/Si(001), and Au/Si(001) interfaces utilizing ballistic electron emission microscopy and ballistic hole emission microscopy

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

Balsano, Robert; Matsubayashi, Akitomo; LaBella, Vincent P., E-mail: vlabella@albany.edu

2013-11-15

The Schottky barrier heights of both n and p doped Cu/Si(001), Ag/Si(001), and Au/Si(001) diodes were measured using ballistic electron emission microscopy and ballistic hole emission microscopy (BHEM), respectively. Measurements using both forward and reverse ballistic electron emission microscopy (BEEM) and (BHEM) injection conditions were performed. The Schottky barrier heights were found by fitting to a linearization of the power law form of the Bell-Kaiser BEEM model. The sum of the n-type and p-type barrier heights are in good agreement with the band gap of silicon and independent of the metal utilized. The Schottky barrier heights are found to bemore » below the region of best fit for the power law form of the BK model, demonstrating its region of validity.« less

Surface modifications on InAs decrease indium and arsenic leaching under physiological conditions

NASA Astrophysics Data System (ADS)

Jewett, Scott A.; Yoder, Jeffrey A.; Ivanisevic, Albena

2012-11-01

Devices containing III-V semiconductors such as InAs are increasingly being used in the electronic industry for a variety of optoelectronic applications. Furthermore, the attractive chemical, material, electronic properties make such materials appealing for use in devices designed for biological applications, such as biosensors. However, in biological applications the leaching of toxic materials from these devices could cause harm to cells or tissue. Additionally, after disposal, toxic inorganic materials can leach from devices and buildup in the environment, causing long-term ecological harm. Therefore, the toxicity of these materials along with their stability in physiological conditions are important factors to consider. Surface modifications are one common method of stabilizing semiconductor materials in order to chemically and electronically passivate them. Such surface modifications could also prevent the leaching of toxic materials by preventing the regrowth of the unstable surface oxide layer and by creating an effective barrier between the semiconductor surface and the surrounding environment. In this study, various surface modifications on InAs are developed with the goal of decreasing the leaching of indium and arsenic. The leaching of indium and arsenic from modified substrates was assessed in physiological conditions using inductively coupled plasma mass spectrometry (ICP-MS). Substrates modified with 11-mercapto-1-undecanol (MU) and graft polymerized with poly(ethylene) glycol (PEG) were most effective at preventing indium and arsenic leaching. These surfaces were characterized using contact angle analysis, ellipsometry, atomic force microscopy (AFM), and X-ray photoelectron spectroscopy (XPS). Substrates modified with collagen and synthetic polyelectrolytes were least effective, due to the destructive nature of acidic environments on InAs. The toxicity of modified and unmodified InAs, along with raw indium, arsenic, and PEG components was assessed using zebrafish embryos.

Dielectric barrier discharge and jet type plasma surface modifications of hybrid polymeric poly (ε-caprolactone)/chitosan scaffolds.

PubMed

Ozkan, Ozan; Turkoglu Sasmazel, Hilal

2018-04-01

In this study, dry air plasma jet and dielectric barrier discharge Ar + O 2 or Ar + N 2 plasma modifications and their effects on wettability, topography, functionality and biological efficiency of the hybrid polymeric poly (ε-caprolactone)/chitosan scaffolds were reported. The samples treated with Ar + O 2 dielectric barrier discharge plasma (80 sccm O 2 flow rate, 3-min treatment) or with dry air plasma jet (15-cm nozzle-sample distance, 13-min treatment) had the closest wettability (49.11 ± 1.83 and 53.60 ± 0.95, respectively) to the commercial tissue culture polystyrene used for cell cultivation. Scanning electron microscopy images and X-ray photoelectron spectrometry analysis showed increase in topographical roughness and OH/NH 2 functionality, respectively. Increased fluid uptake capacity for the scaffolds treated with Ar + O 2 dielectric barrier discharge plasma (73.60% ± 1.78) and dry air plasma jet (72.48% ± 0.75) were also noted. Finally, initial cell attachment as well as seven-day cell viability, growth and proliferation performances were found to be significantly better for both plasma treated scaffolds than for untreated scaffolds.

Copper diffusion in Ti Si N layers formed by inductively coupled plasma implantation

NASA Astrophysics Data System (ADS)

Ee, Y. C.; Chen, Z.; Law, S. B.; Xu, S.; Yakovlev, N. L.; Lai, M. Y.

2006-11-01

Ternary Ti-Si-N refractory barrier films of 15 nm thick was prepared by low frequency, high density, inductively coupled plasma implantation of N into TixSiy substrate. This leads to the formation of Ti-N and Si-N compounds in the ternary film. Diffusion of copper in the barrier layer after annealing treatment at various temperatures was investigated using time-of-flight secondary ion mass spectrometer (ToF-SIMS) depth profiling, X-ray diffractometer (XRD), field emission scanning electron microscopy (FESEM), energy dispersive X-ray (EDX) and sheet resistance measurement. The current study found that barrier failure did not occur until 650 °C annealing for 30 min. The failure occurs by the diffusion of copper into the Ti-Si-N film to form Cu-Ti and Cu-N compounds. FESEM surface morphology and EDX show that copper compounds were formed on the ridge areas of the Ti-Si-N film. The sheet resistance verifies the diffusion of Cu into the Ti-Si-N film; there is a sudden drop in the resistance with Cu compound formation. This finding provides a simple and effective method of monitoring Cu diffusion in TiN-based diffusion barriers.

Nucleophilic substitution at silicon (SN2@Si) via a central reaction barrier.

PubMed

Bento, A Patrícia; Bickelhaupt, F Matthias

2007-03-16

It is textbook knowledge that nucleophilic substitution at carbon (SN2@C) proceeds via a central reaction barrier which disappears in the corresponding nucleophilic substitution reaction at silicon (SN2@Si). Here, we address the question why the central barrier disappears from SN2@C to SN2@Si despite the fact that these processes are isostructural and isoelectronic. To this end, we have explored and analyzed the potential energy surfaces (PES) of various Cl-+CR3Cl (R=H, CH3) and Cl-+SiR3Cl model reactions (R=H, CH3, C2H5, and OCH3). Our results show that the nature of the SN2 reaction barrier is in essence steric, but that it can be modulated by electronic factors. Thus, simply by increasing the steric demand of the substituents R around the silicon atom, the SN2@Si mechanism changes from its regular single-well PES (with a stable intermediate transition complex, TC), via a triple-well PES (with a pre- and a post-TS before and after the central TC), to a double-well PES (with a TS; R=OCH3), which is normally encountered for SN2@C reactions.

Electron-phonon interaction in three-barrier nanosystems as active elements of quantum cascade detectors

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

Tkach, N. V., E-mail: ktf@chnu.edu.ua; Seti, Ju. A.; Grynyshyn, Yu. B.

2015-04-15

The theory of electron tunneling through an open nanostructure as an active element of a quantum cascade detector is developed, which takes into account the interaction of electrons with confined and interface phonons. Using the method of finite-temperature Green’s functions and the electron-phonon Hamiltonian in the representation of second quantization over all system variables, the temperature shifts and electron-level widths are calculated and the contributions of different electron-phonon-interaction mechanisms to renormalization of the spectral parameters are analyzed depending on the geometrical configuration of the nanosystem. Due to weak electron-phonon coupling in a GaAs/Al{sub 0.34}Ga{sub 0.66}As-based resonant tunneling nanostructure, the temperaturemore » shift and rf field absorption peak width are not very sensitive to the electron-phonon interaction and result from a decrease in potential barrier heights caused by a difference in the temperature dependences of the well and barrier band gaps.« less

Method and device for detecting impact events on a security barrier which includes a hollow rebar allowing insertion and removal of an optical fiber

DOEpatents

Pies, Ross E.

2016-03-29

A method and device for the detection of impact events on a security barrier. A hollow rebar is farmed within a security barrier, whereby the hollow rebar is completely surrounded by the security barrier. An optical fiber passes through the interior of the hollow rebar. An optical transmitter and an optical receiver are both optically connected to the optical fiber and connected to optical electronics. The optical electronics are configured to provide notification upon the detection of an impact event at the security barrier based on the detection of disturbances within the optical fiber.

Generation and characterization of field-emitting surface dielectric barrier discharges in liquids

NASA Astrophysics Data System (ADS)

Kawamura, Tomohisa; Kanno, Moriyuki; Stauss, Sven; Kuribara, Koichi; Pai, David Z.; Ito, Tsuyohito; Terashima, Kazuo

2018-01-01

Field-emitting surface dielectric barrier discharges (FESDBDs), previously generated in CO2 from high pressures up to supercritical conditions using 10 kHz ac excitation, were investigated in non-aqueous liquid CO2 and liquid silicone oil. In both liquids, the maximum amount of negative charge Q-deposited as a function of the applied voltage amplitude was consistent with the Fowler-Nordheim equation, which demonstrated the presence of field emission. Furthermore, purely continuum optical emission spectra attributable to electron-neutral bremsstrahlung were confirmed. The fact that these characteristics were identical to those in high-pressure CO2 reported from previous research shows that FESDBDs can be generated independently of the medium type and that they are low-power (on the order of 10 mW) discharges. To investigate the charging function of FESDBDs, the motion of fine particles suspended above the FESDBDs was studied by high-speed imaging. It revealed that the speed of fine particles affected by the FESDBDs depends on the particle size, the FESDBDs' function being to charge fine particles.

Study on hexagonal super-lattice pattern with surface discharges in dielectric barrier discharge

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

Liu, Ying; Dong, Lifang, E-mail: donglfhbu@163.com; Niu, Xuejiao

2015-10-15

The hexagonal super-lattice pattern with surface discharges (SDs) in dielectric barrier discharge is investigated by intensified charge-coupled device. The pattern is composed of the bright spot and the dim spot which is located at the centroid of surrounding other three bright spots. The phase diagram of the pattern as a function of the gas pressure and the argon concentration is given. The instantaneous images indicate that the bright spot emerging at the front of the current pulse is formed by the volume discharge (VD), and dim spot occurring at the tail of the current pulse is formed by the SD.more » The above result shows that the SD is induced by the VD. The simulation of the electric fields of wall charges accumulated by VDs confirms that the dim spot is formed by the confluences of the SDs of surrounding other three bright spots. By using optical emission spectrum method, both the molecule vibration temperature and electron density of the SD are larger than that of the VD.« less

Effect of acidic aqueous solution on chemical and physical properties of polyamide NF membranes

NASA Astrophysics Data System (ADS)

Jun, Byung-Moon; Kim, Su Hwan; Kwak, Sang Kyu; Kwon, Young-Nam

2018-06-01

This work was systematically investigated the effects of acidic aqueous solution (15 wt% sulfuric acid as model wastewater from smelting process) on the physical and chemical properties of commercially available nanofiltration (NF) polyamide membranes, using piperazine (PIP)-based NE40/70 membranes and m-phenylene diamine (MPD)-based NE90 membrane. Surface properties of the membranes were studied before and after exposure to strong acid using various analytical tools: Scanning Electron Microscopy (SEM), Attenuated Total Reflectance-Fourier Transform Infrared spectroscopy (ATR-FTIR), X-ray photoelectron spectroscopy (XPS), Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS), contact angle analyzer, and electrophoretic light scattering spectrophotometer. The characterization and permeation results showed piperazine-based NE40/70 membranes have relatively lower acid-resistance than MPD-based NE90 membrane. Furthermore, density functional theory (DFT) calculation was also conducted to reveal the different acid-tolerances between the piperazine-based and MPD-based polyamide membranes. The easiest protonation was found to be the protonation of oxygen in piperazine-based monomer, and the N-protonation of the monomer had the lowest energy barrier in the rate determining step (RDS). The calculations were well compatible with the surface characterization results. In addition, the energy barrier in RDS is highly correlated with the twist angle (τD), which determines the delocalization of electrons between the carbonyl πCO bond and nitrogen lone pair, and the tendency of the twist angle was also maintained in longer molecules (dimer and trimer). This study clearly explained why the semi-aromatic membrane (NE40/70) is chemically less stable than the aromatic membrane (NE90) given the surface characterizations and DFT calculation results.

Flexible barrier film, method of forming same, and organic electronic device including same

DOEpatents

Blizzard, John; Tonge, James Steven; Weidner, William Kenneth

2013-03-26

A flexible barrier film has a thickness of from greater than zero to less than 5,000 nanometers and a water vapor transmission rate of no more than 1.times.10.sup.-2 g/m.sup.2/day at 22.degree. C. and 47% relative humidity. The flexible barrier film is formed from a composition, which comprises a multi-functional acrylate. The composition further comprises the reaction product of an alkoxy-functional organometallic compound and an alkoxy-functional organosilicon compound. A method of forming the flexible barrier film includes the steps of disposing the composition on a substrate and curing the composition to form the flexible barrier film. The flexible barrier film may be utilized in organic electronic devices.

Reactive barrier system for nitrate removal from mine effluents in northern Sweden: Laboratory experiments

NASA Astrophysics Data System (ADS)

Herbert, Roger

2010-05-01

Laboratory column experiments have been conducted to determine nitrate removal rates from mine effluents by denitrification, with the purpose of providing initial data for the construction of a pilot scale reactive barrier system at the Malmberget iron mine, Sweden. Experiments were conducted at several different flow rates at 5C, 10C and room temperature; annual mean temperatures at the Malmberget site lie close to 0C. Columns were filled with an organic substrate consisting of sawdust mixed with sewage sludge, the source of denitrifying bacteria, supported by oven-dried clay pellets. Apparent denitrification rates, calculated from inflow and outflow nitrate concentrations and column hydraulic residence time, ranged from 5 to 13 mg N/L/d, with the lowest rates corresponding to the 5C experiments. These rates are, however, limited to a certain degree by the low flow rate and the supply of electrons acceptors (i.e. nitrate) to denitrifying bacteria. Results from the column experiment have been used to construct a barrier system in Malmberget, Sweden. Trial runs with the pilot-scale barrier will be conducted during 2010, with the purpose of determining the performance of the barrier as mean air temperatures increase from below to above 0C and saturated flow commences in the barrier. The barrier system is constructed as a rectangular container with steel sheet walls (9m length in flow direction, 1.5m deep), and the flow rate will be adjusted to a hydraulic residence time of 1 day. The pilot-scale barrier system currently lies above ground, but a permanent barrier system would be installed below the ground surface so that the system can be maintained at positive temperatures throughout the year.

A photoemission moments model using density functional and transfer matrix methods applied to coating layers on surfaces: Theory

NASA Astrophysics Data System (ADS)

Jensen, Kevin L.; Finkenstadt, Daniel; Shabaev, Andrew; Lambrakos, Samuel G.; Moody, Nathan A.; Petillo, John J.; Yamaguchi, Hisato; Liu, Fangze

2018-01-01

Recent experimental measurements of a bulk material covered with a small number of graphene layers reported by Yamaguchi et al. [NPJ 2D Mater. Appl. 1, 12 (2017)] (on bialkali) and Liu et al. [Appl. Phys. Lett. 110, 041607 (2017)] (on copper) and the needs of emission models in beam optics codes have lead to substantial changes in a Moments model of photoemission. The changes account for (i) a barrier profile and density of states factor based on density functional theory (DFT) evaluations, (ii) a Drude-Lorentz model of the optical constants and laser penetration depth, and (iii) a transmission probability evaluated by an Airy Transfer Matrix Approach. Importantly, the DFT results lead to a surface barrier profile of a shape similar to both resonant barriers and reflectionless wells: the associated quantum mechanical transmission probabilities are shown to be comparable to those recently required to enable the Moments (and Three Step) model to match experimental data but for reasons very different than the assumption by conventional wisdom that a barrier is responsible. The substantial modifications of the Moments model components, motivated by computational materials methods, are developed. The results prepare the Moments model for use in treating heterostructures and discrete energy level systems (e.g., quantum dots) proposed for decoupling the opposing metrics of performance that undermine the performance of advanced light sources like the x-ray Free Electron Laser. The consequences of the modified components on quantum yield, emittance, and emission models needed by beam optics codes are discussed.

Nucleation and growth of Ag on Sb-terminated Ge( 1 0 0 )

NASA Astrophysics Data System (ADS)

Chan, L. H.; Altman, E. I.

2002-06-01

The effect of Sb on Ag growth on Ge(1 0 0) was characterized using scanning tunneling microscopy, low energy electron diffraction, and Auger electron spectroscopy. Silver was found to immediately form three-dimensional clusters on the Sb-covered surface over the entire temperature range studied (320-570 K), thus the growth was Volmer-Weber. Regardless of the deposition conditions, there was no evidence that Sb segregated to the Ag surface, despite Sb having a lower surface tension than either Ag or Ge. The failure of Sb to segregate to the surface could be understood in terms of the much stronger interaction between Sb and Ge versus Ag and Ge creating a driving force to maintain an Sb-Ge interface. Silver nucleation on Sb/Ge(1 0 0) was characterized by measuring the Ag cluster density as a function of deposition rate. The results revealed that the cluster density was nearly independent of the deposition rate below 420 K, indicating that heterogeneous nucleation at defects in the Sb-terminated surface competed with homogeneous nucleation. At higher temperatures, the defects were less effective in trapping diffusing Ag atoms and the dependence of the cluster density on deposition rate suggested a critical size of at least two. For temperatures above 420 K, the Ag diffusion barrier plus the dissociation energy of the critical cluster was estimated by measuring the cluster density as a function of temperature; the results suggested a value of 0.84±0.1 eV which is significantly higher than values reported for Ag nucleation on Sb-free surfaces. In comparison to the bare Ge surface, Ag formed a higher density of smaller, lower clusters when Sb was present. Below 420 K the higher cluster density could be attributed to nucleation at defects in the Sb layer while at higher temperatures the high diffusion barrier restricted the cluster size and density. Although Sb does not act as a surfactant in this system since it does not continuously float to the surface and the growth is not layer-by-layer, adding Sb was found to be useful in limiting the Ag cluster size and height which led to smoother, more continuous Ag films and in preventing the formation of metastable Ag-Ge surface alloys.

Numerical investigation of the spatiotemporal distribution of chemical species in an atmospheric surface barrier-discharge

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

Hasan, M. I.; Walsh, J. L., E-mail: jlwalsh@liverpool.ac.uk

Using a one dimensional time dependent convection-reaction-diffusion model, the temporal and spatial distributions of species propagating downstream of an atmospheric pressure air surface barrier discharge was studied. It was found that the distribution of negatively charged species is more spatially spread compared to positive ions species, which is attributed to the diffusion of electrons that cool down and attach to background gas molecules, creating different negative ions downstream of the discharge region. Given the widespread use of such discharges in applications involving the remote microbial decontamination of surfaces and liquids, the transport of plasma generated reactive species away from themore » discharge region was studied by implementing mechanical convection through the discharge region. It was shown that increased convection causes the spatial distribution of species density to become uniform. It was also found that many species have a lower density close to the surface of the discharge as convection prevents their accumulation. While for some species, such as NO{sub 2}, convection causes a general increase in the density due to a reduced residence time close to the discharge region, where it is rapidly lost through reactions with OH. The impact of the applied power was also investigated, and it was found that the densities of most species, whether charged or neutral, are directly proportional to the applied power.« less

Effect of perfluorodecyltrichlorosilane on the surface properties and anti-corrosion behavior of poly(dimethylsiloxane)-ZnO coatings

NASA Astrophysics Data System (ADS)

Arukalam, Innocent O.; Meng, Meijiang; Xiao, Haigang; Ma, Yuantai; Oguzie, Emeka E.; Li, Ying

2018-03-01

Poly(dimethylsiloxane)-ZnO coatings modified with different amounts of perfluorodecyltrichlorosilane (FDTS) were prepared using sol-gel technique. The results of field emission scanning electron microscopy (FESEM) and atomic force microscopy (AFM) examinations showed that the surface structures and roughness of the coatings were respectively influenced by the increasing addition of FDTS. The water contact angle measurements showed maximum value of 130.52° with the 0.10 g FDTS-modified coating sample. The X-ray photoelectron spectroscopy (XPS) results indicated the coatings' hydrophobicity was also influenced by surface chemistry. The FTIR-ATR characterization results showed there was remarkable increase in the crystallinity of 0.10 g FDTS-modified coating after modification, and was confirmed by differential scanning calorimetry (DSC) analysis of crystallization temperature and the X-ray diffraction (XRD) results with an estimation of 71.29% percent crystallinity. The mechanical properties of the coatings were also conducted. The EIS measurements for anti-corrosion behavior showed that 0.10 g FDTS-modified coating had the highest barrier performance and lowest rate of degradation. Indeed, the obtained data have demonstrated that 0.10 g (≈ 0.18%) FDTS produced the most significantly effect on the surface and barrier properties of the coatings and thus, can effectively be used for anti-corrosion application in the marine environments.

Future Optical Communications Systems

DTIC Science & Technology

2008-06-01

rich handsets are driving growth in the wireless backhaul market. Both the iPhone and Blackberry are growing in popularity. Figure 49 forecasts the...electronic emission and tunneling , and hetero-barrier leakage. In barrier thermo-electronic emission, the conduction band of the quantum well laser is...barrier can reduce the mod- ulation bandwidth of the laser and reduce high-temperature performance due to tunneling out of the p-n junction or due

Characterization and Reliability of Vertical N-Type Gallium Nitride Schottky Contacts

DTIC Science & Technology

2016-09-01

barrier diode SEM scanning electron microscopy SiC silicon carbide SMU source measure unit xvi THIS PAGE INTENTIONALLY LEFT BLANK xvii...arguably the Schottky barrier diode (SBD). The SBD is a fundamental component in the majority of power electronic devices; specifically, those used in...Ishizuka, and Ueno demonstrated the long-term reliability of vertical metal-GaN Schottky barrier diodes through their analysis of the degradation

Electron Raman scattering in a strained ZnO/MgZnO double quantum well

NASA Astrophysics Data System (ADS)

Mojab-abpardeh, M.; Karimi, M. J.

2018-02-01

In this work, the electron Raman scattering in a strained ZnO / MgZnO double quantum wells is studied. The energy eigenvalues and the wave functions are obtained using the transfer matrix method. The effects of Mg composition, well width and barrier width on the internal electric field in well and barrier layers are investigated. Then, the influences of these parameters on the differential cross-section of electron Raman scattering are studied. Results indicate that the position, magnitude and the number of the peaks depend on the Mg composition, well width and barrier width.

Tunneling effect on double potential barriers GaAs and PbS

NASA Astrophysics Data System (ADS)

Prastowo, S. H. B.; Supriadi, B.; Ridlo, Z. R.; Prihandono, T.

2018-04-01

A simple model of transport phenomenon tunnelling effect through double barrier structure was developed. In this research we concentrate on the variation of electron energy which entering double potential barriers to transmission coefficient. The barriers using semiconductor materials GaAs (Galium Arsenide) with band-gap energy 1.424 eV, distance of lattice 0.565 nm, and PbS (Lead Sulphide) with band gap energy 0.41 eV distance of lattice is 18 nm. The Analysisof tunnelling effect on double potentials GaAs and PbS using Schrodinger’s equation, continuity, and matrix propagation to get transmission coefficient. The maximum energy of electron that we use is 1.0 eV, and observable from 0.0025 eV- 1.0 eV. The shows the highest transmission coefficient is0.9982 from electron energy 0.5123eV means electron can pass the barriers with probability 99.82%. Semiconductor from materials GaAs and PbS is one of selected material to design semiconductor device because of transmission coefficient directly proportional to bias the voltage of semiconductor device. Application of the theoretical analysis of resonant tunnelling effect on double barriers was used to design and develop new structure and combination of materials for semiconductor device (diode, transistor, and integrated circuit).

The long-term effects of the micrometeoroid and orbital debris environments on materials used in space

NASA Technical Reports Server (NTRS)

Cour-Palais, Burton G.

1989-01-01

The long-term effects of the orbital debris and micrometeoroid environments on materials that are current candidates for use on space vehicles are discussed. In addition, the limits of laboratory testing to determine these effects are defined and the need for space-based data is delineated. The impact effects discussed are divided into primary and secondary surfaces. Primary surfaces are those that are subject to erosion, pitting, the degradation and delamination of optical coatings, perforation of atomic oxygen erosion barriers, vapor coating of optics and the production of secondary ejecta particles. Secondary surfaces are those that are affected by the result of the perforation of primary surfaces, for example, vapor deposition on electronic components and other sensitive equipment, and the production of fragments with damage potential to internal pressurized elements. The material properties and applications that are required to prevent or lessen the effects described, are defined.

Photo-induced persistent inversion of germanium in a 200-nm-deep surface region.

PubMed

Prokscha, T; Chow, K H; Stilp, E; Suter, A; Luetkens, H; Morenzoni, E; Nieuwenhuys, G J; Salman, Z; Scheuermann, R

2013-01-01

The controlled manipulation of the charge carrier concentration in nanometer thin layers is the basis of current semiconductor technology and of fundamental importance for device applications. Here we show that it is possible to induce a persistent inversion from n- to p-type in a 200-nm-thick surface layer of a germanium wafer by illumination with white and blue light. We induce the inversion with a half-life of ~12 hours at a temperature of 220 K which disappears above 280 K. The photo-induced inversion is absent for a sample with a 20-nm-thick gold capping layer providing a Schottky barrier at the interface. This indicates that charge accumulation at the surface is essential to explain the observed inversion. The contactless change of carrier concentration is potentially interesting for device applications in opto-electronics where the gate electrode and gate oxide could be replaced by the semiconductor surface.

Effect of dissolved hydrogen on Schottky barrier height of Fe-Cr alloy heterojunction

NASA Astrophysics Data System (ADS)

Berahim, A. N.; Zaharudin, M. Z.; Ani, M. H.; Arifin, S. K.

2018-01-01

The presence of water vapour at high temperature oxidation has certain effects on ferritic alloy in comparison to dry environment. It is hypothesized that at high temperature; water vapour provides hydrogen, which will dissolve into ferritic alloy substrate and altering their electronic state at the metal-oxide interface. This work aimed to clarify the change in electronic state of metal-oxide heterojunction with the presence of hydrogen/water vapour. In this study, the Schottky Barrier (SB) was created by sputtering Cr2O3 onto prepared samples by using RF Magnetron sputtering machine. The existence of Fe/Cr2O3 junction was characterized by using XRD. The surfaces were observed by using Optical Microscope (OM) and Scanning Electron Microscope (SEM). The samples were then exposed in dry and humid condition at temperature of 473 K and 1073 K. In dry condition, 100% Ar is flown inside the furnace, while in wet condition mixture of 95% Ar and 5% H was used. I-V measurement of the junction was done to determine the Schottky Barrier Height(SBH) of the samples in the corresponding ambient. The results show that in Fe/Cr2O3 junction, with presence of hydrogen at temperature 473 K; the SBH was reduced by the scale factor of 1.054 and at 1073 K in wet ambient by factor of 1.068. Meanwhile, in Fe-Cr/Cr2O3 junction with presence of hydrogen, the value of SBH was increased by scale factor of 1.068 at temperature 473 K while at 1073 K, the SBH also increased by factor of 1.009.

Diffusive and inelastic scattering in ballistic-electron-emission spectroscopy and ballistic-electron-emission microscopy

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

Lee, E.Y.; Turner, B.R.; Schowalter, L.J.

1993-07-01

Ballistic-electron-emission microscopy (BEEM) of Au/Si(001) n type was done to study whether elastic scattering in the Au overlayer is dominant. It was found that there is no dependence of the BEEM current on the relative gradient of the Au surface with respect to the Si interface, and this demonstrates that significant elastic scattering must occur in the Au overlayer. Ballistic-electron-emission spectroscopy (BEES) was also done, and, rather than using the conventional direct-current BEES, alternating-current (ac) BEES was done on Au/Si and also on Au/PtSi/Si(001) n type. The technique of ac BEES was found to give linear threshold for the Schottkymore » barrier, and it also clearly showed the onset of electron-hole pair creation and other inelastic scattering events. The study of device quality PtSi in Au/PtSi/Si(001) yielded an attenuation length of 4 nm for electrons of energy 1 eV above the PtSi Fermi energy. 20 refs., 5 figs.« less

Effect of gold subsurface layer on the surface activity and segregation in Pt/Au/Pt3M (where M = 3d transition metals) alloy catalyst from first-principles.

PubMed

Kim, Chang-Eun; Lim, Dong-Hee; Jang, Jong Hyun; Kim, Hyoung Juhn; Yoon, Sung Pil; Han, Jonghee; Nam, Suk Woo; Hong, Seong-Ahn; Soon, Aloysius; Ham, Hyung Chul

2015-01-21

The effect of a subsurface hetero layer (thin gold) on the activity and stability of Pt skin surface in Pt3M system (M = 3d transition metals) is investigated using the spin-polarized density functional theory calculation. First, we find that the heterometallic interaction between the Pt skin surface and the gold subsurface in Pt/Au/Pt3M system can significantly modify the electronic structure of the Pt skin surface. In particular, the local density of states projected onto the d states of Pt skin surface near the Fermi level is drastically decreased compared to the Pt/Pt/Pt3M case, leading to the reduction of the oxygen binding strength of the Pt skin surface. This modification is related to the increase of surface charge polarization of outmost Pt skin atoms by the electron transfer from the gold subsurface atoms. Furthermore, a subsurface gold layer is found to cast the energetic barrier to the segregation loss of metal atoms from the bulk (inside) region, which can enhance the durability of Pt3M based catalytic system in oxygen reduction condition at fuel cell devices. This study highlights that a gold subsurface hetero layer can provide an additional mean to tune the surface activity toward oxygen species and in turn the oxygen reduction reaction, where the utilization of geometric strain already reaches its practical limit.

Exploration to generate atmospheric pressure glow discharge plasma in air

NASA Astrophysics Data System (ADS)

Wenzheng, LIU; Chuanlong, MA; Shuai, ZHAO; Xiaozhong, CHEN; Tahan, WANG; Luxiang, ZHAO; Zhiyi, LI; Jiangqi, NIU; Liying, ZHU; Maolin, CHAI

2018-03-01

Atmospheric pressure glow discharge (APGD) plasma in air has high application value. In this paper, the methods of generating APGD plasma in air are discussed, and the characteristics of dielectric barrier discharge (DBD) in non-uniform electric field are studied. It makes sure that APGD in air is formed by DBD in alternating current electric field with using the absorbing electron capacity of electret materials to provide initial electrons and to end the discharge progress. Through designing electric field to form two-dimensional space varying electric field and three-dimensional space varying electric field, the development of electron avalanches in air-gap is suppressed effectively and a large space of APGD plasma in air is generated. Further, through combining electrode structures, a large area of APGD plasma in air is generated. On the other hand, by using the method of increasing the density of initial electrons, millimeter-gap glow discharge in atmospheric pressure air is formed, and a maximum gap distance between electrodes is 8 mm. By using the APGD plasma surface treatment device composed of contact electrodes, the surface modification of high polymer materials such as aramid fiber and polyester are studied and good effect of modifications is obtained. The present paper provides references for the researchers of industrial applications of plasma.

Spin-resolved conductance of Dirac electrons through multibarrier arrays

NASA Astrophysics Data System (ADS)

Dahal, Dipendra; Gumbs, Godfrey; Iurov, Andrii

We use a transfer matrix method to calculate the transmission coefficient of Dirac electrons through an arbitrary number of square potential barrier in gapped monolayer graphene(MLG) and bilayer graphene (BLG). The widths of barriers may not be chosen equal. The shift in the angle of incidence and the width of the barrier required for resonance are investigated numerically for both MLG and BLG. We compare the effects due to energy gap on these two transmission coefficient for each of these two structures (MLG and BLG). We present our results as functions of barrier width, height as well as incoming electron energy as well as band gap and examine the conditions for which perfect reflection or transmission occurs. Our transmission data are further used to calculate conductivity.

a Study of the Tungsten (001) Surface Using Low Energy Electron Diffraction and Other Electron Spectroscopies.

NASA Astrophysics Data System (ADS)

Kalceff, Marion Anne Stevens

The properties of the clean Tungsten (001) surfaces (both (1 x 1) and reconstructed (SQRT.(2 x SQRT.(2)R45(DEGREES) phases) and the effects of the common absorbates Hydrogen and Oxygen have been investigated using the techniques of Low Energy Electron Diffraction, Auger Electron Spectroscopy and Characteristic Electron Energy Loss Spectroscopy. The origins of features observed in Characteristic Energy Loss Spectra, very low energy (<10 eV) Secondary Electron Emission spectra and low energy (<40 eV) Auger spectra, are deduced and compared with recent relevant independently obtained theoretical data and with other, sometimes conflicting, analyses. The use of these spectroscopies as monitors of surface cleanliness is evaluated. In particular a previously unreported emission, observed during Oxygen adsorption, is attributed to an Auger transition involving the Oxygen 2s and 2p adsorbate levels. Experimental conventional LEED and improved resolution very low energy intensity versus energy spectra are compared with Dynamical spectra, calculated using the program package of M. A. Van Hove and S. Y. Tong or calculated by R. O. Jones using a previously determined saturated image barrier, within a spin dependent scattering model, respectively. Structural information about the clean (1 x 1), clean reconstructed (SQRT.(2 x SQRT.(2)R45(DEGREES) and Hydrogen saturated (1 x 1)-H surfaces have been obtained via visual comparison or R factor (E. Zanazzi and F. Jona) analysis of the conventional data. The conventional methods of LEED Intensity data collection are assessed and procedures to improve experimental reproducibility are proposed. From the analysis of the improved resolution data, and with reference to the corresponding set of very low energy electron reflection data also obtained for comparison, conclusions are made about the origins of fine structure observed in the experimental profiles and about the W(001) surface order before and after the temperature dependent reconstruction and during Hydrogen adsorption. Further information about the clean W(001)-(SQRT.(2 x SQRT.(2)R45(DEGREES) surface, including the clean surface transition temperature, the mode of reconstruction, and structural information is determined from the analyses of the LEED intensity pattern and temperature dependence. In particular it is found that the reconstruction involves both vertical and horizontal components of atomic displacement and is dependent upon the surface topography and defect structure. All results are evaluated in comparison with other relevant independent experimental or theoretical analyses, where possible.

FAST TRACK COMMUNICATION: Graphene based quantum dots

NASA Astrophysics Data System (ADS)

Zhang, H. G.; Hu, H.; Pan, Y.; Mao, J. H.; Gao, M.; Guo, H. M.; Du, S. X.; Greber, T.; Gao, H.-J.

2010-08-01

Laterally localized electronic states are identified on a single layer of graphene on ruthenium by low temperature scanning tunneling spectroscopy (STS). The individual states are separated by 3 nm and comprise regions of about 90 carbon atoms. This constitutes a highly regular quantum dot-array with molecular precision. It is evidenced by quantum well resonances (QWRs) with energies that relate to the corrugation of the graphene layer. The dI/dV conductance spectra are modeled by a layer height dependent potential-well with a delta-function potential that describes the barrier for electron penetration into graphene. The resulting QWRs are strongest and lowest in energy on the isolated 'hill' regions with a diameter of 2 nm, where the graphene is decoupled from the surface.

Detector Development for the abBA Experiment.

PubMed

Seo, P-N; Bowman, J D; Mitchell, G S; Penttila, S I; Wilburn, W S

2005-01-01

We have developed a new type of field-expansion spectrometer to measure the neutron beta decay correlations (a, b, B, and A). A precision measurement of these correlations places stringent requirements on charged particle detectors. The design employs large area segmented silicon detectors to detect both protons and electrons in coincidence. Other requirements include good energy resolution (< 5 keV), a thin dead layer to allow observation of 30-keV protons, fast timing resolution (~1 ns) to reconstruct electron-backscattering events, and nearly unity efficiency. We report results of testing commercially available surface-barrier silicon detectors for energy resolution and timing performance, and measurement of the dead-layer thickness of ion-implanted silicon detectors with a 3.2 MeV alpha source.

Graphene based quantum dots.

PubMed

Zhang, H G; Hu, H; Pan, Y; Mao, J H; Gao, M; Guo, H M; Du, S X; Greber, T; Gao, H-J

2010-08-04

Laterally localized electronic states are identified on a single layer of graphene on ruthenium by low temperature scanning tunneling spectroscopy (STS). The individual states are separated by 3 nm and comprise regions of about 90 carbon atoms. This constitutes a highly regular quantum dot-array with molecular precision. It is evidenced by quantum well resonances (QWRs) with energies that relate to the corrugation of the graphene layer. The dI/dV conductance spectra are modeled by a layer height dependent potential-well with a delta-function potential that describes the barrier for electron penetration into graphene. The resulting QWRs are strongest and lowest in energy on the isolated 'hill' regions with a diameter of 2 nm, where the graphene is decoupled from the surface.

Pyrrole as a promising electrolyte additive to trap polysulfides for lithium-sulfur batteries

NASA Astrophysics Data System (ADS)

Yang, Wu; Yang, Wang; Song, Ailing; Gao, Lijun; Sun, Gang; Shao, Guangjie

2017-04-01

Lithium-sulfur batteries are a promising energy storage devices beyond conventional lithium ion batteries. However, the "shuttle effect" of soluble polysulfides is a major barrier between electrodes, resulting in rapid capacity fading. To address above issue, pyrrole has been investigated as an electrolyte additive to trap polysulfides. When pyrrole is added into electrolyte, a surface protective layer of polypyrrole can be formed on the sulfur cathode, which not only acts as a conductive agent to provide an effective electron conduction path but also acts as an absorbing agent and barrier layer suppressing the diffusion of polysulfide intermediates. The results demonstrate that an appropriate amount of pyrrole added into the electrolyte leads to excellent cycling stability and rate capability. Apparently, pyrrole is an effective additive for the entrapment of polysulfides of lithium-sulfur batteries.

Simulation of stationary glow patterns in dielectric barrier discharges at atmospheric pressure

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

Liu, Fucheng, E-mail: hdlfc@hbu.cn; He, Yafeng; Dong, Lifang

2014-12-15

Self-organized stationary patterns in dielectric barrier discharges operating in glow regime at atmospheric pressure are investigated by a self-consistent two-dimensional fluid model. The simulation results show that two different modes, namely, the diffuse mode and the static patterned mode, can be formed in different ranges of the driving frequency. The discharge operates in Townsend regime in the diffuse mode, while it operates in a glow regime inside the filaments and in a Townsend regime outside the filaments in the stable pattered mode. The forming process of the stationary filaments can be divided into three stages, namely, destabilizing stage, self-assembling stage,more » and stable stage. The space charge associated with residual electron density and surface charge is responsible for the formation of these stationary glow patterns.« less

Calcium-magnesium Aluminosilicate (CMAS) Interactions with Advanced Environmental Barrier Coating Material

NASA Technical Reports Server (NTRS)

Wiesner, Valerie L.; Bansal, Narottam P.

2015-01-01

Particulates, like sand and volcanic ash, threaten the development of robust environmental barrier coatings (EBCs) that protect next-generation silicon-based ceramic matrix composite (CMC) turbine engine components from harsh combustion environments during service. The siliceous particulates transform into molten glassy deposits of calcium-magnesium aluminosilicate (CMAS) when ingested by an aircraft engine operating at temperatures above 1200C. In this study, a sample of desert sand was melted into CMAS glass to evaluate high-temperature interactions between the sand glass and an advanced EBC material. Desert sand glass was added to the surface of hot-pressed EBC substrates, which were then heated in air at temperatures ranging from 1200C to 1500C. Scanning electron microscopy and X-ray energy-dispersive spectroscopy were used to evaluate microstructure and phase compositions of specimens and the CMASEBC interface after heat treatments.

Theoretical analysis of field emission from a metal diamond cold cathode emitter

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

Lerner, P.; Cutler, P.H.; Miskovsky, N.M.

Recently, Geis {ital et al.} [J. Vac. Sci. Technol. B {bold 14}, 2060 (1996)] proposed a cold cathode emitter based on a Spindt-type design using a diamond film doped by substitutional nitrogen. The device is characterized by high field emission currents at very low power. Two properties, the rough surface of the metallic injector and the negative electron affinity of the (111) surface of the diamond are essential for its operation. We present a first consistent quantitative theory of the operation of a Geis{endash}Spindt diamond field emitter. Its essential features are predicated on nearly {ital zero-field conditions} in the diamondmore » beyond the depletion layer, {ital quasiballistic transport} in the conduction band, and applicability of a modified {ital Fowler{endash}Nordheim equation} to the transmission of electrons through the Schottky barrier at the metal-diamond interface. Calculated results are in good qualitative and quantitative agreement with the experimental results of Geis {ital et al.} {copyright} {ital 1997 American Vacuum Society.}« less

Comparison of ultrastructure, tight junction-related protein expression and barrier function of human corneal epithelial cells cultivated on amniotic membrane with and without air-lifting.

PubMed

Ban, Yuriko; Cooper, Leanne J; Fullwood, Nigel J; Nakamura, Takahiro; Tsuzuki, Masakatsu; Koizumi, Noriko; Dota, Atsuyoshi; Mochida, Chikako; Kinoshita, Shigeru

2003-06-01

To evaluate the usefulness of the air-lifting technique for culturing corneal limbal epithelial cells on amniotic membrane (AM) for use in ocular surface reconstruction. A cultured sheet that has a good barrier function should be better for this purpose. In corneal epithelium, tight junctions (TJ) play a vital role in the barrier function. The TJ complex includes the integral transmembrane proteins occludin and the claudins, and some membrane-associated proteins such as ZO-1. In this paper, we investigated the barrier function and the expression of TJ related proteins. Corneal limbal epithelium obtained from donor corneas and cultivated on acellular AM was divided into two groups. These were the non-air-lifting (Non-AL) group, which was continuously submerged in medium, and the air-lifting (AL) group, which was submerged in medium for 3 weeks, then exposed to air by lowering the medium level. Morphology and the permeability to horseradish peroxidase (HRP) were determined by electron microscopy. Tight junction (TJ)-related protein and mRNA expression changes were assessed by immunoblotting and reverse transcription-polymerase chain reaction. The cultures of both groups formed 4-5-layer-thick, well-stratified epithelium. The AL cultures had tightly packed epithelial cells with all the HRP/diaminobenzidine (DAB) reaction product accumulated on the apical surface of the superficial cells. The Non-AL culture, by contrast, had more loosely packed epithelial cells with larger intercellular spaces. The HRP/DAB reaction product penetrated the intercellular space to a depth of 3-4 cell layers. Statistically, there was a significant difference in intercellular spaces and desmosome count in the superficial cells between the groups. With AL, TJ-related proteins localized at the apical portion of the lateral membrane. TJ-related protein and mRNA amounts were not changed by AL while claudin subtype expression became more consistent and closer to that of in vivo corneal epithelium. The AL technique reduces intercellular spaces in the superficial cells and promotes the formation of the barrier function. It is useful in culturing corneal epithelial cells for use in ocular surface reconstruction.

Plasmachemical and heterogeneous processes in ozonizers with oxygen activation by a dielectric barrier discharge

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

Mankelevich, Yu. A., E-mail: ymankelevich@mics.msu.su; Voronina, E. N.; Poroykov, A. Yu.

Plasmachemical and heterogeneous processes of generation and loss of ozone in the atmosphericpressure dielectric barrier discharge in oxygen are studied theoretically. Plasmachemical and electronic kinetics in the stage of development and decay of a single plasma filament (microdischarge) are calculated numerically with and without allowance for the effects of ozone vibrational excitation and high initial ozone concentration. The developed analytical approach is applied to determine the output ozone concentration taking into account ozone heterogeneous losses on the Al{sub 2}O{sub 3} dielectric surface. Using the results of quantummechanical calculations by the method of density functional theory, a multistage catalytic mechanism ofmore » heterogeneous ozone loss based on the initial passivation of a pure Al{sub 2}O{sub 3} surface by ozone and the subsequent interaction of O{sub 3} molecules with the passivated surface is proposed. It is shown that the conversion reaction 2O{sub 3} → 3O{sub 2} of a gas-phase ozone molecule with a physically adsorbed ozone molecule can result in the saturation of the maximum achievable ozone concentration at high specific energy depositions, the nonstationarity of the output ozone concentration, and its dependence on the prehistory of ozonizer operation.« less

Spin-dependent delay time in ferromagnet/insulator/ferromagnet heterostructures

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

Xie, ZhengWei; Zheng Shi, De; Lv, HouXiang

2014-07-07

We study theoretically spin-dependent group delay and dwell time in ferromagnet/insulator/ferromagnet (FM/I/FM) heterostructure. The results indicate that, when the electrons with different spin orientations tunnel through the FM/I/FM junction, the spin-up process and the spin-down process are separated on the time scales. As the self-interference delay has the spin-dependent features, the variations of spin-dependent dwell-time and spin-dependent group-delay time with the structure parameters appear different features, especially, in low incident energy range. These different features show up as that the group delay times for the spin-up electrons are always longer than those for spin-down electrons when the barrier height ormore » incident energy increase. In contrast, the dwell times for the spin-up electrons are longer (shorter) than those for spin-down electrons when the barrier heights (the incident energy) are under a certain value. When the barrier heights (the incident energy) exceed a certain value, the dwell times for the spin-up electrons turn out to be shorter (longer) than those for spin-down electrons. In addition, the group delay time and the dwell time for spin-up and down electrons also relies on the comparative direction of magnetization in two FM layers and tends to saturation with the thickness of the barrier.« less

Defect Clustering and Nano-phase Structure Characterization of Multicomponent Rare Earth-Oxide-Doped Zirconia-Yttria Thermal Barrier Coatings

NASA Technical Reports Server (NTRS)

Zhu, Dongming; Chen, Yuan L.; Miller, Robert A.

2004-01-01

Advanced thermal barrier coatings (TBCs) have been developed by incorporating multicomponent rare earth oxide dopants into zirconia-based thermal barrier coatings to promote the creation of the thermodynamically stable, immobile oxide defect clusters and/or nanophases within the coating systems. In this paper, the defect clusters, induced by Nd, Gd, and Yb rare earth dopants in the zirconia-yttria thermal barrier coatings, were characterized by high-resolution transmission electron microscopy (TEM). The TEM lattice imaging, selected area diffraction (SAD), and electron energy-loss spectroscopy (EELS) analyses demonstrated that the extensive nanoscale rare earth dopant segregation exists in the plasma-sprayed and electron-physical-vapor-deposited (EB PVD) thermal barrier coatings. The nanoscale concentration heterogeneity and the resulting large lattice distortion promoted the formation of parallel and rotational defective lattice clusters in the coating systems. The presence of the 5-to 100-nm-sized defect clusters and nanophases is believed to be responsible for the significant reduction of thermal conductivity, improved sintering resistance, and long-term high temperature stability of the advanced thermal barrier coating systems.

Bone conditioned media (BCM) improves osteoblast adhesion and differentiation on collagen barrier membranes.

PubMed

Fujioka-Kobayashi, Masako; Caballé-Serrano, Jordi; Bosshardt, Dieter D; Gruber, Reinhard; Buser, Daniel; Miron, Richard J

2016-07-04

The use of autogenous bone chips during guided bone regeneration procedures has remained the gold standard for bone grafting due to its excellent combination of osteoconduction, osteoinduction and osteogenesis. Recent protocols established by our group have characterized specific growth factors and cytokines released from autogenous bone that have the potential to be harvested and isolated into bone conditioned media (BCM). Due to the advantageous osteo-promotive properties of BCM, the aims of the present study was to pre-coat collagen barrier membranes with BCM and investigate its effect on osteoblast adhesion, proliferation and differentiation for possible future clinical use. Scanning electron microscopy (SEM) was first used to qualitative assess BCM protein accumulation on the surface of collagen membranes. Thereafter, undifferentiated mouse ST2 stromal bone marrow cells were seeded onto BioGide porcine derived collagen barrier membranes (control) or barrier membranes pre-coated with BCM (test group). Control and BCM samples were compared for cell adhesion at 8 h, cell proliferation at 1, 3 and 5 days and real-time PCR at 5 days for osteoblast differentiation markers including Runx2, alkaline phosphatase (ALP), osteocalcin (OCN) and bone sialoprotein (BSP). Mineralization was further assessed with alizarin red staining at 14 days post seeding. SEM images demonstrated evidence of accumulated proteins found on the surface of collagen membranes following coating with BCM. Analysis of total cell numbers revealed that the additional pre-coating with BCM markedly increased cell attachment over 4 fold when compared to cells seeded on barrier membranes alone. No significant difference could be observed for cell proliferation at all time points. BCM significantly increased mRNA levels of osteoblast differentiation markers including ALP, OCN and BSP at 5 days post seeding. Furthermore, barrier membranes pre-coated with BCM demonstrated a 5-fold increase in alizarin red staining at 14 days. The results from the present study suggest that the osteoconductive properties of porcine-derived barrier membranes could be further improved by BCM by significantly increasing cell attachment, differentiation and mineralization of osteoblasts in vitro. Future animal testing is required to fully characterize the additional benefits of BCM for guided bone regeneration.

To act or not to act: responses to electronic health record prompts by family medicine clinicians.

PubMed

Zazove, Philip; McKee, Michael; Schleicher, Lauren; Green, Lee; Kileny, Paul; Rapai, Mary; Mulhem, Elie

2017-03-01

A major focus of health care today is a strong emphasis on improving the health and quality of care for entire patient populations. One common approach utilizes electronic clinical alerts to prompt clinicians when certain interventions are due for individual patients being seen. However, these alerts have not been consistently effective, particularly for less visible (though important) conditions such as hearing loss (HL) screening. We conducted hour-long cognitive task analysis interviews to explore how family medicine clinicians view, perceive, and use electronic clinical alerts, and to utilize this information to design a more effective alert using HL identification and referral as a model diagnosis. Four key direct barriers were identified that impeded alert use: poor standardization and formatting, time pressures in primary care, clinic workflow variations, and mental models of the condition being prompted (in this case, HL). One indirect barrier was identified: electronic health record and institution/government regulations. We identified that clinicians' mental model of the condition being prompted was probably the major barrier, though this was often expressed as time pressure. We discuss solutions to each of the 5 identified barriers, such as addressing physicians' mental models, by focusing on physicians' expertise rather than knowledge to improve their comfort when caring for patients with the conditions being prompted. To unleash the potential of electronic clinical alerts, electronic health record and health care institutions need to address some key barriers. We outline these barriers and propose solutions. © The Author 2017. Published by Oxford University Press on behalf of the American Medical Informatics Association. All rights reserved. For Permissions, please email: journals.permissions@oup.com

Chemical solution deposition method of fabricating highly aligned MgO templates

DOEpatents

Paranthaman, Mariappan Parans [Knoxville, TN; Sathyamurthy, Srivatsan [Knoxville, TN; Aytug, Tolga [Knoxville, TN; Arendt, Paul N [Los Alamos, NM; Stan, Liliana [Los Alamos, NM; Foltyn, Stephen R [Los Alamos, NM

2012-01-03

A superconducting article includes a substrate having an untextured metal surface; an untextured barrier layer of La.sub.2Zr.sub.2O.sub.7 or Gd.sub.2Zr.sub.2O.sub.7 supported by and in contact with the surface of the substrate; a biaxially textured buffer layer supported by the untextured barrier layer; and a biaxially textured superconducting layer supported by the biaxially textured buffer layer. Moreover, a method of forming a buffer layer on a metal substrate includes the steps of: providing a substrate having an untextured metal surface; coating the surface of the substrate with a barrier layer precursor; converting the precursor to an untextured barrier layer; and depositing a biaxially textured buffer layer above and supported by the untextured barrier layer.

Tunable Nitride Josephson Junctions.

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

Missert, Nancy A.; Henry, Michael David; Lewis, Rupert M.

We have developed an ambient temperature, SiO 2/Si wafer - scale process for Josephson junctions based on Nb electrodes and Ta x N barriers with tunable electronic properties. The films are fabricated by magnetron sputtering. The electronic properties of the Ta xN barriers are controlled by adjusting the nitrogen flow during sputtering. This technology offers a scalable alternative to the more traditional junctions based on AlO x barriers for low - power, high - performance computing.

Structural Stability of Diffusion Barriers in Cu/Ru/MgO/Ta/Si

PubMed Central

Hsieh, Shu-Huei; Chen, Wen Jauh; Chien, Chu-Mo

2015-01-01

Various structures of Cu (50 nm)/Ru (2 nm)/MgO (0.5–3 nm)/Ta (2 nm)/Si were prepared by sputtering and electroplating techniques, in which the ultra-thin trilayer of Ru (2 nm)/MgO (0.5–3 nm)/Ta (2 nm) is used as the diffusion barrier against the interdiffusion between Cu film and Si substrate. The various structures of Cu/Ru/MgO/Ta/Si were characterized by four-point probes for their sheet resistances, by X-ray diffractometers for their crystal structures, by scanning electron microscopes for their surface morphologies, and by transmission electron microscopes for their cross-section and high resolution views. The results showed that the ultra-thin tri-layer of Ru (2 nm)/MgO (0.5–3 nm)/Ta (2 nm) is an effective diffusion barrier against the interdiffusion between Cu film and Si substrate. The MgO, and Ta layers as deposited are amorphous. The mechanism for the failure of the diffusion barrier is that the Ru layer first became discontinuous at a high temperature and the Ta layer sequentially become discontinuous at a higher temperature, the Cu atoms then diffuse through the MgO layer and to the substrate at the discontinuities, and the Cu3Si phases finally form. The maximum temperature at which the structures of Cu (50 nm)/Ru (2 nm)/MgO (0.5–3 nm)/Ta (2 nm)/Si are annealed and still have low sheet resistance is from 550 to 750 °C for the annealing time of 5 min and from 500 to 700 °C for the annealing time of 30 min. PMID:28347099

Transparent nanocellulosic multilayer thin films on polylactic acid with tunable gas barrier properties.

PubMed

Aulin, Christian; Karabulut, Erdem; Tran, Amy; Wågberg, Lars; Lindström, Tom

2013-08-14

The layer-by-layer (LbL) deposition method was used for the build-up of alternating layers of nanofibrillated cellulose (NFC) or carboxymethyl cellulose (CMC) with a branched, cationic polyelectrolyte, polyethyleneimine (PEI) on flexible poly (lactic acid) (PLA) substrates. With this procedure, optically transparent nanocellulosic films with tunable gas barrier properties were formed. 50 layer pairs of PEI/NFC and PEI/CMC deposited on PLA have oxygen permeabilities of 0.34 and 0.71 cm(3)·μm/m(2)·day·kPa at 23 °C and 50% relative humidity, respectively, which is in the same range as polyvinyl alcohol and ethylene vinyl alcohol. The oxygen permeability of these multilayer nanocomposites outperforms those of pure NFC films prepared by solvent-casting. The nanocellulosic LbL assemblies on PLA substrates was in detailed characterized using a quartz crystal microbalance with dissipation (QCM-D). Atomic force microscopy (AFM) reveals large structural differences between the PEI/NFC and the PEI/CMC assemblies, with the PEI/NFC assembly showing a highly entangled network of nanofibrils, whereas the PEI/CMC surfaces lacked structural features. Scanning electron microscopy images showed a nearly perfect uniformity of the nanocellulosic coatings on PLA, and light transmittance results revealed remarkable transparency of the LbL-coated PLA films. The present work demonstrates the first ever LbL films based on high aspect ratio, water-dispersible nanofibrillated cellulose, and water-soluble carboxymethyl cellulose polymers that can be used as multifunctional films and coatings with tailorable properties, such as gas barriers and transparency. Owing to its flexibility, transparency and high-performance gas barrier properties, these thin film assemblies are promising candidates for several large-scale applications, including flexible electronics and renewable packaging.

Electrostatic potential barrier for electron emission at graphene edges induced by the nearly free electron states

NASA Astrophysics Data System (ADS)

Gao, Yanlin; Okada, Susumu

2017-05-01

Using the density functional theory, we studied the electronic structures of zigzag graphene nanoribbons with hydroxyl, H, ketone, aldehyde, or carboxyl terminations under a lateral electric field. The critical electric field for electron emission is proportional to the work function of the functionalized edges except the hydroxylated edge, which leads to the anomalous electric field outside the edge, owing to the electrons in the nearly free electron (NFE) state in the vacuum region. The strong electric field also causes a potential barrier for the electron emission from the H-terminated edge owing to the downward shift of the NFE state.

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.

Atmospheric deposition process for enhanced hybrid organic-inorganic multilayer barrier thin films for surface protection

NASA Astrophysics Data System (ADS)

Rehman, Mohammad Mutee ur; Kim, Kwang Tae; Na, Kyoung Hoan; Choi, Kyung Hyun

2017-11-01

In this study, organic polymer poly-vinyl acetate (PVA) and inorganic aluminum oxide (Al2O3) have been used together to fabricate a hybrid barrier thin film for the protection of PET substrate. The organic thin films of PVA were developed through roll to roll electrohydrodynamic atomization (R2R-EHDA) whereas the inorganic thin films of Al2O3 were grown by roll to roll spatial atmospheric atomic layer deposition (R2R-SAALD) for mass production. The use of these two technologies together to develop a multilayer hybrid organic-inorganic barrier thin films under atmospheric conditions is reported for the first time. These multilayer hybrid barrier thin films are fabricated on flexible PET substrate. Each layer of Al2O3 and PVA in barrier thin film exhibited excellent morphological, chemical and optical properties. Extremely uniform and atomically thin films of Al2O3 with average arithmetic roughness (Ra) of 1.64 nm and 1.94 nm respectively concealed the non-uniformity and irregularities in PVA thin films with Ra of 2.9 nm and 3.6 nm respectively. The optical transmittance of each layer was ∼ 80-90% while the water vapor transmission rate (WVTR) of hybrid barrier was in the range of ∼ 2.3 × 10-2 g m-2 day-1 with a total film thickness of ∼ 200 nm. Development of such hybrid barrier thin films with mass production and low cost will allow various flexible electronic devices to operate in atmospheric conditions without degradation of their properties.

Time dependent changes in Schottky barrier mapping of the W/Si(001) interface utilizing ballistic electron emission microscopy

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

Durcan, Chris A.; Balsano, Robert; LaBella, Vincent P., E-mail: vlabella@albany.edu

2015-06-28

The W/Si(001) Schottky barrier height is mapped to nanoscale dimensions using ballistic electron emission microscopy (BEEM) over a period of 21 days to observe changes in the interface electrostatics. Initially, the average spectrum is fit to a Schottky barrier height of 0.71 eV, and the map is uniform with 98% of the spectra able to be fit. After 21 days, the average spectrum is fit to a Schottky barrier height of 0.62 eV, and the spatial map changes dramatically with only 27% of the spectra able to be fit. Transmission electron microscopy shows the formation of an ultra-thin tungsten silicide at themore » interface, which increases in thickness over the 21 days. This increase is attributed to an increase in electron scattering and the changes are observed in the BEEM measurements. Interestingly, little to no change is observed in the I-V measurements throughout the 21 day period.« less

Kinetic barriers for Cd and Te adatoms on Cd and Te terminated CdTe (111) surface using ab initio simulations

NASA Astrophysics Data System (ADS)

Naderi, Ebadollah; Nanavati, Sachin P.; Majumder, Chiranjib; Ghaisas, S. V.

2014-03-01

In the present work we have calculated using density functional theory (DFT), diffusion barrier potentials on both the CdTe (111) surfaces, Cd terminated (A-type) & Te terminated (B-type). We employ nudge elastic band method (NEB) for obtaining the barrier potentials. The barrier is computed for Cd and for Te adatoms on both A-type and B-type surfaces. We report two energetically favourable positions along the normal to the surface, one above and other below the surface. The one above the surface has binding energy slightly more the one below. According to the results of this work, binding energy (in all cases) for adatoms are reasonable and close to experimental data. The barrier potential for hopping adatoms (Cd and Te) on both the surfaces is less than 0.35 eV. Apart from these most probable sites, there are other at least two sites on both the types of surfaces which are meta stable. We have also computed barriers for hopping to and from these meta stable positions. The present results can shade light on the defect formation mechanism in CdTe thin films during growth. The authors would like to thank C-DAC for the computing time on its PARAM series of supercomputers and DST Govt. of India, for partial funding.

Surface Conduction in III-V Semiconductor Infrared Detector Materials

NASA Astrophysics Data System (ADS)

Sidor, Daniel Evan

III-V semiconductors are increasingly used to produce high performance infrared photodetectors; however a significant challenge inherent to working with these materials is presented by unintended electrical conduction pathways that form along their surfaces. Resulting leakage currents contribute to system noise and are ineffectively mitigated by device cooling, and therefore limit ultimate performance. When the mechanism of surface conduction is understood, the unipolar barrier device architecture offers a potential solution. III-V bulk unipolar barrier detectors that effectively suppress surface leakage have approached the performance of the best II-VI pn-based structures. This thesis begins with a review of empirically determined Schottky barrier heights and uses this information to present a simple model of semiconductor surface conductivity. The model is validated through measurements of degenerate n-type surface conductivity on InAs pn junctions, and non-degenerate surface conductivity on GaSb pn junctions. It is then extended, along with design principles inspired by the InAs-based nBn detector, to create a flat-band pn-based unipolar barrier detector possessing a conductive surface but free of detrimental surface leakage current. Consideration is then given to the relative success of these and related bulk detectors in suppressing surface leakage when compared to analogous superlattice-based designs, and general limitations of unipolar barriers in suppressing surface leakage are proposed. Finally, refinements to the molecular beam epitaxy crystal growth techniques used to produce InAs-based unipolar barrier heterostructure devices are discussed. Improvements leading to III-V device performance well within an order of magnitude of the state-of-the-art are demonstrated.

Thermoelectric properties of periodic quantum structures in the Wigner-Rode formalism

NASA Astrophysics Data System (ADS)

Kommini, Adithya; Aksamija, Zlatan

2018-01-01

Improving the thermoelectric Seebeck coefficient, while simultaneously reducing thermal conductivity, is required in order to boost thermoelectric (TE) figure of merit (ZT). A common approach to improve the Seebeck coefficient is electron filtering where ‘cold’ (low energy) electrons are restricted from participating in transport by an energy barrier (Kim and Lundstrom 2011 J. Appl. Phys. 110 034511, Zide et al 2010 J. Appl. Phys. 108 123702). However, the impact of electron tunneling through thin barriers and resonant states on TE properties has been given less attention, despite the widespread use of quantum wells and superlattices (SLs) in TE applications. In our work, we develop a comprehensive transport model using the Wigner-Rode formalism. We include the full electronic bandstructure and all the relevant scattering mechanisms, allowing us to simulate both energy relaxation and quantum effects from periodic potential barriers. We study the impact of barrier shape on TE performance and find that tall, sharp barriers with small period lengths lead to the largest increase in both Seebeck coefficient and conductivity, thus boosting power factor and TE efficiency. Our findings are robust against additional elastic scattering such as atomic-scale roughness at side-walls of SL nanowires.

Electronic structure of sputter deposited MgO(100) tunnel barriers in magnetic tunnel junction structures exhibiting giant tunneling magnetoresistance

NASA Astrophysics Data System (ADS)

Yang, See-Hun; Samant, Mahesh; Parkin, Stuart

2007-03-01

Giant tunneling magnetoresistance (TMR) in magnetic tunnel junctions formed with crystalline MgO tunnel barriers [1] have potential applications in a wide variety of spintronic devices. However, the relationship of the TMR to the detailed chemical and electronic structure of the MgO barrier and its interfaces with the ferromagnetic electrodes is not yet fully understood. We have carried out valence band photoemission spectroscopy and x-ray absorption spectroscopy to characterize the chemical state and electronic structure of sputter deposited, highly oriented, MgO (001) barriers and its interfaces with ferromagnetic electrodes. A large band gap of ˜7.5 eV is found even for ultrathin MgO layers. This is consistent with barrier heights found from fitting current versus voltage curves providing that very small effective electron masses are used. We discuss the role of thin Mg interface layers that we have used to reduce oxidation of the underlying ferromagnetic layer during the MgO layer formation [1]. [1] S. S. P. Parkin, C. Kaiser, A. Panchula, P. M. Rice, B. Hughes, M. Samant, S.-H. Yang, Nature Materials 3, 862 (2004).

Parallel-processing with surface plasmons, a new strategy for converting the broad solar spectrum

NASA Technical Reports Server (NTRS)

Anderson, L. M.

1982-01-01

A new strategy for efficient solar-energy conversion is based on parallel processing with surface plasmons: guided electromagnetic waves supported on thin films of common metals like aluminum or silver. The approach is unique in identifying a broadband carrier with suitable range for energy transport and an inelastic tunneling process which can be used to extract more energy from the more energetic carriers without requiring different materials for each frequency band. The aim is to overcome the fundamental 56-percent loss associated with mismatch between the broad solar spectrum and the monoenergetic conduction electrons used to transport energy in conventional silicon solar cells. This paper presents a qualitative discussion of the unknowns and barrier problems, including ideas for coupling surface plasmons into the tunnels, a step which has been the weak link in the efficiency chain.

Room temperature-synthesized vertically aligned InSb nanowires: electrical transport and field emission characteristics

PubMed Central

2013-01-01

Vertically aligned single-crystal InSb nanowires were synthesized via the electrochemical method at room temperature. The characteristics of Fourier transform infrared spectrum revealed that in the syntheses of InSb nanowires, energy bandgap shifts towards the short wavelength with the occurrence of an electron accumulation layer. The current–voltage curve, based on the metal–semiconductor–metal model, showed a high electron carrier concentration of 2.0 × 1017 cm−3 and a high electron mobility of 446.42 cm2 V−1 s−1. Additionally, the high carrier concentration of the InSb semiconductor with the surface accumulation layer induced a downward band bending effect that reduces the electron tunneling barrier. Consequently, the InSb nanowires exhibit significant field emission properties with an extremely low turn-on field of 1.84 V μm−1 and an estimative threshold field of 3.36 V μm−1. PMID:23399075

Nanostructure Engineered Chemical Sensors for Hazardous Gas and Vapor Detection

NASA Technical Reports Server (NTRS)

Li, Jing; Lu, Yijiang

2005-01-01

A nanosensor technology has been developed using nanostructures, such as single walled carbon nanotubes (SWNTs) and metal oxides nanowires or nanobelts, on a pair of interdigitated electrodes (IDE) processed with a silicon based microfabrication and micromachining technique. The IDE fingers were fabricated using thin film metallization techniques. Both in-situ growth of nanostructure materials and casting of the nanostructure dispersions were used to make chemical sensing devices. These sensors have been exposed to hazardous gases and vapors, such as acetone, benzene, chlorine, and ammonia in the concentration range of ppm to ppb at room temperature. The electronic molecular sensing in our sensor platform can be understood by electron modulation between the nanostructure engineered device and gas molecules. As a result of the electron modulation, the conductance of nanodevice will change. Due to the large surface area, low surface energy barrier and high thermal and mechanical stability, nanostructured chemical sensors potentially can offer higher sensitivity, lower power consumption and better robustness than the state-of-the-art systems, which make them more attractive for defense and space applications. Combined with MEMS technology, light weight and compact size sensors can be made in wafer scale with low cost.

Signatures of Phonon and Defect-Assisted Tunneling in Planar Metal-Hexagonal Boron Nitride-Graphene Junctions.

PubMed

Chandni, U; Watanabe, K; Taniguchi, T; Eisenstein, J P

2016-12-14

Electron tunneling spectroscopy measurements on van der Waals heterostructures consisting of metal and graphene (or graphite) electrodes separated by atomically thin hexagonal boron nitride tunnel barriers are reported. The tunneling conductance, dI/dV, at low voltages is relatively weak, with a strong enhancement reproducibly observed to occur at around |V| ≈ 50 mV. While the weak tunneling at low energies is attributed to the absence of substantial overlap, in momentum space, of the metal and graphene Fermi surfaces, the enhancement at higher energies signals the onset of inelastic processes in which phonons in the heterostructure provide the momentum necessary to link the Fermi surfaces. Pronounced peaks in the second derivative of the tunnel current, d 2 I/dV 2 , are observed at voltages where known phonon modes in the tunnel junction have a high density of states. In addition, features in the tunneling conductance attributed to single electron charging of nanometer-scale defects in the boron nitride are also observed in these devices. The small electronic density of states of graphene allows the charging spectra of these defect states to be electrostatically tuned, leading to "Coulomb diamonds" in the tunneling conductance.

Multistate metadynamics for automatic exploration of conical intersections

NASA Astrophysics Data System (ADS)

Lindner, Joachim O.; Röhr, Merle I. S.; Mitrić, Roland

2018-05-01

We introduce multistate metadynamics for automatic exploration of conical intersection seams between adiabatic Born-Oppenheimer potential energy surfaces in molecular systems. By choosing the energy gap between the electronic states as a collective variable the metadynamics drives the system from an arbitrary ground-state configuration toward the intersection seam. Upon reaching the seam, the multistate electronic Hamiltonian is extended by introducing biasing potentials into the off-diagonal elements, and the molecular dynamics is continued on a modified potential energy surface obtained by diagonalization of the latter. The off-diagonal bias serves to locally open the energy gap and push the system to the next intersection point. In this way, the conical intersection energy landscape can be explored, identifying minimum energy crossing points and the barriers separating them. We illustrate the method on the example of furan, a prototype organic molecule exhibiting rich photophysics. The multistate metadynamics reveals plateaus on the conical intersection energy landscape from which the minimum energy crossing points with characteristic geometries can be extracted. The method can be combined with the broad spectrum of electronic structure methods and represents a generally applicable tool for the exploration of photophysics and photochemistry in complex molecules and materials.

Visible-blind ultraviolet photodiode fabricated by UV oxidation of metallic zinc on p-Si

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

Zhang, Dongyuan; Uchida, Kazuo; Nozaki, Shinji, E-mail: nozaki@ee.uec.ac.jp

A UV photodiode fabricated by the UV oxidation of a metallic zinc thin film on p-Si has manifested unique photoresponse characteristics. The electron concentration found by the Hall measurement was 3 × 10{sup 16 }cm{sup −3}, and such a low electron concentration resulted in a low visible photoluminescence. UV illumination enhances the oxidation at low temperatures and decreases the concentration of the oxygen vacancies. The I-V characteristic showed a good rectification with a four-order magnitude difference in the forward and reverse currents at 2 V, and its linear and frequency independent C{sup −2}–V characteristic confirmed an abrupt pn junction. The photoresponse showed a visiblemore » blindness with a responsivity ratio of UV and visible light as high as 100. Such a visible-blind photoresponse was attributed to the optimum thickness of the SiO{sub 2} formed on the Si surface during the UV oxidation at 400 °C. A lower potential barrier to holes at the ZnO/SiO{sub 2} interface facilitates Fowler-Nordheim tunneling of the photo-generated holes during the UV illumination, while a higher potential barrier to electrons efficiently blocks transport of the photo-generated electrons to the ZnO during the visible light illumination. The presence of oxide resulted in a slow photoresponse to the turn-on and off of the UV light. A detailed analysis is presented to understand how the photo-generated carriers contribute step by step to the photocurrent. In addition to the slow photoresponse associated with the SiO{sub 2} interfacial layer, the decay of the photocurrent was found extremely slow after turn-off of the UV light. Such a slow decay of the photocurrent is referred to as a persistent photoconductivity, which is caused by metastable deep levels. It is hypothesized that Zn vacancies form such a deep level, and that the photo-generated electrons need to overcome a thermal-energy barrier for capture. The ZnO film by the UV oxidation at 400 °C was found to be rich in oxygen and deficient in zinc.« less

Effect of graphene tunnel barrier on Schottky barrier height of Heusler alloy Co2MnSi/graphene/n-Ge junction

NASA Astrophysics Data System (ADS)

Gui-fang, Li; Jing, Hu; Hui, Lv; Zhijun, Cui; Xiaowei, Hou; Shibin, Liu; Yongqian, Du

2016-02-01

We demonstrate that the insertion of a graphene tunnel barrier between Heusler alloy Co2MnSi and the germanium (Ge) channel modulates the Schottky barrier height and the resistance-area product of the spin diode. We confirm that the Fermi level is depinned and a reduction in the electron Schottky barrier height (SBH) occurs following the insertion of the graphene layer between Co2MnSi and Ge. The electron SBH is modulated in the 0.34 eV-0.61 eV range. Furthermore, the transport mechanism changes from rectifying to symmetric tunneling following the insertion. This behavior provides a pathway for highly efficient spin injection from a Heusler alloy into a Ge channel with high electron and hole mobility. Project supported by the National Natural Science Foundation of China (Grant No. 61504107) and the Fundamental Research Funds for the Central Universities, China (Grant Nos. 3102014JCQ01059 and 3102015ZY043).

Preparation and Characterization of Composites Based on Polylactic Acid and Beeswax with Improved Water Vapor Barrier Properties.

PubMed

Lim, Jung Hoon; Kim, Jeong Ae; Ko, Jung A; Park, Hyun Jin

2015-11-01

Beeswax and a plasticizer (ATBC) were added to polylactic acid (PLA) films in order to enhance the water vapor barrier properties of the films. Beeswax improved the barrier properties; the water vapor permeability in the composite containing 1% beeswax was 58% lower than that of the neat PLA. Fourier transform infrared spectroscopy and X-ray diffraction analysis revealed that the incorporation of beeswax and ATBC had so little effect on the PLA structure. In addition, the structure of PLA did not vary substantially with the additions. The surfaces of the composites were examined by using field emission scanning electron microscopy. Differential scanning calorimetry results showed that the degree of crystallinity of the PLA films increased with the addition of beeswax and ATBC. However, the tensile strength and elongation at break of the composites containing beeswax were up to approximately 50% lower than those of the neat PLA. Although further study is needed to improve the mechanical properties, the aforementioned results showed that the PLA barrier properties can be improved by the incorporation of a small amount of beeswax and ATBC. The results of this study can be applied for the preparation of PLA composite films with improved barrier properties. Such biodegradable films are extremely useful for applications in the food packaging industry. © 2015 Institute of Food Technologists®

Imprinted polymer-carbon consolidated composite fiber sensor for substrate-selective electrochemical sensing of folic acid.

PubMed

Prasad, Bhim Bali; Madhuri, Rashmi; Tiwari, Mahavir Prasad; Sharma, Piyush Sindhu

2010-05-15

Molecularly imprinted polymers (MIPs) are often electrically insulating materials. Due to the presence of diffusion barrier(s) in between such MIP coating and electrode surface and the absence of a direct path for the conduction of electrons from the binding sites to the electrode, the development of electrochemical sensor is significantly restricted. The direct use of MIPs those possess intrinsic electron-transport properties, is highly limited. These problems are resolved by the design of an original, substrate-selective MIP-fiber sensor that combines conventional insulating MIP and conducting carbon powder in consolidated phase. A layer of conducting carbon particles, arranged orderly as 'carbon strip', is inducted in the polymer for direct electronic conduction. MIP-carbon composite (monolithic fiber) in this work is prepared via in situ free radical polymerization of a new monomer (2,4,6-trisacrylamido-1,3,5-triazine, TAT) and subsequent cross-linkage with ethylene glycol dimethacrylate, in the presence of carbon powder and template (folic acid), at 55 degrees C in a glass capillary. The detection of folic acid with the MIP-fiber sensor was found to be specific and quantitative (detection limit 0.20 ng mL(-1), RSD=1.3%, S/N=3), in aqueous, blood serum and pharmaceutical samples, without any problem of non-specific false-positive contribution and cross-reactivity. 2010 Elsevier B.V. All rights reserved.

Effect of the δ-potential on spin-dependent electron tunneling in double barrier semiconductor heterostructure

NASA Astrophysics Data System (ADS)

Chandrasekar, L. Bruno; Gnanasekar, K.; Karunakaran, M.

2018-06-01

The effect of δ-potential was studied in GaAs/Ga0.6Al0·4As double barrier heterostructure with Dresselhaus spin-orbit interaction. The role of barrier height and position of the δ- potential in the well region was analysed on spin-dependent electron tunneling using transfer matrix method. The spin-separation between spin-resonances on energy scale depends on both height and position of the δ- potential, whereas the tunneling life time of electrons highly influenced by the position of the δ- potential and not on the height. These results might be helpful for the fabrication of spin-filters.

Dopant-controlled single-electron pumping through a metallic island

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

Wenz, Tobias, E-mail: tobias.wenz@ptb.de; Hohls, Frank, E-mail: frank.hohls@ptb.de; Jehl, Xavier

We investigate a hybrid metallic island/single dopant electron pump based on fully depleted silicon-on-insulator technology. Electron transfer between the central metallic island and the leads is controlled by resonant tunneling through single phosphorus dopants in the barriers. Top gates above the barriers are used to control the resonance conditions. Applying radio frequency signals to the gates, non-adiabatic quantized electron pumping is achieved. A simple deterministic model is presented and confirmed by comparing measurements with simulations.

The structure, energetics, and nature of the chemical bonding of phenylthiol adsorbed on the Au(111) surface: implications for density-functional calculations of molecular-electronic conduction.

PubMed

Bilić, Ante; Reimers, Jeffrey R; Hush, Noel S

2005-03-01

The adsorption of phenylthiol on the Au(111) surface is modeled using Perdew and Wang density-functional calculations. Both direct molecular physisorption and dissociative chemisorption via S-H bond cleavage are considered as well as dimerization to form disulfides. For the major observed product, the chemisorbed thiol, an extensive potential-energy surface is produced as a function of both the azimuthal orientation of the adsorbate and the linear translation of the adsorbate through the key fcc, hcp, bridge, and top binding sites. Key structures are characterized, the lowest-energy one being a broad minimum of tilted orientation ranging from the bridge structure halfway towards the fcc one. The vertically oriented threefold binding sites, often assumed to dominate molecular electronics measurements, are identified as transition states at low coverage but become favored in dense monolayers. A similar surface is also produced for chemisorption of phenylthiol on Ag(111); this displays significant qualitative differences, consistent with the qualitatively different observed structures for thiol chemisorption on Ag and Au. Full contours of the minimum potential energy as a function of sulfur translation over the crystal face are described, from which the barrier to diffusion is deduced to be 5.8 kcal mol(-1), indicating that the potential-energy surface has low corrugation. The calculated bond lengths, adsorbate charge and spin density, and the density of electronic states all indicate that, at all sulfur locations, the adsorbate can be regarded as a thiyl species that forms a net single covalent bond to the surface of strength 31 kcal mol(-1). No detectable thiolate character is predicted, however, contrary to experimental results for alkyl thiols that indicate up to 20%-30% thiolate involvement. This effect is attributed to the asymptotic-potential error of all modern density functionals that becomes manifest through a 3-4 eV error in the lineup of the adsorbate and substrate bands. Significant implications are described for density-functional calculations of through-molecule electron transport in molecular electronics.

Super-giant magnetoresistance at room-temperature in copper nanowires due to magnetic field modulation of potential barrier heights at nanowire-contact interfaces

NASA Astrophysics Data System (ADS)

Hossain, Md I.; Maksud, M.; Palapati, N. K. R.; Subramanian, A.; Atulasimha, J.; Bandyopadhyay, S.

2016-07-01

We have observed a super-giant (∼10 000 000%) negative magnetoresistance at 39 mT field in Cu nanowires contacted with Au contact pads. In these nanowires, potential barriers form at the two Cu/Au interfaces because of Cu oxidation that results in an ultrathin copper oxide layer forming between Cu and Au. Current flows when electrons tunnel through, and/or thermionically emit over, these barriers. A magnetic field applied transverse to the direction of current flow along the wire deflects electrons toward one edge of the wire because of the Lorentz force, causing electron accumulation at that edge and depletion at the other. This lowers the potential barrier at the accumulated edge and raises it at the depleted edge, causing a super-giant magnetoresistance at room temperature.

Super-giant magnetoresistance at room-temperature in copper nanowires due to magnetic field modulation of potential barrier heights at nanowire-contact interfaces.

PubMed

Hossain, Md I; Maksud, M; Palapati, N K R; Subramanian, A; Atulasimha, J; Bandyopadhyay, S

2016-07-29

We have observed a super-giant (∼10 000 000%) negative magnetoresistance at 39 mT field in Cu nanowires contacted with Au contact pads. In these nanowires, potential barriers form at the two Cu/Au interfaces because of Cu oxidation that results in an ultrathin copper oxide layer forming between Cu and Au. Current flows when electrons tunnel through, and/or thermionically emit over, these barriers. A magnetic field applied transverse to the direction of current flow along the wire deflects electrons toward one edge of the wire because of the Lorentz force, causing electron accumulation at that edge and depletion at the other. This lowers the potential barrier at the accumulated edge and raises it at the depleted edge, causing a super-giant magnetoresistance at room temperature.

Band-selective filter in a zigzag graphene nanoribbon.

PubMed

Nakabayashi, Jun; Yamamoto, Daisuke; Kurihara, Susumu

2009-02-13

Electric transport of a zigzag graphene nanoribbon through a steplike potential and a barrier potential is investigated by using the recursive Green's function method. In the case of the steplike potential, we demonstrate numerically that scattering processes obey a selection rule for the band indices when the number of zigzag chains is even; the electrons belonging to the "even" ("odd") bands are scattered only into the even (odd) bands so that the parity of the wave functions is preserved. In the case of the barrier potential, by tuning the barrier height to be an appropriate value, we show that it can work as the "band-selective filter", which transmits electrons selectively with respect to the indices of the bands to which the incident electrons belong. Finally, we suggest that this selection rule can be observed in the conductance by applying two barrier potentials.

Diagnostics of pre-breakdown light emission in a helium coplanar barrier discharge: the presence of neutral bremsstrahlung

NASA Astrophysics Data System (ADS)

Navrátil, Zdeněk; Morávek, Tomáš; Ráheľ, Jozef; Čech, Jan; Lalinský, Ondřej; Trunec, David

2017-05-01

Weak light emission (˜10-3 of active discharge signal; average count rate ˜ 1 photon s-1 nm-1) associated with surface charge relaxation during the dark phase of a helium diffuse coplanar barrier discharge was studied by optical emission spectroscopy, using a technique of phase-resolved single photon counting. The optical emission spectra of the dark phase contained luminescent bands of the dielectrics used (Al2O3, AlN) and spectral lines from the gas constituents (OH*, {{{N}}}2* , {{{N}}}2+* , He*, He{}2* , O*). During the charge relaxation event, a broad continuum appeared in the optical emission spectra, consisting of bremsstrahlung radiation and amplified luminescence of the dielectric barrier. The analysis presented suggests that the bremsstrahlung radiation originated from slow electrons colliding with neutral helium atoms. The fitting procedure we developed reproduced well the observed shape of the continuum. Moreover, it provided a method for the determination of electric field strength in the discharge during this particular phase. The electric field reached 1 kV cm-1 during the charge relaxation event.

Epitaxial growth of thermally stable cobalt films on Au(111)

NASA Astrophysics Data System (ADS)

Haag, N.; Laux, M.; Stöckl, J.; Kollamana, J.; Seidel, J.; Großmann, N.; Fetzer, R.; Kelly, L. L.; Wei, Z.; Stadtmüller, B.; Cinchetti, M.; Aeschlimann, M.

2016-10-01

Ferromagnetic thin films play a fundamental role in spintronic applications as a source for spin polarized carriers and in fundamental studies as ferromagnetic substrates. However, it is challenging to produce such metallic films with high structural quality and chemical purity on single crystalline substrates since the diffusion barrier across the metal-metal interface is usually smaller than the thermal activation energy necessary for smooth surface morphologies. Here, we introduce epitaxial thin Co films grown on an Au(111) single crystal surface as a thermally stable ferromagnetic thin film. Our structural investigations reveal an identical growth of thin Co/Au(111) films compared to Co bulk single crystals with large monoatomic Co terraces with an average width of 500 Å, formed after thermal annealing at 575 K. Combining our results from photoemission and Auger electron spectroscopy, we provide evidence that no significant diffusion of Au into the near surface region of the Co film takes place for this temperature and that no Au capping layer is formed on top of Co films. Furthermore, we show that the electronic valence band is dominated by a strong spectral contribution from a Co 3d band and a Co derived surface resonance in the minority band. Both states lead to an overall negative spin polarization at the Fermi energy.

EBIC investigation of hydrogenation of crystal defects in EFG solar silicon ribbons

NASA Technical Reports Server (NTRS)

Sullivan, T.; Ast, D. G.

1983-01-01

Changes in the contrast and resolution of defect structures in 205 Ohm-cm EFG polysilicon ribbon subjected to annealing and hydrogenation treatments were observed in a JEOL 733 Superprobe scanning electron microscope, using electron beam induced current (EBIC) collected at an A1 Schottky barrier. The Schottky barrier was formed by evaporation of A1 onto the cleaned and polished surface of the ribbon material. Measurement of beam energy, beam current, and the current induced in the Schottky diode enabled observations to be quantified. Exposure to hydrogen plasma increased charge collection efficiency. However, no simple causal relationship between the hydrogenation and charge collection efficiency could be inferred, because the collection efficiency also displayed an unexpected thermal dependence. Good quality intermediate-magnification (1000X-5400X) EBIC micrographs of several specific defect structures were obtained. Comparison of grown-in and stress-induced dislocations after annealing in vacuum at 500 C revealed that stress-induced dislocations are hydrogenated to a much greater degree than grown-in dislocations. The theoretical approximations used to predict EBIC contrast and resolution may not be entirely adequate to describe them under high beam energy and low beam current conditions.

Vibrational spectroscopy, intramolecular CH⋯O interaction and conformational analysis of 2,5-dimethyl-benzyl benzoate

NASA Astrophysics Data System (ADS)

Viana, Rommel B.; Ribeiro, Gabriela L. O.; Valencia, Leidy J.; Varela, Jaldyr J. G.; Viana, Anderson B.; da Silva, Albérico B. F.; Moreno-Fuquen, Rodolfo

2016-12-01

The aim of this study was to report the spectroscopic and electronic properties of 2,5-dimethyl-benzyl benzoate. FT-IR and Raman vibrational spectral analyses were performed, while a computational approach was used to elucidate the vibrational frequency couplings. The electronic properties were predicted using the Density Functional Theory, while the G3MP2 method was employed in the thermochemical calculation. A conformational analysis, frontier orbitals, partial atomic charge distribution and the molecular electrostatic potential were also estimated. Concerning to the dihedral angles in the ester group, a conformational analysis showed a barrier energy of 10 kcal mol-1, while other small barriers (below 0.6 kcal mol-1) were predicted within the potential surface energy investigation. Insights into the relative stability among the different positions of methyl groups in the phenyl ring demonstrated that the energy gaps were lower than 1 kcal mol-1 among the regioisomers. In addition, the Quantum Theory of Atoms in Molecules (QTAIM) was used to understand the intramolecular CH⋯O interaction in the title compound, while various methodologies were applied in the atomic charge distribution to evaluate the susceptibility to the population method.

Predictions of Microstreamer Properties in Dielectric Barrier Discharges

NASA Astrophysics Data System (ADS)

Xu, Xudong; Kushner, Mark J.

1997-10-01

Dielectric Barrier Discharges (DBD) are being investigated for plasma remediation of toxic gases. The microstreamers in DBD's (10s - 100s μm's diameter) are terminated by dielectric charging which removes voltage from the gap. The microstreamers grow by radial diffusion into regions of high electric field and subsequent avalanche. 1-d and 2-d plasma hydrodynamics models have been developed to investigate these processes in DBDs sustained in air, nonattaching gases (Ar, N_2) and highly attaching gas mixtures (10s to 100s ppm of CCl_4). We found that microstreamers continue to radially expand as long as there is sufficient applied voltage in the absence of dielectric charging in advance of the core of the microstreamer. This observation implies that there is a finite surface conductivity which allows radial flow of current and subsequent charging of the dielectric. Predictions for microstreamer radii using this process agree well with experiments.(J. Coogan, Trans. Plasma Sci. 24, 91 (1996)) We also found that in electronegative gases, voltage collapes in the core of the streamer results in cooling and rapid attachment of electrons, creating a core which is largely converted to a negative ion-positive ion plasma, surrounded by an avalanching shell of hot electrons.

Lateral tunneling through voltage-controlled barriers

NASA Technical Reports Server (NTRS)

Manion, S. J.; Bell, L. D.; Kaiser, W. J.; Maker, P. D.; Muller, R. E.

1991-01-01

The paper reports on a detailed experimental investigation of lateral tunneling between electrodes of a two-dimensional electron gas separated by the voltage-controlled barrier of a nanometer Schottky gate. The experimental data are modeled using the WKB method to calculate the tunneling probability of electrons through a barrier whose shape is determined from a solution of the two-dimensional Poisson equation. This model is in excellent agreement with the experimental data over a two order of magnitude range of current.

Enhancement of carbon-steel peel adhesion to rubber blend using atmospheric pressure plasma

NASA Astrophysics Data System (ADS)

Kršková, Jana; Skácelová, Dana; Kováčik, Dušan; Ráhel', Jozef; Pret'o, Jozef; Černák, Mirko

2016-08-01

The surface of carbon-steel plates was modified by non-equilibrium plasma of diffuse coplanar surface barrier discharge (DCSBD) in order to improve the adhesive properties to the NR (natural rubber) green rubber compound. The effect of different treatment times as well as different input power and frequency of supplied high voltage was investigated. The samples were characterized using contact angle and surface free energy measurement, measurement of adhesive properties, scanning electron microscopy (SEM) and atomic force microscopy (AFM). Surface chemical composition was studied by energy-dispersive X-ray spectroscopy (EDX). Significant increase in wettability was observed even after 2 s of plasma exposure. The surface modification was confirmed also by peel test, where the best results were obtained for 6 s of plasma treatment. In addition the ageing effect was studied to investigate the durability of modification, which is crucial for the industrial applications. Contribution to the topical issue "6th Central European Symposium on Plasma Chemistry (CESPC-6)", edited by Nicolas Gherardi, Ester Marotta and Cristina Paradisi

Surface modifications of photoanodes in dye sensitized solar cells: enhanced light harvesting and reduced recombination

NASA Astrophysics Data System (ADS)

Saxena, Vibha; Aswal, D. K.

2015-06-01

In a quest to harvest solar power, dye-sensitized solar cells (DSSCs) have potential for low-cost eco-friendly photovoltaic devices. The major processes which govern the efficiency of a DSSC are photoelectron generation, injection of photo-generated electrons to the conduction band (CB) of the mesoporous nanocrystalline semiconductor (nc-SC); transport of CB electrons through nc-SC and subsequent collection of CB electrons at the counter electrode (CE) through the external circuit; and dye regeneration by redox couple or hole transport layer (HTL). Most of these processes occur at various interfaces of the photoanode. In addition, recombination losses of photo-generated electrons with either dye or redox molecules take place at the interfaces. Therefore, one of the key requirements for high efficiency is to improve light harvesting of the photoanode and to reduce the recombination losses at various interfaces. In this direction, surface modification of the photoanode is the simplest method among the various other approaches available in the literature. In this review, we present a comprehensive discussion on surface modification of the photoanode, which has been adopted in the literature for not only enhancing light harvesting but also reducing recombination. Various approaches towards surface modification of the photoanode discussed are (i) fluorine-doped tin oxide (FTO)/nc-SC interface modified via a compact layer of semiconductor material which blocks exposed sites of FTO to electrolyte (or HTL), (ii) nc-SC/dye interface modification either through acid treatment resulting in enhanced dye loading due to a positively charged surface or by depositing insulating/semiconducting blocking layer on the nc-SC surface, which acts as a tunneling barrier for recombination, (iii) nc-SC/dye interface modified by employing co-adsorbents which helps in reducing the dye aggregation and thereby recombination, and (iv) dye/electrolyte (or dye/HTL) interface modification using additives which provides surface passivation as well as positive movement of the nc-SC Fermi level owing to negative charge at the surface and hence improves light harvesting and reduced recombination. Finally, we discuss the advantages and disadvantages of various approaches towards high-efficiency DSSCs.

A radio frequency coaxial feedthrough

DOEpatents

Owens, T.L.

1987-12-07

An improved radio frequency coaxial transmission line vacuum feedthrough is provided based on the use of a half-wavelength annular dielectric pressure barrier disk, or multiple disks comprising an effective half wavelength structure to eliminate reflection from the barrier surfaces. Gas-tight seals are formed about the outer and inner diameter surfaces of the barrier disk using a sealing technique which generates radial forces sufficient to form seals by forcing the conductor walls against the surfaces of the barrier disks in a manner which does not deform the radii of the inner and outer conductors, thereby preventing enhancement of the electric field at the barrier faces which limits the voltage and power handling capabilities of a feedthrough.

Radio frequency coaxial feedthrough

DOEpatents

Owens, Thomas L.

1989-01-17

An improved radio frequency coaxial transmission line vacuum feed-through provided based on the use of a half-wavelength annular dielectric pressure barrier disk, or multiple disks comprising an effective half wavelength structure to eliminate reflections from the barrier surfaces. Gas-tight seals are formed about the outer and inner diameter surfaces of the barrier disk using a sealing technique which generates radial forces sufficient to form seals by forcing the conductor walls against the surfaces of the barrier disks in a manner which does not deform the radii of the inner and outer conductors, thereby preventing enhancement of the electric field at the barrier faces which limits voltage and power handling capabilities of a feedthrough.

Special Technology Area Review on Vacuum Electronics Technology for RF Applications

DTIC Science & Technology

2000-12-12

systems. QUESTIONS TO BE ADDRESSED AT THE STAR: 1. What are the RF applications and systems that will benefit from advances in Vacuum Electronic...technologies? What are the status and prospects of early insertion efforts? What is the impact if technology efforts are successful? 2. What are the RF...technical barriers best addressed by Vacuum Electronic technologies? What are the technology advancement needs and opportunities? Can the barriers

Cyclic Fatigue Durability of Uncoated and EBC Coated 3D SiC/SiC Composites Under Thermal Gradient Conditions at 2700F in Air

NASA Technical Reports Server (NTRS)

Smith, Craig; Harder, Bryan; Zhu, Dongming; Bhatt, Ramakrishna; Kalluri, Sreeramesh

2017-01-01

Ceramic matrix composites (CMCs) such as SiCSiC are currently being designed and implemented in high temperature sections of aerospace turbine engines. Such components will be subject to through-thickness thermal gradients, which may affect the durability. In this study, SiCSiC CMCs with a hybrid chemical vapor infiltrated (CVI) and polymer infiltration and pyrolysis (PIP) matrix were loaded in tension while one surface was heated with a laser and the opposite surface was cooled. The samples were each coated with an environmental barrier coating (EBC), which was produced by electron beam physical deposition (EBPVD). Results for CMCs tested with and without the EBC be discussed.

Transmission electron microscopy of coatings formed by plasma electrolytic oxidation of titanium.

PubMed

Matykina, E; Arrabal, R; Skeldon, P; Thompson, G E

2009-05-01

Transmission electron microscopy and supporting film analyses are used to investigate the changes in composition, morphology and structure of coatings formed on titanium during DC plasma electrolytic oxidation in a calcium- and phosphorus-containing electrolyte. The coatings are of potential interest as bioactive surfaces. The initial barrier film, of mixed amorphous and nanocrystalline structure, formed below the sparking voltage of 180 V, incorporates small amounts of phosphorus and calcium species, with phosphorus confined to the outer approximately 63% of the coating thickness. On commencement of sparking, calcium- and phosphorus-rich amorphous material forms at the coating surface, with local heating promoting crystallization in underlying and adjacent anodic titania. The amorphous material thickens with increased treatment time, comprising almost the whole of the approximately 5.7-microm-thick coating formed at 340 V. At this stage, the coating is approximately 4.4 times thicker than the oxidized titanium, with a near-surface composition of about 12 at.% Ti, 58 at.% O, 19 at.% P and 11 at.% Ca. Further, the amount of titanium consumed in forming the coating is similar to that calculated from the anodizing charge, although there may be non-Faradaic contributions to the coating growth.

Vacuum barrier for excimer lasers

DOEpatents

Shurter, Roger P.

1992-01-01

A barrier for separating the vacuum area of a diode from the pressurized gas area of an excimer laser. The barrier is a composite material comprising layers of a metal such as copper, along with layers of polyimide, and a matrix of graphite fiber yarns impregnated with epoxy. The barrier is stronger than conventional foil barriers, and allows greater electron throughput.

Engineering of Porphyrin Molecules for Use as Effective Cathode Interfacial Modifiers in Organic Solar Cells of Enhanced Efficiency and Stability.

PubMed

Tountas, Marinos; Verykios, Apostolis; Polydorou, Ermioni; Kaltzoglou, Andreas; Soultati, Anastasia; Balis, Nikolaos; Angaridis, Panagiotis A; Papadakis, Michael; Nikolaou, Vasilis; Auras, Florian; Palilis, Leonidas C; Tsikritzis, Dimitris; Evangelou, Evangelos K; Gardelis, Spyros; Koutsoureli, Matroni; Papaioannou, George; Petsalakis, Ioannis D; Kennou, Stella; Davazoglou, Dimitris; Argitis, Panagiotis; Falaras, Polycarpos; Coutsolelos, Athanassios G; Vasilopoulou, Maria

2018-06-20

In the present work, we effectively modify the TiO 2 electron transport layer of organic solar cells with an inverted architecture using appropriately engineered porphyrin molecules. The results show that the optimized porphyrin modifier bearing two carboxylic acids as the anchoring groups and a triazine electron-withdrawing spacer significantly reduces the work function of TiO 2 , thereby reducing the electron extraction barrier. Moreover, the lower surface energy of the porphyrin-modified substrate results in better physical compatibility between the latter and the photoactive blend. Upon employing porphyrin-modified TiO 2 electron transport layers in PTB7:PC 71 BM-based organic solar cells we obtained an improved average power conversion efficiency up to 8.73%. Importantly, porphyrin modification significantly increased the lifetime of the devices, which retained 80% of their initial efficiency after 500 h of storage in the dark. Because of its simplicity and efficacy, this approach should give tantalizing glimpses and generate an impact into the potential of porphyrins to facilitate electron transfer in organic solar cells and related devices.

Functionalization of polymer surfaces by medium frequency non-thermal plasma

NASA Astrophysics Data System (ADS)

Felix, T.; Trigueiro, J. S.; Bundaleski, N.; Teodoro, O. M. N. D.; Sério, S.; Debacher, N. A.

2018-01-01

This work addresses the surface modification of different polymers by argon dielectric barrier discharge, using bromoform vapours. Atomic Force Microscopy and Scanning Electron Microscopy showed that plasma etching occurs in stages and may be related to the reach of the species generated and obviously the gap between the electrodes. In addition, the stages of flatten surface or homogeneity may be the result of the transient crosslinking promoted by the intense UV radiation generated by the non- thermal plasma. X-ray Photoelectron Spectroscopy analysis showed that bromine was inserted on the polymer surface as Csbnd Br bonds and as adsorbed HBr. The obtained results demonstrate that the highest degree of bromofunctionalization was achieved on polypropylene surface, which contains about 8,5% of Br. After its derivatization in ammonia, Br disappeared and about 6% of nitrogen in the form of amine group was incorporated at the surface. This result can be considered as a clear fingerprint of the Br substitution by the amine group, thus illustrating the efficiency of the proposed method for functionalization of polymer surfaces.

Complementary Barrier Infrared Detector (CBIRD) Contact Methods

NASA Technical Reports Server (NTRS)

Ting, David Z.; Hill, Cory J.; Gunapala, Sarath D.

2013-01-01

The performance of the CBIRD detector is enhanced by using new device contacting methods that have been developed. The detector structure features a narrow gap adsorber sandwiched between a pair of complementary, unipolar barriers that are, in turn, surrounded by contact layers. In this innovation, the contact adjacent to the hole barrier is doped n-type, while the contact adjacent to the electron barrier is doped p-type. The contact layers can have wider bandgaps than the adsorber layer, so long as good electrical contacts are made to them. If good electrical contacts are made to either (or both) of the barriers, then one could contact the barrier(s) directly, obviating the need for additional contact layers. Both the left and right contacts can be doped either n-type or ptype. Having an n-type contact layer next to the electron barrier creates a second p-n junction (the first being the one between the hole barrier and the adsorber) over which applied bias could drop. This reduces the voltage drop over the adsorber, thereby reducing dark current generation in the adsorber region.

Direct control and characterization of a Schottky barrier by scanning tunneling microscopy

NASA Technical Reports Server (NTRS)

Bell, L. D.; Kaiser, W. J.; Hecht, M. H.; Grunthaner, F. J.

1988-01-01

Scanning tunneling microscopy (STM) methods are used to directly control the barrier height of a metal tunnel tip-semiconductor tunnel junction. Barrier behavior is measured by tunnel current-voltage spectroscopy and compared to theory. A unique surface preparation method is used to prepare a low surface state density Si surface. Control of band bending with this method enables STM investigation of semiconductor subsurface properties.

Effect of a multi-layer infection control barrier on the micro-hardness of a composite resin

PubMed Central

HWANG, In-Nam; HONG, Sung-Ok; LEE, Bin-Na; HWANG, Yun-Chan; OH, Won-Mann; CHANG, Hoon-Sang

2012-01-01

Objective The aim of this study was to evaluate the effect of multiple layers of an infection control barrier on the micro-hardness of a composite resin. Material and Methods One, two, four, and eight layers of an infection control barrier were used to cover the light guides of a high-power light emitting diode (LED) light curing unit (LCU) and a low-power halogen LCU. The composite specimens were photopolymerized with the LCUs and the barriers, and the micro-hardness of the upper and lower surfaces was measured (n=10). The hardness ratio was calculated by dividing the bottom surface hardness of the experimental groups by the irradiated surface hardness of the control groups. The data was analyzed by two-way ANOVA and Tukey's HSD test. Results The micro-hardness of the composite specimens photopolymerized with the LED LCU decreased significantly in the four- and eight-layer groups of the upper surface and in the two-, four-, and eight-layer groups of the lower surface. The hardness ratio of the composite specimens was <80% in the eight-layer group. The micro-hardness of the composite specimens photopolymerized with the halogen LCU decreased significantly in the eight-layer group of the upper surface and in the two-, four-, and eight-layer groups of the lower surface. However, the hardness ratios of all the composite specimens photopolymerized with barriers were <80%. Conclusions The two-layer infection control barrier could be used on high-power LCUs without decreasing the surface hardness of the composite resin. However, when using an infection control barrier on the low-power LCUs, attention should be paid so as not to sacrifice the polymerization efficiency. PMID:23138746

A photoemission moments model using density functional and transfer matrix methods applied to coating layers on surfaces: Theory

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

Jensen, Kevin L.; Finkenstadt, Daniel; Shabaev, Andrew

Recent experimental measurements of a bulk material covered with a small number of graphene layers reported by Yamaguchi et al. [NPJ 2D Mater. Appl. 1, 12 (2017)] (on bialkali) and Liu et al.[Appl. Phys. Lett. 110, 041607 (2017)] (on copper) and the needs of emission models in beam optics codes have lead to substantial changes in a Moments model of photoemission. The changes account for (i) a barrier profile and density of states factor based on density functional theory (DFT) evaluations, (ii) a Drude-Lorentz model of the optical constants and laser penetration depth, and (iii) a transmission probability evaluated bymore » an Airy Transfer Matrix Approach. Importantly, the DFT results lead to a surface barrier profile of a shape similar to both resonant barriers and reflectionless wells: the associated quantum mechanical transmission probabilities are shown to be comparable to those recently required to enable the Moments (and Three Step) model to match experimental data but for reasons very different than the assumption by conventional wisdom that a barrier is responsible. The substantial modifications of the Moments model components, motivated by computational materials methods, are developed. The results prepare the Moments model for use in treating heterostructures and discrete energy level systems (e.g., quantum dots) proposed for decoupling the opposing metrics of performance that undermine the performance of advanced light sources like the x-ray Free Electron Laser. The consequences of the modified components on quan-tum yield, emittance, and emission models needed by beam optics codes are discussed. Published by AIP Publishing. https://doi.org/10.1063/1.5008600« less

A photoemission moments model using density functional and transfer matrix methods applied to coating layers on surfaces: Theory

DOE PAGES

Jensen, Kevin L.; Finkenstadt, Daniel; Shabaev, Andrew; ...

2018-01-28

Recent experimental measurements of a bulk material covered with a small number of graphene layers reported by Yamaguchi et al. [NPJ 2D Mater. Appl. 1, 12 (2017)] (on bialkali) and Liu et al.[Appl. Phys. Lett. 110, 041607 (2017)] (on copper) and the needs of emission models in beam optics codes have lead to substantial changes in a Moments model of photoemission. The changes account for (i) a barrier profile and density of states factor based on density functional theory (DFT) evaluations, (ii) a Drude-Lorentz model of the optical constants and laser penetration depth, and (iii) a transmission probability evaluated bymore » an Airy Transfer Matrix Approach. Importantly, the DFT results lead to a surface barrier profile of a shape similar to both resonant barriers and reflectionless wells: the associated quantum mechanical transmission probabilities are shown to be comparable to those recently required to enable the Moments (and Three Step) model to match experimental data but for reasons very different than the assumption by conventional wisdom that a barrier is responsible. The substantial modifications of the Moments model components, motivated by computational materials methods, are developed. The results prepare the Moments model for use in treating heterostructures and discrete energy level systems (e.g., quantum dots) proposed for decoupling the opposing metrics of performance that undermine the performance of advanced light sources like the x-ray Free Electron Laser. The consequences of the modified components on quan-tum yield, emittance, and emission models needed by beam optics codes are discussed. Published by AIP Publishing. https://doi.org/10.1063/1.5008600« less

Barrier layers against oxygen transmission on the basis of electron beam cured methacrylated gelatin

NASA Astrophysics Data System (ADS)

Scherzer, Tom

1997-08-01

The development of barrier layers against oxygen transmission on the basis of radiation-curable methacrylated gelatin will be reported. The electron beam cured gelatin coatings show an extremely low oxygen permeability and a high resistance against boiling water. Moreover, the methacrylated gelatins possess good adhesion characteristics. Therefore, they are suited as barrier adhesives in laminates for food packaging applications. If substrate foils from biodegradable polymers are used, the development of completely biodegradable packaging materials seems to be possible.

Transmittance and Tunneling Current through a Trapezoidal Barrier under Spin Polarization Consideration

NASA Astrophysics Data System (ADS)

Noor, F. A.; Nabila, E.; Mardianti, H.; Ariani, T. I.; Khairurrijal

2018-04-01

The transmittance and tunneling current in heterostructures under spin polarization consideration were studied by employing a zinc-blended structure for the heterostructures. An electron tunnels through a potential barrier by applying a bias voltage to the barrier, which is called the trapezoidal potential barrier. In order to study the transmittance, an Airy wave function approach was employed to find the transmittance. The obtained transmittance was then utilized to compute the tunneling current by using a Gauss quadrature method. It was shown that the transmittances were asymmetric with the incident angle of the electron. It was also shown that the tunneling currents increased as the bias voltage increased.

Noble magnetic barriers in the ASDEX UG tokamak

NASA Astrophysics Data System (ADS)

Ali, Halima; Punjabi, Alkesh; Vazquez, Justin

2010-02-01

The second-order perturbation method of creating invariant tori inside chaos in Hamiltonian systems (Ali, H.; Punjabi, A. Plasma Phys. Contr. F. 2007, 49, 1565-1582) is applied to the axially symmetric divertor experiment upgrade (ASDEX UG) tokamak to build noble irrational magnetic barriers inside chaos created by resonant magnetic perturbations (m, n)=(3, 2)+(4, 3), with m and n the poloidal and toroidal mode numbers of the Fourier expansion of the magnetic perturbation. The radial dependence of the Fourier modes is ignored. The modes are considered to be locked and have the same amplitude δ. A symplectic mathematical mapping in magnetic coordinates is used to integrate magnetic field line trajectories in the ASDEX UG. Tori with noble irrational rotational transform are the last ones to be destroyed by perturbation in Hamiltonian systems. For this reason, noble irrational magnetic barriers are built inside chaos, and the strongest noble irrational barrier is identified. Three candidate locations for the strongest noble barrier in ASDEX UG are selected. All three candidate locations are chosen to be roughly midway between the resonant rational surfaces ψ32 and ψ43. ψ is the magnetic coordinate of the flux surface. The three candidate surfaces are the noble irrational surfaces close to the surface with q value that is a mediant of q=3/2 and 4/3, q value of the physical midpoint of the two resonant surfaces, and the q value of the surface where the islands of the two perturbing modes just overlap. These q values of the candidate surfaces are denoted by q MED, q MID, and q OVERLAP. The strongest noble barrier close to q MED has the continued fraction representation (CFR) [1;2,2,1∞] and exists for δ≤2.6599×10-4; the strongest noble barrier close to q MID has CFR [1;2,2,2,1∞] and exists for δ≤4.6311×10-4; and the strongest noble barrier close to q OVERLAP has CFR [1;2,2,6,2,1∞] and exists for δ≤1.367770×10-4. From these results, the strongest noble barrier is found to be close to the surface that is located physically exactly in the middle of the two resonant surfaces.

Barriers to the success of an electronic pharmacovigilance reporting system in Kenya: an evaluation three years post implementation.

PubMed

Agoro, Oscar O; Kibira, Sarah W; Freeman, Jenny V; Fraser, Hamish S F

2018-06-01

Electronic pharmacovigilance reporting systems are being implemented in many developing countries in an effort to improve reporting rates. This study sought to establish the factors that acted as barriers to the success of an electronic pharmacovigilance reporting system in Kenya 3 years after its implementation. Factors that could act as barriers to using electronic reporting systems were identified in a review of literature and then used to develop a survey questionnaire that was administered to pharmacists working in government hospitals in 6 counties in Kenya. The survey was completed by 103 out of the 115 targeted pharmacists (89.5%) and included free-text comments. The key factors identified as barriers were: unavailable, unreliable, or expensive Internet access; challenges associated with a hybrid system of paper and electronic reporting tools; and system usability issues. Coordination challenges at the national pharmacovigilance center and changes in the structure of health management in the country also had an impact on the success of the electronic reporting system. Different personal, organizational, infrastructural, and reporting system factors affect the success of electronic reporting systems in different ways, depending on the context. Context-specific formative evaluations are useful in establishing the performance of electronic reporting systems to identify problems and ensure that they achieve the desired objectives. While several factors hindered the optimal use of the electronic pharmacovigilance reporting system in Kenya, all were considered modifiable. Effort should be directed toward tackling the identified issues in order to facilitate use and improve pharmacovigilance reporting rates.

Computational Study of Field Initiated Surface Reactions for Synthesis of Diamond and Silicon

NASA Technical Reports Server (NTRS)

Musgrave, Charles Bruce

1999-01-01

This project involves using quantum chemistry to simulate surface chemical reactions in the presence of an electric field for nanofabrication of diamond and silicon. A field delivered by a scanning tunneling microscope (STM) to a nanometer scale region of a surface affects chemical reaction potential energy surfaces (PES) to direct atomic scale surface modification to fabricate sub-nanometer structures. Our original hypothesis is that the applied voltage polarizes the charge distribution of the valence electrons and that these distorted molecular orbitals can be manipulated with the STM so as to change the relative stabilities of the electronic configurations over the reaction coordinates and thus the topology of the PES and reaction kinetics. Our objective is to investigate the effect of applied bias on surface reactions and the extent to which STM delivered fields can be used to direct surface chemical reactions on an atomic scale on diamond and silicon. To analyze the fundamentals of field induced chemistry and to investigate the application of this technique for the fabrication of nanostructures, we have employed methods capable of accurately describing molecular electronic structure. The methods we employ are density functional theory (DFT) quantum chemical (QC) methods. To determine the effect of applied bias on surface reactions we have calculated the QC PESs in various applied external fields for various reaction steps for depositing or etching diamond and silicon. We have chosen reactions which are thought to play a role in etching and the chemical vapor deposition growth of Si and diamond. The PESs of the elementary reaction steps involved are then calculated under the applied fields, which we vary in magnitude and configuration. We pay special attention to the change in the reaction barriers, and transition state locations, and search for low energy reaction channels which were inaccessible without the applied bias.

Spin injection and transport in semiconductor and metal nanostructures

NASA Astrophysics Data System (ADS)

Zhu, Lei

In this thesis we investigate spin injection and transport in semiconductor and metal nanostructures. To overcome the limitation imposed by the low efficiency of spin injection and extraction and strict requirements for retention of spin polarization within the semiconductor, novel device structures with additional logic functionality and optimized device performance have been developed. Weak localization/antilocalization measurements and analysis are used to assess the influence of surface treatments on elastic, inelastic and spin-orbit scatterings during the electron transport within the two-dimensional electron layer at the InAs surface. Furthermore, we have used spin-valve and scanned probe microscopy measurements to investigate the influence of sulfur-based surface treatments and electrically insulating barrier layers on spin injection into, and spin transport within, the two-dimensional electron layer at the surface of p-type InAs. We also demonstrate and analyze a three-terminal, all-electrical spintronic switching device, combining charge current cancellation by appropriate device biasing and ballistic electron transport. The device yields a robust, electrically amplified spin-dependent current signal despite modest efficiency in electrical injection of spin-polarized electrons. Detailed analyses provide insight into the advantages of ballistic, as opposed to diffusive, transport in device operation, as well as scalability to smaller dimensions, and allow us to eliminate the possibility of phenomena unrelated to spin transport contributing to the observed device functionality. The influence of the device geometry on magnetoresistance of nanoscale spin-valve structures is also demonstrated and discussed. Shortcomings of the simplified one-dimensional spin diffusion model for spin valve are elucidated, with comparison of the thickness and the spin diffusion length in the nonmagnetic channel as the criterion for validity of the 1D model. Our work contributes directly to the realization of spin valve and spin transistor devices based on III-V semiconductors, and offers new opportunities to engineer the behavior of spintronic devices at the nanoscale.

Numerical study of the characteristics of a dielectric barrier discharge plasma actuator

NASA Astrophysics Data System (ADS)

Shi, C. A.; Adamiak, K.; Castle, G. S. P.

2018-03-01

A dielectric barrier discharge actuator to control airflow along a flat dielectric plate has been numerically investigated in this paper. In order to avoid large computing times, streamers, Trichel pulses and the ionic reactions involving photons and electrons are neglected. The numerical model assumes two types of generic ions, one positive and one negative, whose drift in the electric field produces the electrohydrodynamic flow. This study provides detailed insights into the physical mechanisms of DBD that include the electric field, space charge transport, surface charge accumulation and air flow motion. The results show the V-I characteristics, velocity profiles and drag force estimates. In addition, the effects of the voltage level, frequency and inlet air velocity on the actuator performance are presented and interpreted. The simulation results show a good agreement with theoretical expectations and experimental data available in literature.

Lateral polarity control of III-nitride thin film and application in GaN Schottky barrier diode

NASA Astrophysics Data System (ADS)

Li, Junmei; Guo, Wei; Sheikhi, Moheb; Li, Hongwei; Bo, Baoxue; Ye, Jichun

2018-05-01

N-polar and III-polar GaN and AlN epitaxial thin films grown side by side on single sapphire substrate was reported. Surface morphology, wet etching susceptibility and bi-axial strain conditions were investigated and the polarity control scheme was utilized in the fabrication of Schottky barrier diode where ohmic contact and Schottky contact were deposited on N-polar domains and Ga-polar domains, respectively. The influence of N-polarity on on-state resistivity and I–V characteristic was discussed, demonstrating that lateral polarity structure of GaN and AlN can be widely used in new designs of optoelectronic and electronic devices. Project partially supported by the National Key Research and Development Program of China (No. 2016YFB0400802), the National Natural Science Foundation of China (No. 61704176), and the Open project of Zhejiang Key Laboratory for Advanced Microelectronic Intelligent Systems and Applications (No. ZJUAMIS1704).

Post-annealing-free, room temperature processed nanocrystalline indium tin oxide thin films for plastic electronics

NASA Astrophysics Data System (ADS)

Nyoung Jang, Jin; Jong Lee, You; Jang, YunSung; Yun, JangWon; Yi, Seungjun; Hong, MunPyo

2016-06-01

In this study, we confirm that bombardment by high energy negative oxygen ions (NOIs) is the key origin of electro-optical property degradations in indium tin oxide (ITO) thin films formed by conventional plasma sputtering processes. To minimize the bombardment effect of NOIs, which are generated on the surface of the ITO targets and accelerated by the cathode sheath potential on the magnetron sputter gun (MSG), we introduce a magnetic field shielded sputtering (MFSS) system composed of a permanent magnetic array between the MSG and the substrate holder to block the arrival of energetic NOIs. The MFSS processed ITO thin films reveal a novel nanocrystal imbedded polymorphous structure, and present not only superior electro-optical characteristics but also higher gas diffusion barrier properties. To the best of our knowledge, no gas diffusion barrier composed of a single inorganic thin film formed by conventional plasma sputtering processes achieves such a low moisture permeability.

Metastability of isoformyl ions in collisions with helium and hydrogen. [in interstellar molecular clouds

NASA Technical Reports Server (NTRS)

Green, S.

1984-01-01

The stability of HOC(+) ions under conditions in interstellar molecular clouds is considered. In particular, the possibility that collisions with helium or hydrogen will induce isomerization to the stable HCO(+) form is examined theoretically. Portions of the electronic potential energy surfaces for interaction with He and H atoms are obtained from standard quantum mechanical calculations. Collisions with He atoms are found to be totally ineffective for inducing isomerization. Collisions with H atoms are found to be ineffective at low interstellar temperatures owing to a small (about 500 K) barrier in the entrance channel; at higher temperatures where this barrier can be overcome, however, collisions with hydrogen atoms do result in conversion to the stable HCO(+) form. Although detailed calculations are not presented, it is argued that low-energy collisions with H2 molecules are also ineffective in destroying the metastable ion.

Accelerating oxygen reduction on Pt monolayer via substrate compression

NASA Astrophysics Data System (ADS)

Zhang, Xilin; Chen, Yue; Yang, Zongxian; Lu, Zhansheng

2017-11-01

Many methods have been proposed to accelerate the oxygen reduction and save the dosage of Pt. Here, we report a promising way in fulfilling these purposes by applying substrate strain on the supported Pt monolayer. The compressive strain would modify the geometric and electronic structures of tungsten carbide (WC) substrate, changing the interaction nature between substrate and Pt monolayer and resulting in a downward shift of the d-band center of surface Pt atoms. The activity of Pt monolayer on the compressed WC is further evaluated from the kinetics of the dissociation and protonation of O2. The dissociation barrier of O2 is increased and the hydrogenation barrier of O atom is decreased, indicating that the recovery of the catalytically active sites is accelerated and the deactivation by oxygen poison is alleviated. The present study provides an effective way in tuning the activity of Pt-based catalysts by applying the substrate strain.

Effect of self-assembled InAs islands on the interfacial roughness of optical-switched resonant tunneling diode

PubMed Central

2012-01-01

Embedding a quantum dot [QD] layer between the double barriers of resonant tunneling diode [RTD] is proved to be an effective method to increase the sensitivity of QD-RTD single-photon detector. However, the interfacial flatness of this device would be worsened due to the introduction of quantum dots. In this paper, we demonstrate that the interfacial quality of this device can be optimized through increasing the growth temperature of AlAs up barrier. The glancing incidence X-ray reflectivity and the high-resolution transmission electron microscopy measurements show that the interfacial smoothness has been greatly improved, and the photo-luminescence test indicated that the InAs QDs were maintained at the same time. The smoother interface was attributed to the evaporation of segregated indium atoms at InGaAs surface layer. PACS 73.40.GK, 73.23._b, 73.21.La, 74.62.Dh PMID:22333518

Effect of self-assembled InAs islands on the interfacial roughness of optical-switched resonant tunneling diode.

PubMed

Tian, Haitao; Wang, Lu; Shi, Zhenwu; Gao, Huaiju; Zhang, Shuhui; Wang, Wenxin; Chen, Hong

2012-02-14

Embedding a quantum dot [QD] layer between the double barriers of resonant tunneling diode [RTD] is proved to be an effective method to increase the sensitivity of QD-RTD single-photon detector. However, the interfacial flatness of this device would be worsened due to the introduction of quantum dots. In this paper, we demonstrate that the interfacial quality of this device can be optimized through increasing the growth temperature of AlAs up barrier. The glancing incidence X-ray reflectivity and the high-resolution transmission electron microscopy measurements show that the interfacial smoothness has been greatly improved, and the photo-luminescence test indicated that the InAs QDs were maintained at the same time. The smoother interface was attributed to the evaporation of segregated indium atoms at InGaAs surface layer. PACS: 73.40.GK, 73.23._b, 73.21.La, 74.62.Dh.

Numerical simulations of gas mixing effect in electron cyclotron resonance ion sources

NASA Astrophysics Data System (ADS)

Mironov, V.; Bogomolov, S.; Bondarchenko, A.; Efremov, A.; Loginov, V.

2017-01-01

The particle-in-cell Monte Carlo collisions code nam-ecris is used to simulate the electron cyclotron resonance ion source (ECRIS) plasma sustained in a mixture of Kr with O2 , N2 , Ar, Ne, and He. The model assumes that ions are electrostatically confined in the ECR zone by a dip in the plasma potential. A gain in the extracted krypton ion currents is seen for the highest charge states; the gain is maximized when oxygen is used as a mixing gas. The special feature of oxygen is that most of the singly charged oxygen ions are produced after the dissociative ionization of oxygen molecules with a large kinetic energy release of around 5 eV per ion. The increased loss rate of energetic lowly charged ions of the mixing element requires a building up of the retarding potential barrier close to the ECR surface to equilibrate electron and ion losses out of the plasma. In the mixed plasmas, the barrier value is large (˜1 V ) compared to pure Kr plasma (˜0.01 V ), with longer confinement times of krypton ions and with much higher ion temperatures. The temperature of the krypton ions is increased because of extra heating by the energetic oxygen ions and a longer time of ion confinement. In calculations, a drop of the highly charged ion currents of lighter elements is observed when adding small fluxes of krypton into the source. This drop is caused by the accumulation of the krypton ions inside plasma, which decreases the electron and ion confinement times.

Superpoissonian shot noise in organic magnetic tunnel junctions

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

Cascales, Juan Pedro; Martinez, Isidoro; Aliev, Farkhad G., E-mail: farkhad.aliev@uam.es

Organic molecules have recently revolutionized ways to create new spintronic devices. Despite intense studies, the statistics of tunneling electrons through organic barriers remains unclear. Here, we investigate conductance and shot noise in magnetic tunnel junctions with 3,4,9,10-perylene-teracarboxylic dianhydride (PTCDA) barriers a few nm thick. For junctions in the electron tunneling regime, with magnetoresistance ratios between 10% and 40%, we observe superpoissonian shot noise. The Fano factor exceeds in 1.5–2 times the maximum values reported for magnetic tunnel junctions with inorganic barriers, indicating spin dependent bunching in tunneling. We explain our main findings in terms of a model which includes tunnelingmore » through a two level (or multilevel) system, originated from interfacial bonds of the PTCDA molecules. Our results suggest that interfaces play an important role in the control of shot noise when electrons tunnel through organic barriers.« 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.

Energetics and kinetics of primary charge separation in bacterial photosynthesis.

PubMed

LeBard, David N; Kapko, Vitaliy; Matyushov, Dmitry V

2008-08-21

We report the results of molecular dynamics (MD) simulations and formal modeling of the free-energy surfaces and reaction rates of primary charge separation in the reaction center of Rhodobacter sphaeroides. Two simulation protocols were used to produce MD trajectories. Standard force-field potentials were employed in the first protocol. In the second protocol, the special pair was made polarizable to reproduce a high polarizability of its photoexcited state observed by Stark spectroscopy. The charge distribution between covalent and charge-transfer states of the special pair was dynamically adjusted during the simulation run. We found from both protocols that the breadth of electrostatic fluctuations of the protein/water environment far exceeds previous estimates, resulting in about 1.6 eV reorganization energy of electron transfer in the first protocol and 2.5 eV in the second protocol. Most of these electrostatic fluctuations become dynamically frozen on the time scale of primary charge separation, resulting in much smaller solvation contributions to the activation barrier. While water dominates solvation thermodynamics on long observation times, protein emerges as the major thermal bath coupled to electron transfer on the picosecond time of the reaction. Marcus parabolas were obtained for the free-energy surfaces of electron transfer by using the first protocol, while a highly asymmetric surface was obtained in the second protocol. A nonergodic formulation of the diffusion-reaction electron-transfer kinetics has allowed us to reproduce the experimental results for both the temperature dependence of the rate and the nonexponential decay of the population of the photoexcited special pair.

In situ transmission electron microscopy of cadmium selenide nanorod sublimation

DOE PAGES

Hellebusch, Daniel J.; Manthiram, Karthish; Beberwyck, Brandon J.; ...

2015-01-23

In situ electron microscopy is used to observe the morphological evolution of cadmium selenide nanorods as they sublime under vacuum at a series of elevated temperatures. Mass loss occurs anisotropically along the nanorod’s long axis. At temperatures close to the sublimation threshold, the phase change occurs from both tips of the nanorods and proceeds unevenly with periods of rapid mass loss punctuated by periods of relative stability. At higher temperatures, the nanorods sublime at a faster, more uniform rate, but mass loss occurs from only a single end of the rod. Furthermore, we propose a mechanism that accounts for themore » observed sublimation behavior based on the terrace–ledge–kink (TLK) model and how the nanorod surface chemical environment influences the kinetic barrier of sublimation.« less

Perpendicular State of an Electronically Excited Stilbene: Observation by Femtosecond-Stimulated Raman Spectroscopy.

PubMed

Quick, Martin; Dobryakov, Alexander L; Ioffe, Ilya N; Granovsky, Alex A; Kovalenko, Sergey A; Ernsting, Nikolaus P

2016-10-20

In the photoisomerization path of stilbene, a perpendicular state P on the S 1 potential energy surface is expected just before internal conversion through a conical intersection S 1 /S 0 . For decades the observation of P was thwarted by a short lifetime τ P in combination with slow population flow over a barrier. But these limitations can be overcome by ethylenic substitution. Following optical excitation of trans-1,1'-dicyanostilbene, P is populated significantly (τ P = 27 ps in n-hexane) and monitored by an exited-state absorption band at 370 nm. Here we report stimulated Raman lines of P. The strongest, at 1558 cm -1 , is attributed to stretching vibrations of the phenyl rings. Transient electronic states, resonance conditions, and corresponding Raman signals are discussed.

Microstructure evolution and tribological properties of acrylonitrile-butadiene rubber surface modified by atmospheric plasma treatment

NASA Astrophysics Data System (ADS)

Shen, Ming-xue; Zhang, Zhao-xiang; Peng, Xu-dong; Lin, Xiu-zhou

2017-09-01

For the purpose of prolonging the service life for rubber sealing elements, the frictional behavior of acrylonitrile-butadiene rubber (NBR) surface by dielectric barrier discharge plasma treatments was investigated in this paper. Surface microstructure and chemical composition were measured by atomic force microscopy, field-emission scanning electron microscopy, and X-ray photoelectron spectroscopy, respectively. Water contact angles of the modified rubber surface were also measured to evaluate the correlation between surface wettability and tribological properties. The results show that plasma treatments can improve the properties of the NBR against friction and wear effectively, the surface microstructure and roughness of plasma-modified NBR surface had an important influence on the surface tribological behavior, and the wear depth first decreased and then increased along with the change of plasma treatment time. It was found that the wettability of the modified surface was gradually improved, which was mainly due to the change of the chemical composition after the treatment. This study suggests that the plasma treatment could effectively improve the tribological properties of the NBR surface, and also provides information for developing wear-resistant NBR for industrial applications.

Effect of solute atoms on dislocation motion in Mg: An electronic structure perspective

PubMed Central

Tsuru, T.; Chrzan, D. C.

2015-01-01

Solution strengthening is a well-known approach to tailoring the mechanical properties of structural alloys. Ultimately, the properties of the dislocation/solute interaction are rooted in the electronic structure of the alloy. Accordingly, we compute the electronic structure associated with, and the energy barriers to dislocation cross-slip. The energy barriers so obtained can be used in the development of multiscale models for dislocation mediated plasticity. The computed electronic structure can be used to identify substitutional solutes likely to interact strongly with the dislocation. Using the example of a-type screw dislocations in Mg, we compute accurately the Peierls barrier to prismatic plane slip and argue that Y, Ca, Ti, and Zr should interact strongly with the studied dislocation, and thereby decrease the dislocation slip anisotropy in the alloy. PMID:25740411

Giant oscillations of the current in a dirty 2D electron system flowing perpendicular to a lateral barrier under magnetic field

NASA Astrophysics Data System (ADS)

Kadigrobov, A. M.

2017-08-01

The charge transport in a dirty 2-dimensional electron system biased in the presence of a lateral potential barrier under magnetic field is theoretically studied. The quantum tunnelling across the barrier provides the quantum interference of the edge states localized on its both sides that results in giant oscillations of the charge current flowing perpendicular to the lateral junction. Our theoretical analysis is in a good agreement with the experimental observations presented in Kang et al. [Lett. Nat. 403, 59 (2000)]. In particular, positions of the conductance maxima coincide with the Landau levels while the conductance itself is essentially suppressed even at the energies at which the resonant tunnelling occurs and hence these puzzling observations can be resolved without taking into account the electron-electron interaction.

Vacuum barrier for excimer lasers

DOEpatents

Shurter, R.P.

1992-09-15

A barrier for separating the vacuum area of a diode from the pressurized gas area of an excimer laser. The barrier is a composite material comprising layers of a metal such as copper, along with layers of polyimide, and a matrix of graphite fiber yarns impregnated with epoxy. The barrier is stronger than conventional foil barriers, and allows greater electron throughput. 3 figs.

Surface tailoring of newly developed amorphous Znsbnd Sisbnd O thin films as electron injection/transport layer by plasma treatment: Application to inverted OLEDs and hybrid solar cells

NASA Astrophysics Data System (ADS)

Yang, Hongsheng; Kim, Junghwan; Yamamoto, Koji; Xing, Xing; Hosono, Hideo

2018-03-01

We report a unique amorphous oxide semiconductor Znsbnd Sisbnd O (a-ZSO) which has a small work function of 3.4 eV for as-deposited films. The surface modification of a-ZSO thin films by plasma treatments is examined to apply it to the electron injection/transport layer of organic devices. It turns out that the energy alignment and exciton dissociation efficiency at a-ZSO/organic semiconductor interface significantly changes by choosing different gas (oxygen or argon) for plasma treatments (after a-ZSO was exposed to atmospheric environment for 5 days). In situ ultraviolet photoelectron spectroscopy (UPS) measurement reveals that the work function of a-ZSO is increased to 4.0 eV after an O2-plasma treatment, while the work function of 3.5 eV is recovered after an Ar-plasma treatment which indicates this treatment is effective for surface cleaning. To study the effects of surface treatments to device performance, OLEDs and hybrid polymer solar cells with O2-plasma or Ar-plasma treated a-ZSO are compared. Effects of these surface treatments on performance of inverted OLEDs and hybrid polymer solar cells are examined. Ar-plasma treated a-ZSO works well as the electron injection layer in inverted OLEDs (Alq3/a-ZSO) because the injection barrier is small (∼ 0.1 eV). On the other hands, O2-plasma treated a-ZSO is more suitable for application to hybrid solar cells which is benefiting from higher exciton dissociation efficiency at polymer (P3HT)/ZSO interface.

Gyrokinetic Studies of Turbulence Reduction with Reverse Shear ETG Transport Barriers or Lithium Walls

NASA Astrophysics Data System (ADS)

Hammett, G. W.; Peterson, J. L.; Granstedt, E. M.; Bell, R.; Guttenfelder, W.; Kaye, S.; Leblanc, B.; Mikkelsen, D. R.; Smith, D. R.; Yuh, H. Y.; Candy, J.

2012-03-01

The National Spherical Torus Experiment (NSTX) can achieve high electron confinement regimes that are super-critically unstable to the electron temperature gradient (ETG) instability. These electron internal transport barriers (e-ITBs) occur when the magnetic shear becomes strongly negative. Using the gyrokinetic code GYRO, the first nonlinear ETG simulations of NSTX e-ITB plasmas demonstrate reduced turbulence consistent with this observation. This is qualitatively consistent with a secondary instability picture of reduced ETG turbulence at negative shear (Jenko and Dorland PRL 2002). Local simulations identify a strongly upshifted nonlinear critical gradient for thermal transport that depends on magnetic shear. Global simulations show that ETG-driven turbulence outside of the barrier is large enough to be experimentally relevant, but cannot propagate very far into the barrier. We also use GYRO to study turbulence in regimes that might be expected in the Lithium Torus eXperiment (LTX). While lithium has experimentally been shown to raise the edge temperature and improve performance, there can still be some turbulence from density-gradient-driven trapped electron modes, and a temperature pinch is found in some cases. (Supported by DOE.)

Dynamics of tunneling ionization using Bohmian mechanics

NASA Astrophysics Data System (ADS)

Douguet, Nicolas; Bartschat, Klaus

2018-01-01

Recent attoclock experiments and theoretical studies regarding the strong-field ionization of atoms by few-cycle infrared pulses revealed features that have attracted much attention. Here we investigate tunneling ionization and the dynamics of the electron probability using Bohmian mechanics. We consider a one-dimensional problem to illustrate the underlying mechanisms of the ionization process. It is revealed that in the major part of the below-the-barrier ionization regime, in an intense and short infrared pulse, the electron does not tunnel through the entire barrier, but rather starts already from the classically forbidden region. Moreover, we highlight the correspondence between the probability of locating the electron at a particular initial position and its asymptotic momentum. Bohmian mechanics also provides a natural definition of mean tunneling time and exit position, taking account of the time dependence of the barrier. Finally, we find that the electron can exit the barrier with significant kinetic energy, thereby corroborating the results of a recent study [N. Camus et al., Phys. Rev. Lett. 119, 023201 (2017), 10.1103/PhysRevLett.119.023201].

Outer brain barriers in rat and human development

PubMed Central

Brøchner, Christian B.; Holst, Camilla B.; Møllgård, Kjeld

2015-01-01

Complex barriers at the brain's surface, particularly in development, are poorly defined. In the adult, arachnoid blood-cerebrospinal fluid (CSF) barrier separates the fenestrated dural vessels from the CSF by means of a cell layer joined by tight junctions. Outer CSF-brain barrier provides diffusion restriction between brain and subarachnoid CSF through an initial radial glial end feet layer covered with a pial surface layer. To further characterize these interfaces we examined embryonic rat brains from E10 to P0 and forebrains from human embryos and fetuses (6–21st weeks post-conception) and adults using immunohistochemistry and confocal microscopy. Antibodies against claudin-11, BLBP, collagen 1, SSEA-4, MAP2, YKL-40, and its receptor IL-13Rα2 and EAAT1 were used to describe morphological characteristics and functional aspects of the outer brain barriers. Claudin-11 was a reliable marker of the arachnoid blood-CSF barrier. Collagen 1 delineated the subarachnoid space and stained pial surface layer. BLBP defined radial glial end feet layer and SSEA-4 and YKL-40 were present in both leptomeningeal cells and end feet layer, which transformed into glial limitans. IL-13Rα2 and EAAT1 were present in the end feet layer illustrating transporter/receptor presence in the outer CSF-brain barrier. MAP2 immunostaining in adult brain outlined the lower border of glia limitans; remnants of end feet were YKL-40 positive in some areas. We propose that outer brain barriers are composed of at least 3 interfaces: blood-CSF barrier across arachnoid barrier cell layer, blood-CSF barrier across pial microvessels, and outer CSF-brain barrier comprising glial end feet layer/pial surface layer. PMID:25852456

Outer brain barriers in rat and human development.

PubMed

Brøchner, Christian B; Holst, Camilla B; Møllgård, Kjeld

2015-01-01

Complex barriers at the brain's surface, particularly in development, are poorly defined. In the adult, arachnoid blood-cerebrospinal fluid (CSF) barrier separates the fenestrated dural vessels from the CSF by means of a cell layer joined by tight junctions. Outer CSF-brain barrier provides diffusion restriction between brain and subarachnoid CSF through an initial radial glial end feet layer covered with a pial surface layer. To further characterize these interfaces we examined embryonic rat brains from E10 to P0 and forebrains from human embryos and fetuses (6-21st weeks post-conception) and adults using immunohistochemistry and confocal microscopy. Antibodies against claudin-11, BLBP, collagen 1, SSEA-4, MAP2, YKL-40, and its receptor IL-13Rα2 and EAAT1 were used to describe morphological characteristics and functional aspects of the outer brain barriers. Claudin-11 was a reliable marker of the arachnoid blood-CSF barrier. Collagen 1 delineated the subarachnoid space and stained pial surface layer. BLBP defined radial glial end feet layer and SSEA-4 and YKL-40 were present in both leptomeningeal cells and end feet layer, which transformed into glial limitans. IL-13Rα2 and EAAT1 were present in the end feet layer illustrating transporter/receptor presence in the outer CSF-brain barrier. MAP2 immunostaining in adult brain outlined the lower border of glia limitans; remnants of end feet were YKL-40 positive in some areas. We propose that outer brain barriers are composed of at least 3 interfaces: blood-CSF barrier across arachnoid barrier cell layer, blood-CSF barrier across pial microvessels, and outer CSF-brain barrier comprising glial end feet layer/pial surface layer.

Edge enhanced growth induced shape transition in the formation of GaN nanowall network

NASA Astrophysics Data System (ADS)

Nayak, Sanjay; Kumar, Rajendra; Shivaprasad, S. M.

2018-01-01

We address the mechanism of early stages of growth and shape transition of the unique nanowall network (NwN) of GaN by experimentally monitoring its morphological evolution and complementing it by first-principles calculations. Using atomic force and scanning electron microscopy, we observe the formation of oval shaped islands at very early stages of the growth which later transformed into tetrahedron shaped (3 faced pyramid) islands. These tetrahedron shaped islands further grow anisotropically along their edges of the (20 2 ¯ 1) facets to form the wall-like structure as the growth proceeds. The mechanism of this crystal growth is discussed in light of surface free energies of the different surfaces, adsorption energy, and diffusion barrier of Ga ad-atoms on the (20 2 ¯ 1) facets. By first-principles calculations, we find that the diffusion barrier of ad-atoms reduces with decreasing width of facets and is responsible for the anisotropic growth leading to the formation of NwN. This study suggests that formation of NwN is an archetype example of structure dependent attachment kinetic instability induced shape transition in thin film growth.

Improved Thermal Cycling Durability of Thermal Barrier Coatings Manufactured by PS-PVD

NASA Astrophysics Data System (ADS)

Rezanka, S.; Mauer, G.; Vaßen, R.

2014-01-01

The plasma spray-physical vapor deposition (PS-PVD) process is a promising method to manufacture thermal barrier coatings (TBCs). It fills the gap between traditional thermal spray processes and electron beam physical vapor deposition (EB-PVD). The durability of PS-PVD manufactured columnar TBCs is strongly influenced by the compatibility of the metallic bondcoat (BC) and the ceramic TBC. Earlier investigations have shown that a smooth BC surface is beneficial for the durability during thermal cycling. Further improvements of the bonding between BC and TBC could be achieved by optimizing the formation of the thermally grown oxide (TGO) layer. In the present study, the parameters of pre-heating and deposition of the first coating layer were investigated in order to adjust the growth of the TGO. Finally, the durability of the PS-PVD coatings was improved while the main advantage of PS-PVD, i.e., much higher deposition rate in comparison to EB-PVD, could be maintained. For such coatings, improved thermal cycling lifetimes more than two times higher than conventionally sprayed TBCs, were measured in burner rigs at ~1250 °C/1050 °C surface/substrate exposure temperatures.

The effects of high-energy uranium ion irradiation on Au/n-GaN Schottky diodes

NASA Astrophysics Data System (ADS)

Gou, J.; Zhang, C. H.; Zhang, L. Q.; Song, Y.; Wang, L. X.; Li, J. J.; Meng, Y. C.; Li, H. X.; Yang, Y. T.; Lu, Z. W.

2014-11-01

The I-V and C-V characteristics of Au/n-GaN Schottky diodes irradiated with 290-MeV 238U32+ ions are presented. The U ions can penetrate the n-type GaN epi-layer with a thickness about 3 μm grown on the c-plane of a sapphire substrate using the MOCVD technique, leaving a purely electronic energy deposition. The Au/n-GaN Schottky diodes were irradiated to successively increasing fluences from 1 × 109 to 5 × 1011 ions cm-2. The measured I-V curves show that the height of the Schottky barrier decreases after irradiation and that the Schottky barrier almost disappears when the ion fluence reaches 5 × 1010 ions cm-2. Meanwhile, the irradiation increases the series resistance. The C-V curves show that the capacitance drops sharply when the ion fluence reaches 5 × 1010 ions cm-2. The dielectric constant also decreases following the irradiation. The changes of the electrical properties are ascribed to the neutralization of the donor-like surface state and the acceptor-like surface state due to the migration of Au atoms at the interface of Au/n-GaN under energetic U ions irradiations.

The Impenetrable Barrier Revisited - Anthroprogenic Effects on Earth's Radiation Belts

NASA Astrophysics Data System (ADS)

Foster, J. C.; Baker, D. N.; Erickson, P. J.; Albert, J.; Fennell, J. F.; Mishin, E. V.; Starks, M. J.; Jaynes, A. N.; Li, X.; Kanekal, S. G.; Kletzing, C.

2015-12-01

The Van Allen Probes are contributing significantly to the understanding of processes effecting Earth's radiation belts. It has been noted that the earthward extent of the outer zone highly-relativistic electrons encounters a nearly impenetrable barrier at a radial distance (L) near 2.8 RE inside of which they are not observed. Modeling suggests that this is the result of a balance between slow inward diffusion and hiss-induced precipitation. The large storm of 17 March 2015 afforded an excellent opportunity to investigate the impenetrable barrier using the full complement of sensors carried by the Van Allen Probes. The storm was marked by the rapid reappearance of strong fluxes of MeV electrons directly outside the barrier with the formation of very steep MeV flux gradients. In spite of the strong rapid recovery of MeV electron fluxes immediately outside the barrier, the sharpness and constancy of the gradient at the barrier is strongly suggestive of a previously unrecognized fast-acting and spatially localized mechanism responsible for the formation of such a well-defined feature during these dramatic circumstances. The Van Allen Probes regularly observe a magnetically confined bubble of VLF emissions of terrestrial origin filling the inner magnetosphere. Strongest signals are from US Navy VLF transmitters used for one-way communication to submarines. These signals largely are confined to the region of L space where their frequency is < ½ fce. The strong signal from station NAA at 24 kHz is confined to L < 2.8 where it encounters the ½ fce limit. During the event, the flux of MeV electrons decreased by 1000x across 0.5 RE outside L = 2.8 simultaneous with a 6 order of magnitude increase in the VLF wave intensity as the Probes entered the VLF bubble. The VLF transmitter frequencies are amplified at the point where they overlap natural chorus band near ½ fce suggestive of transmitter-induced triggered emissions. MeV radiation belt electrons encounter this greatly increased 25 kHz wave power of anthropogenic origin nearly continuously at the location of impenetrable barrier. We suggest that interactions of these amplified transmitter signals with the MeV electrons accelerate their scattering into the drift loss cone such that an impenetrable barrier to further inward penetration is created.

Decomposition of energetic molecules by interfacing with a catalytic oxide: opportunities and challenges

NASA Astrophysics Data System (ADS)

Wang, Fenggong; Tsyshevsky, Roman; Zverev, Anton; Mitrofanov, Anatoly; Kuklja, Maija

Organic-inorganic interfaces provide both intrigues and opportunities for designing systems that possess properties and functionalities inaccessible by each individual component. In particular, mixing with a photocatalyst may significantly affect the adsorption, decomposition, and photoresponse of organic molecules. Here, we choose the formulation of TiO2 and trinitrotoluene (TNT), a highly catalytic oxide and a prominent explosive, as a prototypical example to explore the interaction at the interface on the photosensitivity of energetic materials. We show that, whether or not a catalytic oxide additive can help molecular decompositions under light illumination depends largely on the band alignment between the oxide surface and the energetic molecule. Furthermore, an oxygen vacancy can lead to the electron density transfer from the surface to the energetic molecules, causing an enhancement of the bonding between molecules and surface and a reduction of the molecular decomposition activation barriers.

Wear and Reactivity Studies of Melt infiltrated Ceramic Matrix Composite

NASA Technical Reports Server (NTRS)

Jarmon, David C.; Ojard, Greg; Brewer, David N.

2013-01-01

As interest grows in the use of ceramic matrix composites (CMCs) for critical gas turbine engine components, the effects of the CMCs interaction with the adjoining structure needs to be understood. A series of CMC/material couples were wear tested in a custom elevated temperature test rig and tested as diffusion couples, to identify interactions. Specifically, melt infiltrated silicon carbide/silicon carbide (MI SiC/SiC) CMC was tested in combination with a nickel-based super alloy, Waspaloy, a thermal barrier coating, Yttria Stabilized Zirconia (YSZ), and a monolithic ceramic, silicon nitride (Si3N4). To make the tests more representative of actual hardware, the surface of the CMC was kept in the as-received state (not machined) with the full surface features/roughness present. Test results include: scanning electron microscope characterization of the surfaces, micro-structural characterization, and microprobe analysis.

Controllable conversion of quasi-freestanding polymer chains to graphene nanoribbons

NASA Astrophysics Data System (ADS)

Ma, Chuanxu; Xiao, Zhongcan; Zhang, Honghai; Liang, Liangbo; Huang, Jingsong; Lu, Wenchang; Sumpter, Bobby G.; Hong, Kunlun; Bernholc, J.; Li, An-Ping

2017-03-01

In the bottom-up synthesis of graphene nanoribbons (GNRs) from self-assembled linear polymer intermediates, surface-assisted cyclodehydrogenations usually take place on catalytic metal surfaces. Here we demonstrate the formation of GNRs from quasi-freestanding polymers assisted by hole injections from a scanning tunnelling microscope (STM) tip. While catalytic cyclodehydrogenations typically occur in a domino-like conversion process during the thermal annealing, the hole-injection-assisted reactions happen at selective molecular sites controlled by the STM tip. The charge injections lower the cyclodehydrogenation barrier in the catalyst-free formation of graphitic lattices, and the orbital symmetry conservation rules favour hole rather than electron injections for the GNR formation. The created polymer-GNR intraribbon heterostructures have a type-I energy level alignment and strongly localized interfacial states. This finding points to a new route towards controllable synthesis of freestanding graphitic layers, facilitating the design of on-surface reactions for GNR-based structures.

Homoepitaxial graphene tunnel barriers for spin transport

NASA Astrophysics Data System (ADS)

Friedman, Adam L.; van't Erve, Olaf M. J.; Robinson, Jeremy T.; Whitener, Keith E.; Jonker, Berend T.

2016-05-01

Tunnel barriers are key elements for both charge-and spin-based electronics, offering devices with reduced power consumption and new paradigms for information processing. Such devices require mating dissimilar materials, raising issues of heteroepitaxy, interface stability, and electronic states that severely complicate fabrication and compromise performance. Graphene is the perfect tunnel barrier. It is an insulator out-of-plane, possesses a defect-free, linear habit, and is impervious to interdiffusion. Nonetheless, true tunneling between two stacked graphene layers is not possible in environmental conditions usable for electronics applications. However, two stacked graphene layers can be decoupled using chemical functionalization. Here, we demonstrate that hydrogenation or fluorination of graphene can be used to create a tunnel barrier. We demonstrate successful tunneling by measuring non-linear IV curves and a weakly temperature dependent zero-bias resistance. We demonstrate lateral transport of spin currents in non-local spin-valve structures, and determine spin lifetimes with the non-local Hanle effect. We compare the results for hydrogenated and fluorinated tunnel and we discuss the possibility that ferromagnetic moments in the hydrogenated graphene tunnel barrier affect the spin transport of our devices.

Plasma Surface Modification of Polymer Backsheets: Origins of Future Interfacial Barrier/Backsheet Failure (Poster)

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

Pankow, J. W.; Glick, S. H.

2006-05-01

Flexible polymer substrates coated with inorganic oxide moisture barriers are a potential replacement for glass backsheets in thin-film PV (photovoltaic) modules. Silicon oxynitride (SiO{sub x}N{sub y}) deposited by plasma enhanced chemical vapor deposition (PECVD) on polyethylene terephthalate (PET) represents one potential new backsheet candidate. Barrier deposition runs at NREL have included a nitrogen-rich plasma pretreatment prior to barrier deposition with the intention of cleaning the PET surface and enhancing adhesion of the SiO{sub x}N{sub y} barrier film to PET; however, test coupons of PET/barrier/EVA/TPE failed after damp-heat exposure. (EVA is ethylene vinyl acetate and TPE is Tedlar{reg_sign}-PET-EVA). PET substrates exposedmore » to plasma conditions similar to those used in pretreatment were examined by X-ray photoelectron spectroscopy (XPS) to reveal that new low molecular weight PET fragments were created at the PET surface. These fragments are responsible for barrier/PET interfacial failure and barrier transfer to the EVA encapsulant side following damp heat exposure.« less

Homoepitaxial graphene tunnel barriers for spin transport

NASA Astrophysics Data System (ADS)

Friedman, Adam

Tunnel barriers are key elements for both charge-and spin-based electronics, offering devices with reduced power consumption and new paradigms for information processing. Such devices require mating dissimilar materials, raising issues of heteroepitaxy, interface stability, and electronic states that severely complicate fabrication and compromise performance. Graphene is the perfect tunnel barrier. It is an insulator out-of-plane, possesses a defect-free, linear habit, and is impervious to interdiffusion. Nonetheless, true tunneling between two stacked graphene layers is not possible in environmental conditions (magnetic field, temperature, etc.) usable for electronics applications. However, two stacked graphene layers can be decoupled using chemical functionalization. We demonstrate successful tunneling, charge, and spin transport with a fluorinated graphene tunnel barrier on a graphene channel. We show that while spin transport stops short of room temperature, spin polarization efficiency values are the highest of any graphene spin devices. We also demonstrate that hydrogenation of graphene can also be used to create a tunnel barrier. We begin with a four-layer stack of graphene and hydrogenate the top few layers to decouple them from the graphene transport channel beneath. We demonstrate successful tunneling by measuring non-linear IV curves and a weakly temperature dependent zero-bias resistance. We demonstrate lateral transport of spin currents in non-local spin-valve structures and determine spin lifetimes with the non-local Hanle effect to be commensurate with previous studies. The measured spin polarization efficiencies for hydrogenated graphene are higher than most oxide tunnel barriers on graphene, but not as high as with fluorinated graphene tunnel barriers. However, here we show that spin transport persists up to room temperature. Our results for the hydrogenated graphene tunnel barriers are compared with fluorinated tunnel barriers and we discuss the possibility that magnetic moments in the graphene tunnel barriers affect the spin transport of our devices.

Microscopic observation of laser glazed yttria-stabilized zirconia coatings

NASA Astrophysics Data System (ADS)

Morks, M. F.; Berndt, C. C.; Durandet, Y.; Brandt, M.; Wang, J.

2010-08-01

Thermal barrier coatings (TBCs) are frequently used as insulation system for hot components in gas-turbine, combustors and power plant industries. The corrosive gases which come from combustion of low grade fuels can penetrate into the TBCs and reach the metallic components and bond coat and cause hot corrosion and erosion damage. Glazing the top coat by laser beam is advanced approach to seal TBCs surface. The laser beam has the advantage of forming a dense thin layer composed of micrograins. Plasma-sprayed yttria-stabilized zirconia (YSZ) coating was glazed with Nd-YAG laser at different operating conditions. The surface morphologies, before and after laser treatment, were investigated by scanning electron microscopy. Laser beam assisted the densification of the surface by remelting a thin layer of the exposed surface. The laser glazing converted the rough surface of TBCs into smooth micron-size grains with size of 2-9 μm and narrow grain boundaries. The glazed surfaces showed higher Vickers hardness compared to as-sprayed coatings. The results revealed that the hardness increases as the grain size decreases.

Efficient algorithms for the simulation of non-adiabatic electron transfer in complex molecular systems: application to DNA.

PubMed

Kubař, Tomáš; Elstner, Marcus

2013-04-28

In this work, a fragment-orbital density functional theory-based method is combined with two different non-adiabatic schemes for the propagation of the electronic degrees of freedom. This allows us to perform unbiased simulations of electron transfer processes in complex media, and the computational scheme is applied to the transfer of a hole in solvated DNA. It turns out that the mean-field approach, where the wave function of the hole is driven into a superposition of adiabatic states, leads to over-delocalization of the hole charge. This problem is avoided using a surface hopping scheme, resulting in a smaller rate of hole transfer. The method is highly efficient due to the on-the-fly computation of the coarse-grained DFT Hamiltonian for the nucleobases, which is coupled to the environment using a QM/MM approach. The computational efficiency and partial parallel character of the methodology make it possible to simulate electron transfer in systems of relevant biochemical size on a nanosecond time scale. Since standard non-polarizable force fields are applied in the molecular-mechanics part of the calculation, a simple scaling scheme was introduced into the electrostatic potential in order to simulate the effect of electronic polarization. It is shown that electronic polarization has an important effect on the features of charge transfer. The methodology is applied to two kinds of DNA sequences, illustrating the features of transfer along a flat energy landscape as well as over an energy barrier. The performance and relative merit of the mean-field scheme and the surface hopping for this application are discussed.