Substrate Vibrations as Promoters of Chemical Reactivity on Metal Surfaces.

PubMed

Campbell, Victoria L; Chen, Nan; Guo, Han; Jackson, Bret; Utz, Arthur L

2015-12-17

Studies exploring how vibrational energy (Evib) promotes chemical reactivity most often focus on molecular reagents, leaving the role of substrate atom motion in heterogeneous interfacial chemistry underexplored. This combined theoretical and experimental study of methane dissociation on Ni(111) shows that lattice atom motion modulates the reaction barrier height during each surface atom's vibrational period, which leads to a strong variation in the reaction probability (S0) with surface temperature (Tsurf). State-resolved beam-surface scattering studies at Tsurf = 90 K show a sharp threshold in S0 at translational energy (Etrans) = 42 kJ/mol. When Etrans decreases from 42 kJ/mol to 34 kJ/mol, S0 decreases 1000-fold at Tsurf = 90 K, but only 2-fold at Tsurf = 475 K. Results highlight the mechanism for this effect, provide benchmarks for DFT calculations, and suggest the potential importance of surface atom induced barrier height modulation in heterogeneously catalyzed reactions, particularly on structurally labile nanoscale particles and defect sites.

Proton Transfer Dynamics at the Membrane/Water Interface: Dependence on the Fixed and Mobile pH Buffers, on the Size and Form of Membrane Particles, and on the Interfacial Potential Barrier

PubMed Central

Cherepanov, Dmitry A.; Junge, Wolfgang; Mulkidjanian, Armen Y.

2004-01-01

Crossing the membrane/water interface is an indispensable step in the transmembrane proton transfer. Elsewhere we have shown that the low dielectric permittivity of the surface water gives rise to a potential barrier for ions, so that the surface pH can deviate from that in the bulk water at steady operation of proton pumps. Here we addressed the retardation in the pulsed proton transfer across the interface as observed when light-triggered membrane proton pumps ejected or captured protons. By solving the system of diffusion equations we analyzed how the proton relaxation depends on the concentration of mobile pH buffers, on the surface buffer capacity, on the form and size of membrane particles, and on the height of the potential barrier. The fit of experimental data on proton relaxation in chromatophore vesicles from phototropic bacteria and in bacteriorhodopsin-containing membranes yielded estimates for the interfacial potential barrier for H+/OH− ions of ∼120 meV. We analyzed published data on the acceleration of proton equilibration by anionic pH buffers and found that the height of the interfacial barrier correlated with their electric charge ranging from 90 to 120 meV for the singly charged species to >360 meV for the tetra-charged pyranine. PMID:14747306

Densely-packed ZnTPPs Monolayer on the Rutile TiO2(110)-(1×1) Surface: Adsorption Behavior and Energy Level Alignment

PubMed Central

Rangan, Sylvie; Ruggieri, Charles; Bartynski, Robert; Martínez, José Ignacio; Flores, Fernando; Ortega, José

2016-01-01

The adsorption of a densely packed Zinc(II) tetraphenylporphyrin monolayer on a rutile TiO2(110)-(1×1) surface has been studied using a combination of experimental and theoretical methods, aimed at analyzing the relation between adsorption behavior and barrier height formation. The adsorption configuration of ZnTPP was determined from scanning tunnel microscopy (STM) imaging, density functional theory (DFT) calculations and STM image simulation. The corresponding energy alignment was experimentally determined from X-ray and UV-photoemission spectroscopies and inverse photoemission spectroscopy. These results were found in good agreement with an appropriately corrected DFT model, pointing to the importance of local bonding and intermolecular interactions in the establishment of barrier heights. PMID:26998188

Spatial inhomogeneous barrier heights at graphene/semiconductor Schottky junctions

NASA Astrophysics Data System (ADS)

Tomer, Dushyant

Graphene, a semimetal with linear energy dispersion, forms Schottky junction when interfaced with a semiconductor. This dissertation presents temperature dependent current-voltage and scanning tunneling microscopy/spectroscopy (STM/S) measurements performed on graphene Schottky junctions formed with both three and two dimensional semiconductors. To fabricate Schottky junctions, we transfer chemical vapor deposited monolayer graphene onto Si- and C-face SiC, Si, GaAs and MoS2 semiconducting substrates using polymer assisted chemical method. We observe three main type of intrinsic spatial inhomogeneities, graphene ripples, ridges and semiconductor steps in STM imaging that can exist at graphene/semiconductor junctions. Tunneling spectroscopy measurements reveal fluctuations in graphene Dirac point position, which is directly related to the Schottky barrier height. We find a direct correlation of Dirac point variation with the topographic undulations of graphene ripples at the graphene/SiC junction. However, no such correlation is established at graphene/Si and Graphene/GaAs junctions and Dirac point variations are attributed to surface states and trapped charges at the interface. In addition to graphene ripples and ridges, we also observe atomic scale moire patterns at graphene/MoS2 junction due to van der Waals interaction at the interface. Periodic topographic modulations due to moire pattern do not lead to local variation in graphene Dirac point, indicating that moire pattern does not contribute to fluctuations in electronic properties of the heterojunction. We perform temperature dependent current-voltage measurements to investigate the impact of topographic inhomogeneities on electrical properties of the Schottky junctions. We observe temperature dependence in junction parameters, such as Schottky barrier height and ideality factor, for all types of Schottky junctions in forward bias measurements. Standard thermionic emission theory which assumes a perfect smooth interface fails to explain such behavior, hence, we apply a modified emission theory with Gaussian distribution of Schottky barrier heights. The modified theory, applicable to inhomogeneous interfaces, explains the temperature dependent behavior of our Schottky junctions and gives a temperature independent mean barrier height. We attribute the inhomogeneous barrier height to the presence of graphene ripples and ridges in case of SiC and MoS2 while surface states and trapped charges at the interface is dominating in Si and GaAs. Additionally, we observe bias dependent current and barrier height in reverse bias regime also for all Schottky junctions. To explain such behavior, we consider two types of reverse bias conduction mechanisms; Poole-Frenkel and Schottky emission. We find that Poole-Frenkel emission explains the characteristics of graphene/SiC junctions very well. However, both the mechanism fails to interpret the behavior of graphene/Si and graphene/GaAs Schottky junctions. These findings provide insight into the fundamental physics at the interface of graphene/semiconductor junctions.

Calculation of multidimensional potential energy surfaces for even-even transuranium nuclei: systematic investigation of the triaxiality effect on the fission barrier

NASA Astrophysics Data System (ADS)

Chai, Qing-Zhen; Zhao, Wei-Juan; Liu, Min-Liang; Wang, Hua-Lei

2018-05-01

Static fission barriers for 95 even-even transuranium nuclei with charge number Z = 94–118 have been systematically investigated by means of pairing self-consistent Woods-Saxon-Strutinsky calculations using the potential energy surface approach in multidimensional (β 2, γ, β 4) deformation space. Taking the heavier 252Cf nucleus (with the available fission barrier from experiment) as an example, the formation of the fission barrier and the influence of macroscopic, shell and pairing correction energies on it are analyzed. The results of the present calculated β 2 values and barrier heights are compared with previous calculations and available experiments. The role of triaxiality in the region of the first saddle is discussed. It is found that the second fission barrier is also considerably affected by the triaxial deformation degree of freedom in some nuclei (e.g., the Z=112–118 isotopes). Based on the potential energy curves, general trends of the evolution of the fission barrier heights and widths as a function of the nucleon numbers are investigated. In addition, the effects of Woods-Saxon potential parameter modifications (e.g., the strength of the spin-orbit coupling and the nuclear surface diffuseness) on the fission barrier are briefly discussed. Supported by National Natural Science Foundation of China (11675148, 11505157), the Project of Youth Backbone Teachers of Colleges and Universities of Henan Province (2017GGJS008), the Foundation and Advanced Technology Research Program of Henan Province (162300410222), the Outstanding Young Talent Research Fund of Zhengzhou University (1521317002) and the Physics Research and Development Program of Zhengzhou University (32410017)

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

Surface morphological, electrical and transport properties of rapidly annealed double layers Ru/Cr Schottky structure on n-type InP

NASA Astrophysics Data System (ADS)

Shanthi Latha, K.; Rajagopal Reddy, V.

2017-07-01

The electrical and transport properties of a fabricated bilayer Ru/Cr/ n-InP Schottky diode (SD) have been investigated at different annealing temperatures. Atomic force microscopy results have showed that the overall surface morphology of the Ru/Cr/ n-InP SD is fairly smooth at elevated temperatures. High barrier height is achieved for the diode annealed at 300 °C compared to the as-deposited, annealed at 200 and 400 °C diodes. The series resistance and shunt resistance of the Ru/Cr/ n-InP SD are estimated by current-voltage method at different annealing temperatures. The barrier heights and series resistance are also determined by Cheung's and modified Norde functions. The interface state density of the Ru/Cr/ n-InP SD is found to be decreased after annealing at 300 °C and then slightly increased upon annealing at 400 °C. The difference between barrier heights obtained from current-voltage and capacitance-voltage is also discussed. Experimental results have showed that the Poole-Frenkel emission is found to be dominant in the lower bias region whereas Schottky emission is dominant in the higher bias region for the Ru/Cr/ n-InP SDs irrespective of annealing temperatures.

The dissociative chemisorption of water on Ni(111): Mode- and bond-selective chemistry on metal surfaces

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

Farjamnia, Azar; Jackson, Bret, E-mail: jackson@chem.umass.edu

A fully quantum approach based on an expansion in vibrationally adiabatic eigenstates is used to explore the dissociative chemisorption of H{sub 2}O, HOD, and D{sub 2}O on Ni(111). For this late barrier system, excitation of both the bending and stretching modes significantly enhances dissociative sticking. The vibrational efficacies vary somewhat from mode-to-mode but are all relatively close to one, in contrast to methane dissociation, where the behavior is less statistical. Similar to methane dissociation, the motion of lattice atoms near the dissociating molecule can significantly modify the height of the barrier to dissociation, leading to a strong variation in dissociativemore » sticking with substrate temperature. Given a rescaling of the barrier height, our results are in reasonable agreement with measurements of the dissociative sticking of D{sub 2}O on Ni(111), for both laser-excited molecules with one or two quanta of excitation in the antisymmetric stretch and in the absence of laser excitation. Even without laser excitation, the beam contains vibrationally excited molecules populated at the experimental source temperature, and these make significant contributions to the sticking probability. At high collision energies, above the adiabatic barrier heights, our results correlate with these barrier heights and mode softening effects. At lower energies, dissociative sticking occurs primarily via vibrationally nonadiabatic pathways. We find a preference for O–H over O–D bond cleavage for ground state HOD molecules at all but the highest collision energies, and excitation of the O–H stretch gives close to 100% O–H selectivity at lower energies. Excitation of the O–D stretch gives a lower O–D cleavage selectivity, as the interaction with the surface leads to energy transfer from the O–D stretch into the O–H bond, when mode softening makes these vibrations nearly degenerate.« less

Characterization technique for inhomogeneous 4H-SiC Schottky contacts: A practical model for high temperature behavior

NASA Astrophysics Data System (ADS)

Brezeanu, G.; Pristavu, G.; Draghici, F.; Badila, M.; Pascu, R.

2017-08-01

In this paper, a characterization technique for 4H-SiC Schottky diodes with varying levels of metal-semiconductor contact inhomogeneity is proposed. A macro-model, suitable for high-temperature evaluation of SiC Schottky contacts, with discrete barrier height non-uniformity, is introduced in order to determine the temperature interval and bias domain where electrical behavior of the devices can be described by the thermionic emission theory (has a quasi-ideal performance). A minimal set of parameters, the effective barrier height and peff, the non-uniformity factor, is associated. Model-extracted parameters are discussed in comparison with literature-reported results based on existing inhomogeneity approaches, in terms of complexity and physical relevance. Special consideration was given to models based on a Gaussian distribution of barrier heights on the contact surface. The proposed methodology is validated by electrical characterization of nickel silicide Schottky contacts on silicon carbide (4H-SiC), where a discrete barrier distribution can be considered. The same method is applied to inhomogeneous Pt/4H-SiC contacts. The forward characteristics measured at different temperatures are accurately reproduced using this inhomogeneous barrier model. A quasi-ideal behavior is identified for intervals spanning 200 °C for all measured Schottky samples, with Ni and Pt contact metals. A predictable exponential current-voltage variation over at least 2 orders of magnitude is also proven, with a stable barrier height and effective area for temperatures up to 400 °C. This application-oriented characterization technique is confirmed by using model parameters to fit a SiC-Schottky high temperature sensor's response.

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.

Numerical study of the effects of surface topography and chemistry on the wetting transition using the string method.

PubMed

Zhang, Yanan; Ren, Weiqing

2014-12-28

Droplets on a solid surface patterned with microstructures can exhibit the composite Cassie-Baxter (CB) state or the wetted Wenzel state. The stability of the CB state is determined by the energy barrier separating it from the wetted state. In this work, we study the CB to Wenzel transition using the string method [E et al., J. Chem. Phys. 126, 164103 (2007); W. Ren and E. Vanden-Eijnden, J. Chem. Phys. 138, 134105 (2013)]. We compute the transition states and energy barriers for a three-dimensional droplet on patterned surfaces. The liquid-vapor coexistence is modeled using the mean field theory. Numerical results are obtained for surfaces patterned with straight pillars and nails, respectively. It is found that on both type of surfaces, wetting occurs via infiltration of the liquid in a single groove. The reentrant geometry of nails creates large energy barrier for the wetting of the solid surface compared to straight pillars. We also study the effect of surface chemistry, pillar height, and inter-pillar spacing on the energy barrier and compare it with nails.

Numerical study of the effects of surface topography and chemistry on the wetting transition using the string method

NASA Astrophysics Data System (ADS)

Zhang, Yanan; Ren, Weiqing

2014-12-01

Droplets on a solid surface patterned with microstructures can exhibit the composite Cassie-Baxter (CB) state or the wetted Wenzel state. The stability of the CB state is determined by the energy barrier separating it from the wetted state. In this work, we study the CB to Wenzel transition using the string method [E et al., J. Chem. Phys. 126, 164103 (2007); W. Ren and E. Vanden-Eijnden, J. Chem. Phys. 138, 134105 (2013)]. We compute the transition states and energy barriers for a three-dimensional droplet on patterned surfaces. The liquid-vapor coexistence is modeled using the mean field theory. Numerical results are obtained for surfaces patterned with straight pillars and nails, respectively. It is found that on both type of surfaces, wetting occurs via infiltration of the liquid in a single groove. The reentrant geometry of nails creates large energy barrier for the wetting of the solid surface compared to straight pillars. We also study the effect of surface chemistry, pillar height, and inter-pillar spacing on the energy barrier and compare it with nails.

Energy Levels in Quantum Wells.

NASA Astrophysics Data System (ADS)

Zang, Jan Xin

Normalized analytical equations for eigenstates of an arbitrary one-dimensional configuration of square potentials in a well have been derived. The general formulation is used to evaluate the energy levels of a particle in a very deep potential well containing seven internal barriers. The configuration can be considered as a finite superlattice sample or as a simplified model for a sample with only several atom layers. The results are shown in graphical forms as functions of the height and width of the potential barriers and as functions of the ratio of the effective mass in barrier to the mass in well. The formation of energy bands and surface eigenstates from eigenstates of a deep single well, the coming close of two energy bands and a surface state which are separate ordinarily, and mixing of the wave function of a surface state with the bulk energy bands are seen. Then the normalized derivation is extended to study the effect of a uniform electric field applied across a one-dimensional well containing an internal configuration of square potentials The general formulation is used to calculate the electric field dependence of the energy levels of a deep well with five internal barriers. Typical results are shown in graphical forms as functions of the barrier height, barrier width, barrier effective mass and the field strength. The formation of Stark ladders and surface states from the eigenstates of a single deep well in an electric field, the localization process of wave functions with changing barrier height, width, and field strength and their anticrossing behaviors are seen. The energy levels of a hydrogenic impurity in a uniform medium and in a uniform magnetic field are calculated with variational methods. The energy eigenvalues for the eigenstates with major quantum number less than or equal to 3 are obtained. The results are consistent with previous results. Furthermore, the energy levels of a hydrogenic impurity at the bottom of a one-dimensional parabolic quantum well with a magnetic field normal to the plane of the well are calculated with the finite-basis-set variational method. The limit of small radial distance and the limit of great radial distance are considered to choose a set of proper basis functions. It is found that the energy levels increase with increasing parabolic parameter alpha and increase with increasing normalized magnetic field strength gamma except those levels with magnetic quantum number m < 0 at small gamma.

Fabrication of single Ga-doped ZnS nanowires as high-gain photosensors by focused ion beam deposition

NASA Astrophysics Data System (ADS)

Yen, Shih-Hsiang; Hung, Yu-Chen; Yeh, Ping-Hung; Su, Ya-Wen; Wang, Chiu-Yen

2017-09-01

ZnS nanowires were synthesized via a vapor-liquid-solid mechanism and then fabricated into a single-nanowire field-effect transistor by focused ion beam (FIB) deposition. The field-effect electrical properties of the FIB-fabricated ZnS nanowire device, namely conductivity, mobility and hole concentration, were 9.13 Ω-1 cm-1, 13.14 cm2 V-1 s-1and 4.27 × 1018 cm-3, respectively. The photoresponse properties of the ZnS nanowires were studied and the current responsivity, current gain, response time and recovery time were 4.97 × 106 A W-1, 2.43 × 107, 9 s and 24 s, respectively. Temperature-dependent I-V measurements were used to analyze the interfacial barrier height between ZnS and the FIB-deposited Pt electrode. The results show that the interfacial barrier height is as low as 40 meV. The energy-dispersive spectrometer elemental line scan shows the influence of Ga ions on the ZnS nanowire surface on the FIB-deposited Pt contact electrodes. The results of temperature-dependent I-V measurements and the elemental line scan indicate that Ga ions were doped into the ZnS nanowire, reducing the barrier height between the FIB-deposited Pt electrodes and the single ZnS nanowire. The small barrier height results in the FIB-fabricated ZnS nanowire device acting as a high-gain photosensor.

A sensitivity-based approach to optimize the surface treatment of a low-height tramway noise barrier

NASA Astrophysics Data System (ADS)

Jolibois, Alexandre

Transportation noise has become a main nuisance in urban areas, in the industrialized world and across the world, to the point that according to the World Health Organization 65% of the European population is exposed to excessive noise and 20% to night-time levels that may harm their health. There is therefore a need to find new ways to mitigate transportation noise in urban areas. In this work, a possible device to achieve this goal is studied: a low-height noise barrier. It consists of a barrier typically less than one meter high placed close to the source, designed to decrease significantly the noise level for nearby pedestrians and cyclists. A numerical method which optimizes the surface treatment of a low-height barrier in order to increase its insertion loss is presented. Tramway noise barriers are especially studied since the noise sources are in this case close to the ground and would be attenuated more by the barrier. The acoustic behavior of the surface treatment is modeled via its admittance. It can be itself described by a few parameters (flow resistivity, geometrical dimensions...), which can then be optimized. It is proposed to couple porous layers and micro-perforated panel (MPP) resonators in order to take advantage of their different acoustic properties. Moreover, the optimization is achieved using a sensitivity-based method, since in this framework the gradient of the attenuation can be evaluated accurately and efficiently. Several shapes are considered: half-cylinder, quarter-cylinder, straight wall, T-shape and square shape. In the case of a half-cylindrical geometry, a semi-analytical solution for the sound field in terms of a series of cylindrical waves is derived, which simplifies the sensitivity calculation and optimization process. The boundary element method (BEM) is used to evaluate the attenuation for the remaining shapes, and in this case the sensitivity is evaluated using the adjoint state approach. For all considered geometries, it is found that placing an absorbing treatment close to the source is indeed necessary to attenuate the multiple re ections happening between the tramway and the barrier, and that a tuned MPP resonator on the top of the barrier can yield better performance than a uniform absorbent treatment. More advanced numerical modeling and scale model measurements seem to confirm these results.

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.

Study of Fission Barrier Heights of Uranium Isotopes by the Macroscopic-Microscopic Method

NASA Astrophysics Data System (ADS)

Zhong, Chun-Lai; Fan, Tie-Shuan

2014-09-01

Potential energy surfaces of uranium nuclei in the range of mass numbers 229 through 244 are investigated in the framework of the macroscopic-microscopic model and the heights of static fission barriers are obtained in terms of a double-humped structure. The macroscopic part of the nuclear energy is calculated according to Lublin—Strasbourg-drop (LSD) model. Shell and pairing corrections as the microscopic part are calculated with a folded-Yukawa single-particle potential. The calculation is carried out in a five-dimensional parameter space of the generalized Lawrence shapes. In order to extract saddle points on the potential energy surface, a new algorithm which can effectively find an optimal fission path leading from the ground state to the scission point is developed. The comparison of our results with available experimental data and others' theoretical results confirms the reliability of our calculations.

Effects of morphology parameters on anti-icing performance in superhydrophobic surfaces

NASA Astrophysics Data System (ADS)

Nguyen, Thanh-Binh; Park, Seungchul; Lim, Hyuneui

2018-03-01

In this paper, we report the contributions of actual ice-substrate contact area and nanopillar height to passive anti-icing performance in terms of adhesion force and freezing time. Well-textured nanopillars with various parameters were fabricated via colloidal lithography and a dry etching process. The nanostructured quartz surface was coated with low-energy material to confer water-repellent properties. These superhydrophobic surfaces were investigated to determine the parameters essential for reducing adhesion strength and delaying freezing time. A well-textured surface with nanopillars of very small top diameter, regardless of height, could reduce adhesion force and delay freezing time in a subsequent de-icing process. Small top diameters of nanopillars also ensured the metastable Cassie-Baxter state based on energy barrier calculations. The results demonstrated the important role of areal fraction in anti-icing efficiency, and the negligible contribution of texture height. This insight into icing phenomena should lead to design of improved ice-phobic surfaces in the future.

Calculation of the Schottky barrier and current–voltage characteristics of metal–alloy structures based on silicon carbide

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

Altuhov, V. I., E-mail: altukhovv@mail.ru; Kasyanenko, I. S.; Sankin, A. V.

2016-09-15

A simple but nonlinear model of the defect density at a metal–semiconductor interface, when a Schottky barrier is formed by surface defects states localized at the interface, is developed. It is shown that taking the nonlinear dependence of the Fermi level on the defect density into account leads to a Schottky barrier increase by 15–25%. The calculated barrier heights are used to analyze the current–voltage characteristics of n-M/p-(SiC){sub 1–x}(AlN){sub x} structures. The results of calculations are compared to experimental data.

Fission barriers at the end of the chart of the nuclides

NASA Astrophysics Data System (ADS)

Möller, Peter; Sierk, Arnold J.; Ichikawa, Takatoshi; Iwamoto, Akira; Mumpower, Matthew

2015-02-01

We present calculated fission-barrier heights for 5239 nuclides for all nuclei between the proton and neutron drip lines with 171 ≤A ≤330 . The barriers are calculated in the macroscopic-microscopic finite-range liquid-drop model with a 2002 set of macroscopic-model parameters. The saddle-point energies are determined from potential-energy surfaces based on more than 5 000 000 different shapes, defined by five deformation parameters in the three-quadratic-surface shape parametrization: elongation, neck diameter, left-fragment spheroidal deformation, right-fragment spheroidal deformation, and nascent-fragment mass asymmetry. The energy of the ground state is determined by calculating the lowest-energy configuration in both the Nilsson perturbed-spheroid (ɛ ) and the spherical-harmonic (β ) parametrizations, including axially asymmetric deformations. The lower of the two results (correcting for zero-point motion) is defined as the ground-state energy. The effect of axial asymmetry on the inner barrier peak is calculated in the (ɛ ,γ ) parametrization. We have earlier benchmarked our calculated barrier heights to experimentally extracted barrier parameters and found average agreement to about 1 MeV for known data across the nuclear chart. Here we do additional benchmarks and investigate the qualitative and, when possible, quantitative agreement and/or consistency with data on β -delayed fission, isotope generation along prompt-neutron-capture chains in nuclear-weapons tests, and superheavy-element stability. These studies all indicate that the model is realistic at considerable distances in Z and N from the region of nuclei where its parameters were determined.

Spatial fluctuations in barrier height at the graphene-silicon carbide Schottky junction.

PubMed

Rajput, S; Chen, M X; Liu, Y; Li, Y Y; Weinert, M; Li, L

2013-01-01

When graphene is interfaced with a semiconductor, a Schottky contact forms with rectifying properties. Graphene, however, is also susceptible to the formation of ripples upon making contact with another material. Here we report intrinsic ripple- and electric field-induced effects at the graphene semiconductor Schottky junction, by comparing chemical vapour-deposited graphene transferred on semiconductor surfaces of opposite polarization-the hydrogen-terminated silicon and carbon faces of hexagonal silicon carbide. Using scanning tunnelling microscopy/spectroscopy and first-principles calculations, we show the formation of a narrow Schottky dipole barrier approximately 10 Å wide, which facilitates the observed effective electric field control of the Schottky barrier height. We further find atomic-scale spatial fluctuations in the Schottky barrier that directly follow the undulation of ripples on both graphene-silicon carbide junctions. These findings reveal fundamental properties of the graphene/semiconductor Schottky junction-a key component of vertical graphene devices that offer functionalities unattainable in planar device architecture.

Investigation of heavy-ion fusion with deformed surface diffuseness: Actinide and lanthanide targets

NASA Astrophysics Data System (ADS)

Alavi, S. A.; Dehghani, V.

2017-05-01

By using a deformed Broglia-Winther nuclear interaction potential in the framework of the WKB method, the near- and above-barrier heavy-ion-fusion cross sections of 16O with some lanthanides and actinides have been calculated. The effect of deformed surface diffuseness on the nuclear interaction potential, the effective interaction potential at distinct angle, barrier position, barrier height, cross section at each angles, and fusion cross sections of 16O+147Sm,150Nd,154Sm , and 166Er and 16O+232Th,238U,237Np , and 248Cm have been studied. The differences between the results obtained by using deformed surface diffuseness and those obtained by using constant surface diffuseness were noticeable. Good agreement between experimental data and theoretical calculation with deformed surface diffuseness were observed for 16O+147Sm,154Sm,166Er,238U,237Np , and 248Cm reactions. It has been observed that deformed surface diffuseness plays a significant role in heavy-ion-fusion studies.

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

Numerical study of the effects of surface topography and chemistry on the wetting transition using the string method

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

Zhang, Yanan, E-mail: ynzhang@suda.edu.cn; Ren, Weiqing, E-mail: matrw@nus.edu.sg; Institute of High Performance Computing, Singapore 138632

2014-12-28

Droplets on a solid surface patterned with microstructures can exhibit the composite Cassie-Baxter (CB) state or the wetted Wenzel state. The stability of the CB state is determined by the energy barrier separating it from the wetted state. In this work, we study the CB to Wenzel transition using the string method [E et al., J. Chem. Phys. 126, 164103 (2007); W. Ren and E. Vanden-Eijnden, J. Chem. Phys. 138, 134105 (2013)]. We compute the transition states and energy barriers for a three-dimensional droplet on patterned surfaces. The liquid-vapor coexistence is modeled using the mean field theory. Numerical results aremore » obtained for surfaces patterned with straight pillars and nails, respectively. It is found that on both type of surfaces, wetting occurs via infiltration of the liquid in a single groove. The reentrant geometry of nails creates large energy barrier for the wetting of the solid surface compared to straight pillars. We also study the effect of surface chemistry, pillar height, and inter-pillar spacing on the energy barrier and compare it with nails.« less

Inhomogeneity in barrier height at graphene/Si (GaAs) Schottky junctions.

PubMed

Tomer, D; Rajput, S; Hudy, L J; Li, C H; Li, L

2015-05-29

Graphene (Gr) interfaced with a semiconductor forms a Schottky junction with rectifying properties, however, fluctuations in the Schottky barrier height are often observed. In this work, Schottky junctions are fabricated by transferring chemical vapor deposited monolayer Gr onto n-type Si and GaAs substrates. Temperature dependence of the barrier height and ideality factor are obtained by current-voltage measurements between 215 and 350 K. An increase in the zero bias barrier height and decrease in the ideality factor are observed with increasing temperature for both junctions. Such behavior is attributed to barrier inhomogeneities that arise from interfacial disorders as revealed by scanning tunneling microscopy/spectroscopy. Assuming a Gaussian distribution of the barrier heights, mean values of 1.14 ± 0.14 eV and 0.76 ± 0.10 eV are found for Gr/Si and Gr/GaAs junctions, respectively. These findings resolve the origin of barrier height inhomogeneities in these Schottky junctions.

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

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.

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.

The triaxiality and Coriolis effects on the fission barrier in isovolumic nuclei with mass number A = 256 based on multidimensional total Routhian surface calculations

NASA Astrophysics Data System (ADS)

Chai, Qing-Zhen; Zhao, Wei-Juan; Wang, Hua-Lei; Liu, Min-Liang; Xu, Fu-Rong

2018-05-01

The triaxiality and Coriolis effects on the first fission barrier in even-even nuclei with A=256 have been studied in terms of the approach of multidimensional total Routhian surface calculations. The present results are compared with available data and other theories, showing a good agreement. Based on the deformation energy or Routhian curves, the first fission barriers are analyzed, focusing on their shapes, heights, and evolution with rotation. It is found that, relative to the effect on the ground-state minimum, the saddle point, at least the first one, can be strongly affected by the triaxial deformation degree of freedom and Coriolis force. The evolution trends of the macroscopic and microscopic (shell and pairing) contributions as well as the triaxial fission barriers are briefly discussed.

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.

First-Principles Study of the Band Diagrams and Schottky-Type Barrier Heights of Aqueous Ta3N5 Interfaces.

PubMed

Watanabe, Eriko; Ushiyama, Hiroshi; Yamashita, Koichi

2017-03-22

The photo(electro)chemical production of hydrogen by water splitting is an efficient and sustainable method for the utilization of solar energy. To improve photo(electro)catalytic activity, a Schottky-type barrier is typically useful to separate excited charge carriers in semiconductor electrodes. Here, we focused on studying the band diagrams and the Schottky-type barrier heights of Ta 3 N 5 , which is one of the most promising materials as a photoanode for water splitting. The band alignments of the undoped and n-type Ta 3 N 5 with adsorbents in a vacuum were examined to determine how impurities and adsorbents affect the band positions and Fermi energies. The band edge positions as well as the density of surface states clearly depended on the density of O N impurities in the bulk and surface regions. Finally, the band diagrams of the n-type Ta 3 N 5 /water interfaces were calculated with an improved interfacial model to include the effect of electrode potential with explicit water molecules. We observed partial Fermi level pinning in our calculations at the Ta 3 N 5 /water interface, which affects the driving force for charge separation.

Semantic 3d City Model to Raster Generalisation for Water Run-Off Modelling

NASA Astrophysics Data System (ADS)

Verbree, E.; de Vries, M.; Gorte, B.; Oude Elberink, S.; Karimlou, G.

2013-09-01

Water run-off modelling applied within urban areas requires an appropriate detailed surface model represented by a raster height grid. Accurate simulations at this scale level have to take into account small but important water barriers and flow channels given by the large-scale map definitions of buildings, street infrastructure, and other terrain objects. Thus, these 3D features have to be rasterised such that each cell represents the height of the object class as good as possible given the cell size limitations. Small grid cells will result in realistic run-off modelling but with unacceptable computation times; larger grid cells with averaged height values will result in less realistic run-off modelling but fast computation times. This paper introduces a height grid generalisation approach in which the surface characteristics that most influence the water run-off flow are preserved. The first step is to create a detailed surface model (1:1.000), combining high-density laser data with a detailed topographic base map. The topographic map objects are triangulated to a set of TIN-objects by taking into account the semantics of the different map object classes. These TIN objects are then rasterised to two grids with a 0.5m cell-spacing: one grid for the object class labels and the other for the TIN-interpolated height values. The next step is to generalise both raster grids to a lower resolution using a procedure that considers the class label of each cell and that of its neighbours. The results of this approach are tested and validated by water run-off model runs for different cellspaced height grids at a pilot area in Amersfoort (the Netherlands). Two national datasets were used in this study: the large scale Topographic Base map (BGT, map scale 1:1.000), and the National height model of the Netherlands AHN2 (10 points per square meter on average). Comparison between the original AHN2 height grid and the semantically enriched and then generalised height grids shows that water barriers are better preserved with the new method. This research confirms the idea that topographical information, mainly the boundary locations and object classes, can enrich the height grid for this hydrological application.

Fission barriers at the end of the chart of the nuclides

DOE PAGES

Möller, Peter; Sierk, Arnold J.; Ichikawa, Takatoshi; ...

2015-02-12

We present calculated fission-barrier heights for 5239 nuclides for all nuclei between the proton and neutron drip lines with 171 ≤ A ≤ 330. The barriers are calculated in the macroscopic-microscopic finite-range liquid-drop (FRLDM) with a 2002 set of macroscopic-model parameters. The saddle-point energies are determined from potential-energy surfaces based on more than five million different shapes, defined by five deformation parameters in the three-quadratic-surface shape parametrization: elongation, neck diameter, left-fragment spheroidal deformation, right-fragment spheroidal deformation, and nascent-fragment mass asymmetry. The energy of the ground state is determined by calculating the lowest-energy configuration in both the Nilsson perturbed-spheroid (ϵ) andmore » the spherical-harmonic (β) parametrizations, including axially asymmetric deformations. The lower of the two results (correcting for zero-point motion) is defined as the ground-state energy. The effect of axial asymmetry on the inner barrier peak is calculated in the (ϵ,γ) parametrization. We have earlier benchmarked our calculated barrier heights to experimentally extracted barrier parameters and found average agreement to about one MeV for known data across the nuclear chart. Here we do additional benchmarks and investigate the qualitative and, when possible, quantitative agreement and/or consistency with data on β-delayed fission, isotope generation along prompt-neutron-capture chains in nuclear-weapons tests, and superheavy-element stability. In addition these studies all indicate that the model is realistic at considerable distances in Z and N from the region of nuclei where its parameters were determined.« less

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

Möller, Peter; Sierk, Arnold J.; Ichikawa, Takatoshi

We present calculated fission-barrier heights for 5239 nuclides for all nuclei between the proton and neutron drip lines with 171 ≤ A ≤ 330. The barriers are calculated in the macroscopic-microscopic finite-range liquid-drop (FRLDM) with a 2002 set of macroscopic-model parameters. The saddle-point energies are determined from potential-energy surfaces based on more than five million different shapes, defined by five deformation parameters in the three-quadratic-surface shape parametrization: elongation, neck diameter, left-fragment spheroidal deformation, right-fragment spheroidal deformation, and nascent-fragment mass asymmetry. The energy of the ground state is determined by calculating the lowest-energy configuration in both the Nilsson perturbed-spheroid (ϵ) andmore » the spherical-harmonic (β) parametrizations, including axially asymmetric deformations. The lower of the two results (correcting for zero-point motion) is defined as the ground-state energy. The effect of axial asymmetry on the inner barrier peak is calculated in the (ϵ,γ) parametrization. We have earlier benchmarked our calculated barrier heights to experimentally extracted barrier parameters and found average agreement to about one MeV for known data across the nuclear chart. Here we do additional benchmarks and investigate the qualitative and, when possible, quantitative agreement and/or consistency with data on β-delayed fission, isotope generation along prompt-neutron-capture chains in nuclear-weapons tests, and superheavy-element stability. In addition these studies all indicate that the model is realistic at considerable distances in Z and N from the region of nuclei where its parameters were determined.« less

Sensitivity of the nuclear deformability and fission barriers to the equation of state

NASA Astrophysics Data System (ADS)

Seif, W. M.; Anwer, Hisham

2018-07-01

The model-dependent analysis of the fission data impacts the extracted fission-related quantities, which are not directly observables, such as the super- and hyperdeformed isomeric states and their energies. We investigated the model dependence of the deformability of a nucleus and its fission barriers on the nuclear equation of state. Within the microscopic-macroscopic model based on a large number of Skyrme nucleon-nucleon interactions, the total energy surfaces and the double-humped fission barrier of 230Th are calculated in a multidimensional deformation space. In addition to the ground-state (GS) and the superdeformed (SD) minima, all the investigated forces yielded a hyperdeformed (HD) minimum. The contour map of the shell-plus-pairing energy clearly displayed the three minima. We found that the GS binding energy and the deformation energy of the different deformation modes along the fission path increase with the incompressibility coefficient K0, while the fission barrier heights and the excitation energies of the SD and HD modes decrease with it. Conversely, the surface-energy coefficient asurf, the symmetry-energy, and its density-slope parameter decrease the GS energy and the deformation energies, but increase the fission barrier heights and the excitation energies. The obtained deformation parameters of the different deformation modes exhibit almost independence on K0, and on the symmetry-energy and its density-slope. The principle deformation parameters of the SD and HD isomeric states tend to decrease with asurf.

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].

Droplets on liquid surfaces: Dual equilibrium states and their energy barrier

NASA Astrophysics Data System (ADS)

Shabani, Roxana; Kumar, Ranganathan; Cho, Hyoung J.

2013-05-01

Floating aqueous droplets were formed at oil-air interface, and two stable configurations of (i) non-coalescent droplet and (ii) cap/bead droplet were observed. General solutions for energy and force analysis were obtained for both configurations and were shown to be in good agreement with the experimental observations. The energy barrier obtained for transition from configuration (i) to configuration (ii) was correlated to the droplet release height and the probability of non-coalescent droplet formation.

Control of GaAs Microwave Schottky Diode Electrical Characteristics by Contact Geometry: The Gap Diode.

DTIC Science & Technology

1982-05-01

semiconductor Schottky-barrier contacts are used in many semiconductor devices, including switches, rectifiers, varactors , IMPATTs, mixer and detector...ionic materials such as most of the II-VI compound semiconductors (e.g. ZnS and ZnO) and the transition-metal oxides , the barrier height is strongly...the alloying process described above is nonuniformity, due to the incomplete removal of residual surface oxides prior to the evaporation of the metal

Barrier height inhomogeneity in electrical transport characteristics of InGaN/GaN heterostructure interfaces

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

Roul, Basanta; Central Research Laboratory, Bharat Electronics, Bangalore 560013; Mukundan, Shruti

2015-03-15

We have grown InGaN/GaN heterostructures using plasma-assisted molecular beam epitaxy and studied the temperature dependent electrical transport characteristics. The barrier height (φ{sub b}) and the ideally factor (η) estimated using thermionic emission model were found to be temperature dependent. The conventional Richardson plot of ln(J{sub s}/T{sup 2}) versus 1/kT showed two temperature regions (region-I: 400–500 K and region-II: 200–350 K) and it provides Richardson constants (A{sup ∗}) which are much lower than the theoretical value of GaN. The observed variation in the barrier height and the presence of two temperature regions were attributed to spatial barrier inhomogeneities at the heterojunctionmore » interface and was explained by assuming a double Gaussian distribution of barrier heights with mean barrier height values 1.61 and 1.21 eV with standard deviation (σ{sub s}{sup 2}) of 0.044 and 0.022 V, respectively. The modified Richardson plot of ln(J{sub s}/T{sup 2}) − (q{sup 2}σ{sub s}{sup 2}/2k{sup 2}T{sup 2}) versus 1/kT for two temperature regions gave mean barrier height values as 1.61 eV and 1.22 eV with Richardson constants (A{sup ∗}) values 25.5 Acm{sup −2}K{sup −2} and 43.9 Acm{sup −2}K{sup −2}, respectively, which are very close to the theoretical value. The observed barrier height inhomogeneities were interpreted on the basis of the existence of a double Gaussian distribution of barrier heights at the interface.« less

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.

Characterization of millimetre magnitude atmospheric pressure streamer discharge in pin-to-plane dielectric barrier discharge

NASA Astrophysics Data System (ADS)

Xu, S. J.; Zhang, Y. H.; Yu, Z.; Yao, J.; Zhang, Z. T.

2013-03-01

The streamer regime of pin-to-plane dielectric barrier discharge in air was studied by means of fast photography, electrical measurement and photoelectricity. The fast photographs of positive streamer were obtained by CCD camera with micro lens. The exposure time is one microseconds. The images illustrate that the streamer is non-axisymmetric because of some random factors, such as surface charge position, space charge distribution, gas liquidity and so on. In fact, the streamer propagates along bend discharge channel. The bending degree increases with the electric field strengthen. By surveying a mass of images, the diameter of streamer, height of surface charge effect and scope of surface charge was estimate used to describe the shape of streamer.

Effects of fluorine incorporation into β-Ga2O3

NASA Astrophysics Data System (ADS)

Yang, Jiangcheng; Fares, Chaker; Ren, F.; Sharma, Ribhu; Patrick, Erin; Law, Mark E.; Pearton, S. J.; Kuramata, Akito

2018-04-01

β-Ga2O3 rectifiers fabricated on lightly doped epitaxial layers on bulk substrates were exposed to CF4 plasmas. This produced a significant decrease in Schottky barrier height relative to unexposed control diodes (0.68 eV compared to 1.22 eV) and degradation in ideality factor (2.95 versus 1.01 for the control diodes). High levels of F (>1022 cm-3) were detected in the near-surface region by Secondary Ion Mass Spectrometry. The diffusion of fluorine into the Ga2O3 was thermally activated with an activation energy of 1.24 eV. Subsequent annealing in the range 350-400 °C brought recovery of the diode characteristics and an increase in barrier height to a value larger than in the unexposed control diodes (1.36 eV). Approximately 70% of the initial F was removed from the Ga2O3 by 400 °C, with the surface outgas rate also being thermally activated with an activation energy of 1.23 eV. Very good fits to the experimental data were obtained by integrating physics of the outdiffusion mechanisms into the Florida Object Oriented Process Simulator code and assuming that the outgas rate from the surface was mediated through fluorine molecule formation. The fluorine molecule forward reaction rate had an activation energy of 1.24 eV, while the reversal rate of this reaction had an activation energy of 0.34 eV. The net carrier density in the drift region of the rectifiers decreased after CF4 exposure and annealing at 400 °C. The data are consistent with a model in which near-surface plasma-induced damage creates degraded Schottky barrier characteristics, but as the samples are annealed, this damage is removed, leaving the compensation effect of Si donors by F- ions. The barrier lowering and then enhancement are due to the interplay between surface defects and the chemical effects of the fluorine.

Surface roughening and scaling behavior of vacuum-deposited SnCl{sub 2}Pc organic thin films on different substrates

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

Obaidulla, Sk. Md.; Giri, P. K., E-mail: giri@iitg.ernet.in; Centre for Nanotechnology, Indian Institute of Technology Guwahati, Guwahati 781039

2015-11-30

The evolution of surface morphology and scaling behavior of tin (IV) phthalocyanine dichloride (SnCl{sub 2}Pc) thin films grown on Si(100) and glass substrates have been studied using atomic force microscopy (AFM) and height-height correlation function analysis. X-ray diffraction measurement confirms the crystalline nature of the SnCl{sub 2}Pc thin film on glass substrate, while no crystallographic ordering is present for the film grown on Si substrate. The growth exponent β is found to be much larger for the film on glass substrate (0.48 ± 0.07) as compared to that on Si substrate (0.21 ± 0.08), which may be due to the high step-edge barrier, so-calledmore » Ehrlich-Schwöbel barrier, resulting in the upward dominant growth on glass substrate. From the 2D fast Fourier transform of AFM images and derived scaling exponents, we conclude that the surface evolution follows a mound like growth. These results imply the superiority of glass substrate over the Si substrate for the growth of device quality SnCl{sub 2}Pc thin film.« less

Effect of inhomogeneous Schottky barrier height of SnO2 nanowires device

NASA Astrophysics Data System (ADS)

Amorim, Cleber A.; Bernardo, Eric P.; Leite, Edson R.; Chiquito, Adenilson J.

2018-05-01

The current–voltage (I–V) characteristics of metal–semiconductor junction (Au–Ni/SnO2/Au–Ni) Schottky barrier in SnO2 nanowires were investigated over a wide temperature range. By using the Schottky–Mott model, the zero bias barrier height Φ B was estimated from I–V characteristics, and it was found to increase with increasing temperature; on the other hand the ideality factor (n) was found to decrease with increasing temperature. The variation in the Schottky barrier and n was attributed to the spatial inhomogeneity of the Schottky barrier height. The experimental I–V characteristics exhibited a Gaussian distribution having mean barrier heights {\\overline{{{Φ }}}}B of 0.30 eV and standard deviation σ s of 60 meV. Additionally, the Richardson modified constant was obtained to be 70 A cm‑2 K‑2, leading to an effective mass of 0.58m 0. Consequently, the temperature dependence of I–V characteristics of the SnO2 nanowire devices can be successfully explained on the Schottky–Mott theory framework taking into account a Gaussian distribution of barrier heights.

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

Simulation study of free-energy barriers in the wetting transition of an oily fluid on a rough surface with reentrant geometry.

PubMed

Savoy, Elizabeth S; Escobedo, Fernando A

2012-11-20

When in contact with a rough solid surface, fluids with low surface tension, such as oils and alkanes, have their lowest free energy in the fully wetted state. For applications where nonwetting by these phillic fluids is desired, some barrier must be introduced to maintain the nonwetted composite state. One way to create this free-energy barrier is to fabricate roughness with reentrant geometry, but the question remains as to whether the free-energy barrier is sufficiently high to prevent wetting. Our goal is to quantify the free-energy landscape for the wetting transition of an oily fluid on a surface of nails and identify significant surface features and conditions that maximize the wetting free-energy barrier (ΔGfwd*). This is a departure from most work on wetting, which focuses on the equilibrium composite and wetted states. We use boxed molecular dynamics (BXD) (Glowacki, D. R.; Paci, E.; Shalashilin, D. V. J. Phys. Chem. B2009, 113, 16603-16611) with a modified control scheme to evaluate both the thermodynamics and kinetics of the transition over a range of surface affinities (chemistry). We find that the reentrant geometry of the nails does create a free-energy barrier to transition for phillic chemistry whereas a corresponding system on straight posts wets spontaneously and, that doubling the nail height more than doubles ΔGfwd*. For neutral to phillic chemistry, the dewetting free-energy barrier is at least an order of magnitude higher than that for wetting, indicating an essentially irreversible wetting transition. Transition rates from BXD simulations and the associated trends agree well with those in our previous study that used forward flux sampling to compute transition rates for similar systems.

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

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.

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.

A new ab initio potential energy surface of LiClH (1A') system and quantum dynamics calculation for Li + HCl (v = 0, j = 0-2) → LiCl + H reaction

NASA Astrophysics Data System (ADS)

Tan, Rui Shan; Zhai, Huan Chen; Yan, Wei; Gao, Feng; Lin, Shi Ying

2017-04-01

A new ab initio potential energy surface (PES) for the ground state of Li + HCl reactive system has been constructed by three-dimensional cubic spline interpolation of 36 654 ab initio points computed at the MRCI+Q/aug-cc-pV5Z level of theory. The title reaction is found to be exothermic by 5.63 kcal/mol (9 kcal/mol with zero point energy corrections), which is very close to the experimental data. The barrier height, which is 2.99 kcal/mol (0.93 kcal/mol for the vibrationally adiabatic barrier height), and the depth of van der Waals minimum located near the entrance channel are also in excellent agreement with the experimental findings. This study also identified two more van der Waals minima. The integral cross sections, rate constants, and their dependence on initial rotational states are calculated using an exact quantum wave packet method on the new PES. They are also in excellent agreement with the experimental measurements.

Temperature dependent current transport of Pd/ZnO nanowire Schottky diodes

NASA Astrophysics Data System (ADS)

Gayen, R. N.; Bhattacharyya, S. R.; Jana, P.

2014-09-01

Zinc oxide (ZnO) nanowire based Schottky barrier diodes are fabricated by depositing Pd metal contact on top of vertically well-aligned ZnO nanowire arrays. A vertical array of ZnO nanowires on indium tin oxide (ITO) coated glass substrates is synthesized by hybrid wet chemical route. Scanning electron microscopy (SEM), x-ray diffraction (XRD) and x-ray photoelectron spectroscopy (XPS) measurement confirm the formation of stoichiometric well-aligned hexagonal (h-ZnO) nanowire arrays with wurtzite structure. Temperature dependent current-voltage (I-V) measurements on palladium-ZnO (Pd/ZnO) nanowire Schottky junctions in the temperature range 303-383 K exhibit excellent rectifying character. From these nonlinear I-V plots, different electrical parameters of diode-like reverse saturation current, barrier height and ideality factor are determined as a function of temperature assuming pure thermionic emission model. The ideality factor is found to decrease while the barrier height increases with the increase in temperature. The series resistance values calculated from Cheung’s functions also show temperature dependency. Such behavior can be attributed to the presence of defects that traps carriers, and barrier height inhomogeneity at the interface of the barrier junction. After barrier height inhomogeneity correction, considering a Gaussian distributed barrier height fluctuation across the Pd/ZnO interface, the estimated values of mean barrier height and modified Richardson constant are more closely matched to the theoretically predicted value for Pd/ZnO Schottky barrier diodes. The variation of density of interface states as a function of interface state energy is also calculated.

Temperature dependence of current-and capacitance-voltage characteristics of an Au/4H-SiC Schottky diode

NASA Astrophysics Data System (ADS)

Gülnahar, Murat

2014-12-01

In this study, the current-voltage (I-V) and capacitance-voltage (C-V) measurements of an Au/4H-SiC Schottky diode are characterized as a function of the temperature in 50-300 K temperature range. The experimental parameters such as ideality factor and apparent barrier height presents to be strongly temperature dependent, that is, the ideality factor increases and the apparent barrier height decreases with decreasing temperature, whereas the barrier height values increase with the temperature for C-V data. Likewise, the Richardson plot deviates at low temperatures. These anomaly behaviors observed for Au/4H-SiC are attributed to Schottky barrier inhomogeneities. The barrier anomaly which relates to interface of Au/4H-SiC is also confirmed by the C-V measurements versus the frequency measured in 300 K and it is interpreted by both Tung's lateral inhomogeneity model and multi-Gaussian distribution approach. The values of the weighting coefficients, standard deviations and mean barrier height are calculated for each distribution region of Au/4H-SiC using the multi-Gaussian distribution approach. In addition, the total effective area of the patches NAe is obtained at separate temperatures and as a result, it is expressed that the low barrier regions influence meaningfully to the current transport at the junction. The homogeneous barrier height value is calculated from the correlation between the ideality factor and barrier height and it is noted that the values of standard deviation from ideality factor versus q/3kT curve are in close agreement with the values obtained from the barrier height versus q/2kT variation. As a result, it can be concluded that the temperature dependent electrical characteristics of Au/4H-SiC can be successfully commented on the basis of the thermionic emission theory with both models.

Explanation of the barrier heights of graphene Schottky contacts by the MIGS-and-electronegativity concept

NASA Astrophysics Data System (ADS)

Mönch, Winfried

2016-09-01

Graphene-semiconductor contacts exhibit rectifying properties and, in this respect, they behave in exactly the same way as a "conventional" metal-semiconductor or Schottky contacts. It will be demonstrated that, as often assumed, the Schottky-Mott rule does not describe the reported barrier heights of graphene-semiconductor contacts. With "conventional" Schottky contacts, the same conclusion was reached already in 1940. The physical reason is that the Schottky-Mott rule considers no interaction between the metal and the semiconductor. The barrier heights of "conventional" Schottky contacts were explained by the continuum of metal-induced gap states (MIGSs), where the differences of the metal and semiconductor electronegativities describe the size and the sign of the intrinsic electric-dipoles at the interfaces. It is demonstrated that the MIGS-and-electronegativity concept unambiguously also explains the experimentally observed barrier heights of graphene Schottky contacts. This conclusion includes also the barrier heights reported for MoS2 Schottky contacts with "conventional" metals as well as with graphene.

Dwell time, Hartman effect and transport properties in a ferromagnetic phosphorene monolayer

NASA Astrophysics Data System (ADS)

Hedayati Kh, Hamed; Faizabadi, Edris

2018-02-01

In this paper, spin-dependent dwell time, spin Hartman effect and spin-dependent conductance were theoretically investigated through a rectangular barrier in the presence of an exchange field by depositing a ferromagnetic insulator on the phosphorene layer in the barrier region. The existence of the spin Hartman effect was shown for all energies (energies lower than barrier height) and all incident angles in phosphorene. We also compared our results of the dwell time in the phosphorene structure with similar research performed on graphene. We reported a significant difference between the tunneling time values of incident quasiparticles with spin-up and spin-down. We found that the barrier was almost transparent for incident quasiparticles with a wide range of incident angles and energies higher than the barrier height in phosphorene. We also found that the maximum spin-dependent transmission probability for energies higher than barrier height does not necessarily occur in the zero incident angle. In addition, we showed that the spin conductance for energies higher (lower) than barrier height fluctuates (decays) in terms of barrier thickness. We discovered that, in contrast to graphene, the Klein paradox does not occur in the normal incident in the phosphorene structure. Furthermore, the results demonstrated the achievement of good total conductance at certain thicknesses of the barrier for energies higher than the barrier height. This study could serve as a basis for investigations of the basic physics of tunneling mechanisms and also for using phosphorene as a spin polarizer in designing nanoelectronic devices.

Dwell time, Hartman effect and transport properties in a ferromagnetic phosphorene monolayer.

PubMed

Hedayati Kh, Hamed; Faizabadi, Edris

2018-02-28

In this paper, spin-dependent dwell time, spin Hartman effect and spin-dependent conductance were theoretically investigated through a rectangular barrier in the presence of an exchange field by depositing a ferromagnetic insulator on the phosphorene layer in the barrier region. The existence of the spin Hartman effect was shown for all energies (energies lower than barrier height) and all incident angles in phosphorene. We also compared our results of the dwell time in the phosphorene structure with similar research performed on graphene. We reported a significant difference between the tunneling time values of incident quasiparticles with spin-up and spin-down. We found that the barrier was almost transparent for incident quasiparticles with a wide range of incident angles and energies higher than the barrier height in phosphorene. We also found that the maximum spin-dependent transmission probability for energies higher than barrier height does not necessarily occur in the zero incident angle. In addition, we showed that the spin conductance for energies higher (lower) than barrier height fluctuates (decays) in terms of barrier thickness. We discovered that, in contrast to graphene, the Klein paradox does not occur in the normal incident in the phosphorene structure. Furthermore, the results demonstrated the achievement of good total conductance at certain thicknesses of the barrier for energies higher than the barrier height. This study could serve as a basis for investigations of the basic physics of tunneling mechanisms and also for using phosphorene as a spin polarizer in designing nanoelectronic devices.

Investigation of significantly high barrier height in Cu/GaN Schottky diode

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

Garg, Manjari, E-mail: meghagarg142@gmail.com; Kumar, Ashutosh; Singh, R.

2016-01-15

Current-voltage (I-V) measurements combined with analytical calculations have been used to explain mechanisms for forward-bias current flow in Copper (Cu) Schottky diodes fabricated on Gallium Nitride (GaN) epitaxial films. An ideality factor of 1.7 was found at room temperature (RT), which indicated deviation from thermionic emission (TE) mechanism for current flow in the Schottky diode. Instead the current transport was better explained using the thermionic field-emission (TFE) mechanism. A high barrier height of 1.19 eV was obtained at room temperature. X-ray photoelectron spectroscopy (XPS) was used to investigate the plausible reason for observing Schottky barrier height (SBH) that is significantlymore » higher than as predicted by the Schottky-Mott model for Cu/GaN diodes. XPS measurements revealed the presence of an ultrathin cuprous oxide (Cu{sub 2}O) layer at the interface between Cu and GaN. With Cu{sub 2}O acting as a degenerate p-type semiconductor with high work function of 5.36 eV, a high barrier height of 1.19 eV is obtained for the Cu/Cu{sub 2}O/GaN Schottky diode. Moreover, the ideality factor and barrier height were found to be temperature dependent, implying spatial inhomogeneity of barrier height at the metal semiconductor interface.« less

Using Seasonal Forecasting Data for Vessel Routing

NASA Astrophysics Data System (ADS)

Bell, Ray; Kirtman, Ben

2017-04-01

We present an assessment of seasonal forecasting of surface wind speed, significant wave height and ocean surface current speed in the North Pacific for potential use of vessel routing from Singapore to San Diego. WaveWatchIII is forced with surface winds and ocean surface currents from the Community Climate System Model 4 (CCSM4) retrospective forecasts for the period of 1982-2015. Several lead time forecasts are used from zero months to six months resulting in 2,720 model years, ensuring the findings from this study are robust. July surface wind speed and significant wave height can be skillfully forecast with a one month lead time, with the western North Pacific being the most predictable region. Beyond May initial conditions (lead time of two months) the El Niño Southern Oscillation (ENSO) Spring predictability barrier limits skill of significant wave height but there is skill for surface wind speed with January initial conditions (lead time of six months). In a separate study of vessel routing between Norfolk, Virginia and Gibraltar we demonstrate the benefit of a multimodel approach using the North American Multimodel Ensemble (NMME). In collaboration with Charles River Analytics an all-encompassing forecast is presented by using machine learning on the various ensembles which can be using used for industry applications.

Climbing ability of teneral and sclerotized adult bed bugs and assessment of adhesive properties of the exoskeletal fluid using atomic force microscopy.

PubMed

Hinson, Kevin R; Reukov, Vladimir; Benson, Eric P; Zungoli, Patricia A; Bridges, William C; Ellis, Brittany R; Song, Jinbo

2017-01-01

We observed that teneral adults (<1 h post-molt) of Cimex lectularius L. appeared more adept at climbing a smooth surface compared to sclerotized adults. Differences in climbing ability on a smooth surface based on sclerotization status were quantified by measuring the height to which bed bugs climbed when confined within a glass vial. The average maximum height climbed by teneral (T) bed bugs (n = 30, height climbed = 4.69 cm) differed significantly (P< 0.01) from recently sclerotized (RS) bed bugs (n = 30, height climbed = 1.73 cm at ~48 h post molt), sclerotized group 1 (S1) bed bugs (n = 30, S1 = 2.42 cm at >72 h), and sclerotized group 2 (S2) bed bugs (n = 30, height climbed = 2.64 cm at >72 h post molt). When heights from all climbing events were summed, teneral bed bugs (650.8 cm climbed) differed significantly (P< 0.01) from recently sclerotized (82 cm climbed) and sclerotized (group 1 = 104.6 cm climbed, group 2 = 107.8 cm climbed) bed bugs. These findings suggested that the external surface of teneral bed bug exoskeletons possess an adhesive property. Using atomic force microscopy (AFM), we found that adhesion force of an exoskeletal (presumably molting) fluid decreased almost five-fold from 88 to 17 nN within an hour of molting. Our findings may have implications for laboratory safety and the effectiveness of bed bug traps, barriers, and biomimetic-based adhesives.

Transport spectroscopy of low disorder silicon tunnel barriers with and without Sb implants

DOE PAGES

Shirkhorshidian, A.; Bishop, N. C.; Dominguez, J.; ...

2015-04-30

We present transport measurements of silicon MOS split gate structures with and without Sb implants. We observe classical point contact (PC) behavior that is free of any pronounced unintentional resonances at liquid He temperatures. The implanted device has resonances superposed on the PC transport indicative of transport through the Sb donors. We fit the differential conductance to a rectangular tunnel barrier model with a linear barrier height dependence on source–drain voltage and non-linear dependence on gate bias. Effects such as Fowler–Nordheim (FN) tunneling and image charge barrier lowering (ICBL) are considered. Barrier heights and widths are estimated for the entiremore » range of relevant biases. The barrier heights at the locations of some of the resonances for the implanted tunnel barrier are between 15–20 meV, which are consistent with transport through shallow partially hybridized Sb donors. The dependence of width and barrier height on gate voltage is found to be linear over a wide range of gate bias in the split gate geometry but deviates considerably when the barrier becomes large and is not described completely by standard 1D models such as FN or ICBL effects.« less

Mechanism of nucleation and growth of catalyst-free self-organized GaN columns by MOVPE

NASA Astrophysics Data System (ADS)

Wang, Xue; Li, Shunfeng; Fündling, Sönke; Wehmann, Hergo-H.; Strassburg, Martin; Lugauer, Hans-Jürgen; Steegmüller, Ulrich; Waag, Andreas

2013-05-01

The growth mechanism of catalyst-free self-organized GaN nuclei and three-dimensional columns on sapphire by metal organic vapour phase epitaxy (MOVPE) is investigated. Temperature- and time-dependent growth is performed. The growth behaviour can be characterized by two different kinetic regimes: mass-transport-limited growth and thermodynamically limited growth. The sum of activation energies for thermodynamic barrier of nucleation and for surface diffusion/mass-transport limitation, i.e. Whet +Ed, is 0.57 eV in the ‘low’-temperature region and 2.43 eV in the ‘high’-temperature region. GaN columns grown under the same conditions have very comparable height, which is not dependent on their diameter or the distance to other columns. Therefore, the growth rate is presumably limited by the incorporation rate on the top surface of columns. The height and diameter at the top of the GaN columns increase linearly with time and no height limit is observed. The GaN columns can reach more than 40 µm in height. Moreover, the investigated GaN columns are Ga-polar.

Identification of a barrier height threshold where brook trout population genetic diversity, differentiation, and relatedness are affected

Treesearch

Anne Timm; Eric Hallerman; Andy Dolloff; Mark Hudy; Randall Kolka

2016-01-01

The overall goal of the study was to evaluate effects of landscape features, barriers, on Brook Trout Salvelinus fontinalis population genetics and to identify a potential barrier height threshold where genetic diversity was reduced upstream of the barrier and differentiation and relatedness increase. We screened variation at eight...

Recent Vertical External Cavity Surface Emitting Lasers (VECSELs) Developments for Sensor Applications (POSTPRINT)

DTIC Science & Technology

2013-02-01

edge-emitting strained InxGa1−xSb/AlyGa1−ySb quantum well struc- tures using solid-source molecular beam epitaxy (MBE) with varying barrier heights...intersubband quantum wells. The most common high-power edge-emitting semiconductor lasers suffter from poor beam quality, due primarily to the linewidth...reduces the power scalability of semiconductor lasers. In vertical cavity surface emitting lasers ( VCSELs ), light propagates parallel to the growth

Calculations and measurements of contact resistance of semi-transparent Ni/Pd contacts to p-GaN.

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

Crofton, John; Bogart, Katherine Huderle Andersen

2005-06-01

Calculations of specific contact resistance as a function of doping and barrier height were performed for p-type GaN. These calculations took into account two valence bands, each with different effective masses, and show that at low doping, the heavy hole band accounts for most of the conduction, whereas at heavier doping, the light hole band dominates conduction. These calculations also indicate the barrier height for typical contacts to p-GaN is between 0.75 eV and 1 eV. Specific contact resistance measurements were made for oxidized Ni/Au, Pd, and oxidized Ni/Pd ohmic contact metal schemes to p-GaN. The Ni/Pd contact had themore » lowest specific contact resistance, 6 x 10{sup -4} {Omega} cm{sup 2}. Auger sputter depth profile analysis showed some Ni diffused away from the GaN surface to the contact surface with the bulk of the Pd located in between two areas of Ni. Both Ni and Pd interdiffused with the GaN at the semiconductor surface. The majority of the oxygen observed was with the Ni as NiO. Angle-resolved-x-ray photoelectron spectroscopy (AR-XPS) analyses showed the formation of predominantly NiO and PdO species, with higher Ni and Pd oxides at the contact surface.« less

Effects of Post Annealing on I-V-T Characteristics of (Ni/Au)/Al0.09Ga0.91N Schottky Barrier Diodes

NASA Astrophysics Data System (ADS)

Akkaya, Abdullah; Ayyıldız, Enise

2016-04-01

Post annealing is a simple, effective and suitable method for improving the diode parameters, especially when the used chemically stable substrates like Si, III-N and ternary alloys. In our work, we were applied this method to (Ni/Au)/Al0.09Ga0.91N Schottky Barrier Diodes (SBDs) and investigated by temperature-dependent current-voltage (I-V-T) characteristics at optimum conditions. Optimum annealing temperature was 600°C, which it’s determined with respect to have a highest barrier height value. The temperature-dependent electrical characteristics of the annealed at 600°C (Ni/Au)/Al0.09Ga0.91N SBDs were investigated in the wide temperature range of 95-315K. The diode parameters such as ideality factor (n) and Schottky barrier height (Vb0) were obtained to be strongly temperature dependent. The observed variation in Vb0 and n can be attributed to the spatial barrier inhomogeneities in Schottky barrier height by assuming a triple Gaussian distribution (TGD) of barrier heights (BHs) at 95-145K, 145-230K and 230-315K. The modified Richardson plots and T0 analysis was performed to provide an experimental Richardson constants and bias coefficients of the mean barrier height. Furthermore, the chemical composition of the contacts was examined by the XPS depth profile analysis.

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.

Barrier inhomogeneities and electronic transport of Pt contacts to relatively highly doped n-type 4H-SiC

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

Huang, Lingqin, E-mail: lqhuang@jsnu.edu.cn, E-mail: dwang121@dlut.edu.cn; Wang, Dejun, E-mail: lqhuang@jsnu.edu.cn, E-mail: dwang121@dlut.edu.cn

The barrier characteristics of Pt contacts to relatively highly doped (∼1 × 10{sup 18 }cm{sup −3}) 4H-SiC were investigated using current-voltage (I-V) and capacitance-voltage (C-V) measurements in the temperature range of 160–573 K. The barrier height and ideally factor estimated from the I-V characteristics based on the thermionic emission model are abnormally temperature-dependent, which can be explained by assuming the presence of a double Gaussian distribution (GD) of inhomogeneous barrier heights. However, in the low temperature region (160–323 K), the obtained mean barrier height according to GD is lower than the actual mean value from C-V measurement. The values of barrier height determined from themore » thermionic field emission model are well consistent with those from the C-V measurements, which suggest that the current transport process could be modified by electron tunneling at low temperatures.« less

Spatially inhomogeneous barrier height in graphene/MoS2 Schottky junctions

NASA Astrophysics Data System (ADS)

Tomer, Dushyant; Rajput, Shivani; Li, Lian

Graphene interfaced with a semiconductor forms a Schottky junction with rectifying properties. In this study, graphene Schottky junctions are fabricated by transferring CVD monolayer graphene on mechanically exfoliated MoS2 multilayers. The forward bias current-voltage characteristics are measured in the temperature range of 210-300 K. An increase in the zero bias barrier height and decrease in the ideality factor are observed with increasing temperature. Such behavior is attributed to Schottky barrier inhomogeneities possibly due to graphene ripples and ridges at the junction interface as suggested by atomic force microscopy. Assuming a Gaussian distribution of the barrier height, mean barrier of 0.97+/-0.10 eV is found for the graphene MoS2 junction. Our findings provide significant insight on the barrier height inhomogeneities in graphene/two dimensional semiconductor Schottky junctions. U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering Award No. DEFG02-07ER46228.

External electric field effects on Schottky barrier at Gd3N@C80/Au interface

NASA Astrophysics Data System (ADS)

Onishi, Koichi; Nakashima, Fumihiro; Jin, Ge; Eto, Daichi; Hattori, Hayami; Miyoshi, Noriko; Kirimoto, Kenta; Sun, Yong

2017-08-01

The effects of the external electric field on the height of the Schottky barrier at the Gd3N@C80/Au interface were studied by measuring current-voltage characteristics at various temperatures from 200 K to 450 K. The Gd3N@C80 sample with the conduction/forbidden/valence energy band structure had a face-centered cubic crystal structure with the average grain size of several nanometers. The height of the Gd3N@C80/Au Schottky barrier was confirmed to be 400 meV at a low electric field at room temperature. Moreover, the height decreases with the increasing external electric field through a change of permittivity in the Gd3N@C80 sample due to a polarization of the [Gd3] 9 +-[N3 -+("separators="|C80 ) 6 -] dipoles in the Gd3N@C80 molecule. The field-dependence of the barrier height can be described using a power math function of the electric field strength. The results of the field-dependent barrier height indicate that the reduction in the Schottky barrier is due to an image force effect of the transport charge carrier at the Gd3N@C80/Au interface.

Effects of changes in effective rail height on barrier performance. Volume 1, Research report

DOT National Transportation Integrated Search

1987-04-01

The objective of this project was to determine the critical rail mounting heights to prevent underride and override for traffic barriers. W-beam guardrails, which are the most commonly specified barrier in the U. S., were used to develop criteria for...

Structural Consequences of Hydrogen Intercalation of Epitaxial Graphene on SiC(0001)

DTIC Science & Technology

2014-10-23

in barrier height at the graphene –silicon carbide Schottky junction,” Nat. Commun. 4, 2752 (2013). 31H. Yang, J. Heo, S. Park, H. J. Song, D. H. Seo, K...displacement. The shift of the Dirac point defines the Schottky barrier height and will determine the practicality of employing the wide-bandgap...are thought to critically influence technologi- cally relevant properties such as Dirac point shift and Schottky barrier height . Furthermore, this

Control of tunnel barriers in multi-wall carbon nanotubes using focused ion beam irradiation

NASA Astrophysics Data System (ADS)

Tomizawa, H.; Suzuki, K.; Yamaguchi, T.; Akita, S.; Ishibashi, K.

2017-04-01

We have formed tunnel barriers in individual multi-wall carbon nanotubes using the Ga focused ion beam irradiation. The barrier height was estimated by the temperature dependence of the current (Arrhenius plot) and the current-voltage curves (Fowler-Nordheim plot). It is shown that the barrier height has a strong correlation with the barrier resistance that is controlled by the dose. Possible origins for the variation in observed barrier characteristics are discussed. Finally, the single electron transistor with two barriers is demonstrated.

The determination of modified barrier heights in Ti/GaN nano-Schottky diodes at high temperature.

PubMed

Lee, Seung-Yong; Kim, Tae-Hong; Chol, Nam-Kyu; Seong, Han-Kyu; Choi, Heon-Jin; Ahn, Byung-Guk; Lee, Sang-Kwon

2008-10-01

We have investigated the size-effect of the nano-Schottky diodes on the electrical transport properties and the temperature-dependent current transport mechanism in a metal-semiconductor nanowire junction (a Ti/GaN nano-Schottky diode) using current-voltage characterization in the range of 300-423 K. We found that the modified mean Schottky barrier height (SBH) was approximately 0.7 eV with a standard deviation of approximately 0.14 V using a Gaussian distribution model of the barrier heights. The slightly high value of the modified mean SBH (approximately 0.11 eV) compared to the results from the thin-film based Ti/GaN Schottky diodes could be due to an additional oxide layer at the interface between the Ti and GaN nanowires. Moreover, we found that the abnormal behavior of the barrier heights and the ideality factors in a Ti/GaN nano-Schottky diode at a temperature below 423 K could be explained by a combination of the enhancement of the tunneling current and a model with a Gaussian distribution of the barrier heights.

Temperature dependent electrical transport behavior of InN/GaN heterostructure based Schottky diodes

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

Roul, Basanta; Kumar, Mahesh; Central Research Laboratory, Bharat Electronics, Bangalore 560013

InN/GaN heterostructure based Schottky diodes were fabricated by plasma-assisted molecular beam epitaxy. The temperature dependent electrical transport properties were carried out for InN/GaN heterostructure. The barrier height and the ideality factor of the Schottky diodes were found to be temperature dependent. The temperature dependence of the barrier height indicates that the Schottky barrier height is inhomogeneous in nature at the heterostructure interface. The higher value of the ideality factor and its temperature dependence suggest that the current transport is primarily dominated by thermionic field emission (TFE) other than thermionic emission (TE). The room temperature barrier height obtained by using TEmore » and TFE models were 1.08 and 1.43 eV, respectively.« less

Temperature dependent current-voltage characteristics of Au/n-Si Schottky barrier diodes and the effect of transition metal oxides as an interface layer

NASA Astrophysics Data System (ADS)

Mahato, Somnath; Puigdollers, Joaquim

2018-02-01

Temperature dependent current-voltage (I‒V) characteristics of Au/n-type silicon (n-Si) Schottky barrier diodes have been investigated. Three transition metal oxides (TMO) are used as an interface layer between gold and silicon. The basic Schottky diode parameters such as ideality factor (n), barrier height (ϕb 0) and series resistance (Rs) are calculated and successfully explained by the thermionic emission (TE) theory. It has been found that ideality factor decreased and barrier height increased with increased of temperature. The conventional Richardson plot of ln(I0/T2) vs. 1000/T is determined the activation energy (Ea) and Richardson constant (A*). Whereas value of 'A*' is much smaller than the known theoretical value of n-type Si. The temperature dependent I-V characteristics obtained the mean value of barrier height (ϕb 0 bar) and standard deviation (σs) from the linear plot of ϕap vs. 1000/T. From the modified Richardson plot of ln(I0/T2) ˗ (qσ)2/2(kT)2 vs. 1000/T gives Richardson constant and homogeneous barrier height of Schottky diodes. Main observation in this present work is the barrier height and ideality factor shows a considerable change but the series resistance value exhibits negligible change due to TMO as an interface layer.

Correlation between morphological defects, electron beam-induced current imaging, and the electrical properties of 4H-SiC Schottky diodes

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

Wang, Y.; Ali, G.N.; Mikhov, M.K.

2005-01-01

Defects in SiC degrade the electrical properties and yield of devices made from this material. This article examines morphological defects in 4H-SiC and defects visible in electron beam-induced current (EBIC) images and their effects on the electrical characteristics of Schottky diodes. Optical Nomarski microscopy and atomic force microscopy were used to observe the morphological defects, which are classified into 26 types based on appearance alone. Forward and reverse current-voltage characteristics were used to extract barrier heights, ideality factors, and breakdown voltages. Barrier heights decrease about linearly with increasing ideality factor, which is explained by discrete patches of low barrier heightmore » within the main contact. Barrier height, ideality, and breakdown voltage all degrade with increasing device diameter, suggesting that discrete defects are responsible. Electroluminescence was observed under reverse bias from microplasmas associated with defects containing micropipes. EBIC measurements reveal several types of features corresponding to recombination centers. The density of dark spots observed by EBIC correlates strongly with ideality factor and barrier height. Most morphological defects do not affect the reverse characteristics when no micropipes are present, but lower the barrier height and worsen the ideality factor. However, certain multiple-tailed defects, irregularly shaped defects and triangular defects with 3C inclusions substantially degrade both breakdown voltage and barrier height, and account for most of the bad devices that do not contain micropipes. Micropipes in these wafers are also frequently found to be of Type II, which do not run parallel to the c axis.« less

Correlation Between Morphological Defects, Electron Beam Induced Current Imaging, and the Electrical Properties of 4H-SiC Schottky Diodes

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

Wang,Y.; Ali, G.; Mikhov, M.

2005-01-01

Defects in SiC degrade the electrical properties and yield of devices made from this material. This article examines morphological defects in 4H-SiC and defects visible in electron beam-induced current (EBIC) images and their effects on the electrical characteristics of Schottky diodes. Optical Nomarski microscopy and atomic force microscopy were used to observe the morphological defects, which are classified into 26 types based on appearance alone. Forward and reverse current-voltage characteristics were used to extract barrier heights, ideality factors, and breakdown voltages. Barrier heights decrease about linearly with increasing ideality factor, which is explained by discrete patches of low barrier heightmore » within the main contact. Barrier height, ideality, and breakdown voltage all degrade with increasing device diameter, suggesting that discrete defects are responsible. Electroluminescence was observed under reverse bias from microplasmas associated with defects containing micropipes. EBIC measurements reveal several types of features corresponding to recombination centers. The density of dark spots observed by EBIC correlates strongly with ideality factor and barrier height. Most morphological defects do not affect the reverse characteristics when no micropipes are present, but lower the barrier height and worsen the ideality factor. However, certain multiple-tailed defects, irregularly shaped defects and triangular defects with 3C inclusions substantially degrade both breakdown voltage and barrier height, and account for most of the bad devices that do not contain micropipes. Micropipes in these wafers are also frequently found to be of Type II, which do not run parallel to the c axis.« less

Climbing ability of teneral and sclerotized adult bed bugs and assessment of adhesive properties of the exoskeletal fluid using atomic force microscopy

PubMed Central

Zungoli, Patricia A.; Bridges, William C.; Ellis, Brittany R.; Song, Jinbo

2017-01-01

We observed that teneral adults (<1 h post-molt) of Cimex lectularius L. appeared more adept at climbing a smooth surface compared to sclerotized adults. Differences in climbing ability on a smooth surface based on sclerotization status were quantified by measuring the height to which bed bugs climbed when confined within a glass vial. The average maximum height climbed by teneral (T) bed bugs (n = 30, height climbed = 4.69 cm) differed significantly (P< 0.01) from recently sclerotized (RS) bed bugs (n = 30, height climbed = 1.73 cm at ~48 h post molt), sclerotized group 1 (S1) bed bugs (n = 30, S1 = 2.42 cm at >72 h), and sclerotized group 2 (S2) bed bugs (n = 30, height climbed = 2.64 cm at >72 h post molt). When heights from all climbing events were summed, teneral bed bugs (650.8 cm climbed) differed significantly (P< 0.01) from recently sclerotized (82 cm climbed) and sclerotized (group 1 = 104.6 cm climbed, group 2 = 107.8 cm climbed) bed bugs. These findings suggested that the external surface of teneral bed bug exoskeletons possess an adhesive property. Using atomic force microscopy (AFM), we found that adhesion force of an exoskeletal (presumably molting) fluid decreased almost five-fold from 88 to 17 nN within an hour of molting. Our findings may have implications for laboratory safety and the effectiveness of bed bug traps, barriers, and biomimetic-based adhesives. PMID:29244819

Quantal Study of the Exchange Reaction for N + N2 using an ab initio Potential Energy Surface

NASA Technical Reports Server (NTRS)

Wang, Dunyou; Stallcop, James R.; Huo, Winifred M.; Dateo, Christopher E.; Schwenke, David W.; Partridge, Harry; Kwak, Dochan (Technical Monitor)

2002-01-01

The N + N2 exchange rate is calculated using a time-dependent quantum dynamics method on a newly determined ab initio potential energy surface (PES) for the ground A" state. This ab initio PES shows a double barrier feature in the interaction region with the barrier height at 47.2 kcal/mol, and a shallow well between these two barriers, with the minimum at 43.7 kcal/mol. A quantum dynamics wave packet calculation has been carried out using the fitted PES to compute the cumulative reaction probability for the exchange reaction of N + N2(J=O). The J - K shift method is then employed to obtain the rate constant for this reaction. The calculated rate constant is compared with experimental data and a recent quasi-classical calculation using a LEPS PES. Significant differences are found between the present and quasiclassical results. The present rate calculation is the first accurate 3D quantal dynamics study for N + N2 reaction system and the ab initio PES reported here is the first such surface for N3.

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.

Correlation between amplitude of spin accumulation signals investigated by Hanle effect measurement and effective junction barrier height in CoFe/MgO/n{sup +}-Si junctions

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

Saito, Y., E-mail: yoshiaki.saito@toshiba.co.jp; Ishikawa, M.; Sugiyama, H.

2015-05-07

Correlation between the amplitude of the spin accumulation signals and the effective barrier height estimated from the slope of the log (RA) - t{sub MgO} plot (RA: resistance area product, t{sub MgO}: thickness of MgO tunnel barrier) in CoFe/MgO/n{sup +}-Si junctions was investigated. The amplitude of spin accumulation signals increases with increasing effective barrier heights. This increase of the amplitude of spin accumulation is originated from the increase of the spin polarization (P{sub Si}) in Si. The estimated absolute values of P{sub Si} using three-terminal Hanle signals are consistent with those estimated by four-terminal nonlocal-magnetoresistance (MR) and two-terminal local-MR. Tomore » demonstrate large spin accumulation in Si bulk band and enhance the local-MR through Si channel, these results indicate that the increase of the effective barrier height at ferromagnet/(tunnel barrier)/n{sup +}-Si junction electrode is important.« less

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.

Morphology, stoichiometry, and crystal structure control via post-annealing for Pt-ZnO nanograin Schottky barrier interfaces

NASA Astrophysics Data System (ADS)

Chan, Yuet Ching; Yu, Jerry; Ho, Derek

2018-06-01

Nanointerfaces have attracted intensive research effort for advanced electronics due to their unique and tunable semiconducting properties made possible by metal-contacted oxide structures at the nanoscale. Although much work has been on the adjustment of fabrication parameters to achieve high-quality interfaces, little work has experimentally obtained the various correlations between material parameters and Schottky barrier electronic properties to accurately probe the underlying phenomenon. In this work, we investigate the control of Pt-ZnO nanograin interfaces properties by thermal annealing. Specifically, we quantitatively analyze the correlation between material parameters (such as surface morphology, crystallographic structure, and stoichiometry) and Schottky diode parameters (Schottky barrier height, ideality factor, and contact resistance). Results revealed strong dependencies of Schottky barrier characteristics on oxygen vacancies, surface roughness, grain density, d-spacing, and crystallite size. I-V-T data shows that annealing at 600 °C produces a nanograin based interface with the most rectifying diode characteristics. These dependencies, which have not been previously reported holistically, highlight the close relationship between material properties and Schottky barrier characteristics, and are instrumental for the performance optimization of nanostructured metal-semiconductor interfaces in advanced electronic devices.

Spatial inhomogeneity in Schottky barrier height at graphene/MoS2 Schottky junctions

NASA Astrophysics Data System (ADS)

Tomer, D.; Rajput, S.; Li, L.

2017-04-01

Transport properties of graphene semiconductor Schottky junctions strongly depend on interfacial inhomogeneities due to the inherent formation of ripples and ridges. Here, chemical vapor deposited graphene is transferred onto multilayer MoS2 to fabricate Schottky junctions. These junctions exhibit rectifying current-voltage behavior with the zero bias Schottky barrier height increases and ideality factor decreases with increasing temperature between 210 and 300 K. Such behavior is attributed to the inhomogeneous interface that arises from graphene ripples and ridges, as revealed by atomic force and scanning tunneling microscopy imaging. Assuming a Gaussian distribution of the barrier height, a mean value of 0.96  ±  0.14 eV is obtained. These findings indicate a direct correlation between temperature dependent Schottky barrier height and spatial inhomogeneity in graphene/2D semiconductor Schottky junctions.

Parameterization of fission barrier heights of medium, heavy and super heavy nuclei

NASA Astrophysics Data System (ADS)

Manjunatha, H. C.

2017-12-01

A new semi empirical formula is proposed for fission barrier heights of medium, heavy and super heavy nuclei in the atomic number region 50 ≤ Z ≤ 130. The fitting parameters for the proposed formula are obtained by making a polynomial fit to the available theoretical and experimental data. The calculated fission barrier heights are compared with that of experiments and other theoretical models such as SHF(SLy6) (Burvenich et al. in Phys Rev C 69:014307, 2004), SHFB(SkM) (Baran et al. in Nucl Phys A 944:442, 2015), FRLDM (Möller et al. in Phys Rev C 79:064304, 2009), ETFSI (SkSC4) with Skyrme SkSC4 force (Mamdouh et al. in Nucl Phys A 679:337, 2001), WS (Kowal et al. in Phys Rev C 82:014303, 2010) and CDFT(DD-ME2) (Abusara et al. in Phys Rev C 85:024314, 2012). The standard deviation for fission barrier heights produced by present formula is evaluated. The good agreement of present formula with the experiments and other models suggests that the present formula could be used to evaluate the fission barrier heights of medium, heavy and super heavy nuclei in the region 50 ≤ Z ≤ 130. This formula is a first of its kind that produces fission barrier heights of 2858 nuclei with the only simple inputs of only neutron number (N), proton number (Z) and mass number (A).

Parameterization of fission barrier heights of medium, heavy and super heavy nuclei

NASA Astrophysics Data System (ADS)

Manjunatha, H. C.

2018-04-01

A new semi empirical formula is proposed for fission barrier heights of medium, heavy and super heavy nuclei in the atomic number region 50 ≤ Z ≤ 130. The fitting parameters for the proposed formula are obtained by making a polynomial fit to the available theoretical and experimental data. The calculated fission barrier heights are compared with that of experiments and other theoretical models such as SHF(SLy6) (Burvenich et al. in Phys Rev C 69:014307, 2004), SHFB(SkM) (Baran et al. in Nucl Phys A 944:442, 2015), FRLDM (Möller et al. in Phys Rev C 79:064304, 2009), ETFSI (SkSC4) with Skyrme SkSC4 force (Mamdouh et al. in Nucl Phys A 679:337, 2001), WS (Kowal et al. in Phys Rev C 82:014303, 2010) and CDFT(DD-ME2) (Abusara et al. in Phys Rev C 85:024314, 2012). The standard deviation for fission barrier heights produced by present formula is evaluated. The good agreement of present formula with the experiments and other models suggests that the present formula could be used to evaluate the fission barrier heights of medium, heavy and super heavy nuclei in the region 50 ≤ Z ≤ 130. This formula is a first of its kind that produces fission barrier heights of 2858 nuclei with the only simple inputs of only neutron number (N), proton number (Z) and mass number (A).

A model to non-uniform Ni Schottky contact on SiC annealed at elevated temperatures

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

Pristavu, G.; Brezeanu, G.; Badila, M.

2015-06-29

Ni Schottky contacts on SiC have a nonideal behavior, with strong temperature dependence of the electrical parameters, caused by a mixed barrier on the contact area and interface states. A simple analytical model that establishes a quantitative correlation between Schottky contact parameter variation with temperature and barrier height non-uniformity is proposed. A Schottky contact surface with double Schottky barrier is considered. The main model parameters are the lower barrier (Φ{sub Bn,l}) and a p factor which quantitatively evaluates the barrier non-uniformity on the Schottky contact area. The model is validated on Ni/4H-SiC Schottky contacts, post metallization sintered at high temperatures.more » The measured I{sub F}–V{sub F}–T characteristics, selected so as not to be affected by interface states, were used for model correlation. An inhomogeneous double Schottky barrier (with both nickel silicide and Ni droplets at the interface) is formed by a rapid thermal annealing (RTA) at 750 °C. High values of the p parameter are obtained from samples annealed at this temperature, using the proposed model. A significant improvement in the electrical properties occurs following RTA at 800 °C. The expansion of the Ni{sub 2}Si phase on the whole contact area is evinced by an X-Ray diffraction investigation. In this case, the p factor is much lower, attesting the uniformity of the contact. The model makes it possible to evaluate the real Schottky barrier, for a homogenous Schottky contact. Using data measured on samples annealed at 800 °C, a true barrier height of around 1.73 V has been obtained for Ni{sub 2}Si/4H-SiC Schottky contacts.« less

Current transport in Pd2Si/n-Si(100) Schottky barrier diodes at low temperatures

NASA Astrophysics Data System (ADS)

Chand, Subhash; Kumar, Jitendra

1996-08-01

The forward current-voltage ( I V) characteristics of Pd2Si/n-Si(100) Schottky barrier diodes are shown to follow the Thermionic Emission-Diffusion (TED) mechanism in the temperature range of 52-295 K. The evaluation of the experimental I V data reveals a decrease of the zero-bias barrier height (ϕ b0) and an increase of the ideality factor (η) with decreasing temperature. Further, the changes in ϕ b0 and η become quite significant below 148 K. It is demonstrated that the findings cannot be explained on the basis of tunneling, generation-recombination and/or image force lowering. Also, the concepts of flat band barrier height and “ T 0-effect” fail to account for the temperature dependence of the barrier parameters. The 1n( I s / T 2) vs 1/ T plot exhibits nonlinearity below 185 K with the linear portion corresponding to an activat ion energy of 0.64 eV, a value smaller than the zero-bias barrier height energy (0.735 eV) of Pd2Si/n-Si Schottky diodes. Similarly, the value of the effective Richardson constant A** turns out to be 1.17 × 104 A m-2 K-2 against the theoretical value of 1.12 × 106 A m-2 K-2. Finally, it is demonstrated that the observed trends result due to barrier height inhomogeneities prevailing at the interface which, in turn, cause extra current such that the I V characteristics continue to remain consistent with the TED process even at low temperatures. The inhomogeneities are believed to have a Gaussian distribution with a mean barrier height of 0.80 V and a standard deviation of 0.05 V at zero-bias. Also, the effect of bias is shown to homogenize barrier heights at a slightly higher mean value.

Debris flow impact estimation on a rigid barrier

NASA Astrophysics Data System (ADS)

Vagnon, Federico; Segalini, Andrea

2016-07-01

The aim of this paper is to analyse debris flow impact against rigid and undrained barrier in order to propose a new formulation for the estimation of acting force after the flow impact to safe design protection structures. For this reason, this work concentrates on the flow impact, by performing a series of small scale tests in a specifically created flume. Flow characteristics (flow height and velocity) and applied loads (dynamic and static) on barrier were measured using four ultrasonic devices, four load cells and a contact surface pressure gauge. The results obtained were compared with main existing models and a new equation is proposed. Furthermore, a brief review of the small scale theory was provided to analyse the scale effects that can affect the results.

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

PubMed Central

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

2005-01-01

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. PMID:15956189

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.

Atomically Thin Al2O3 Films for Tunnel Junctions

NASA Astrophysics Data System (ADS)

Wilt, Jamie; Gong, Youpin; Gong, Ming; Su, Feifan; Xu, Huikai; Sakidja, Ridwan; Elliot, Alan; Lu, Rongtao; Zhao, Shiping; Han, Siyuan; Wu, Judy Z.

2017-06-01

Metal-insulator-metal tunnel junctions are common throughout the microelectronics industry. The industry standard AlOx tunnel barrier, formed through oxygen diffusion into an Al wetting layer, is plagued by internal defects and pinholes which prevent the realization of atomically thin barriers demanded for enhanced quantum coherence. In this work, we employ in situ scanning tunneling spectroscopy along with molecular-dynamics simulations to understand and control the growth of atomically thin Al2O3 tunnel barriers using atomic-layer deposition. We find that a carefully tuned initial H2O pulse hydroxylated the Al surface and enabled the creation of an atomically thin Al2O3 tunnel barrier with a high-quality M -I interface and a significantly enhanced barrier height compared to thermal AlOx . These properties, corroborated by fabricated Josephson junctions, show that atomic-layer deposition Al2O3 is a dense, leak-free tunnel barrier with a low defect density which can be a key component for the next generation of metal-insulator-metal tunnel junctions.

Quantum dynamics of hydrogen atoms on graphene. II. Sticking.

PubMed

Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H; Burghardt, Irene; Martinazzo, Rocco

2015-09-28

Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (∼0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated.

Quantum dynamics of hydrogen atoms on graphene. II. Sticking

NASA Astrophysics Data System (ADS)

Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H.; Burghardt, Irene; Martinazzo, Rocco

2015-09-01

Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (˜0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated.

Characterization of the inhomogeneous barrier distribution in a Pt/(100)β-Ga2O3 Schottky diode via its temperature-dependent electrical properties

NASA Astrophysics Data System (ADS)

Jian, Guangzhong; He, Qiming; Mu, Wenxiang; Fu, Bo; Dong, Hang; Qin, Yuan; Zhang, Ying; Xue, Huiwen; Long, Shibing; Jia, Zhitai; Lv, Hangbing; Liu, Qi; Tao, Xutang; Liu, Ming

2018-01-01

β-Ga2O3 is an ultra-wide bandgap semiconductor with applications in power electronic devices. Revealing the transport characteristics of β-Ga2O3 devices at various temperatures is important for improving device performance and reliability. In this study, we fabricated a Pt/β-Ga2O3 Schottky barrier diode with good performance characteristics, such as a low ON-resistance, high forward current, and a large rectification ratio. Its temperature-dependent current-voltage and capacitance-voltage characteristics were measured at various temperatures. The characteristic diode parameters were derived using thermionic emission theory. The ideality factor n was found to decrease from 2.57 to 1.16 while the zero-bias barrier height Φb0 increased from 0.47 V to 1.00 V when the temperature was increased from 125 K to 350 K. This was explained by the Gaussian distribution of barrier height inhomogeneity. The mean barrier height Φ ¯ b0 = 1.27 V and zero-bias standard deviation σ0 = 0.13 V were obtained. A modified Richardson plot gave a Richardson constant A* of 36.02 A.cm-2.K-2, which is close to the theoretical value of 41.11 A.cm-2.K-2. The differences between the barrier heights determined using the capacitance-voltage and current-voltage curves were also in line with the Gaussian distribution of barrier height inhomogeneity.

Magnetic field induced suppression of the forward bias current in Bi2Se3/Si Schottky barrier diodes

NASA Astrophysics Data System (ADS)

Jin, Haoming; Hebard, Arthur

Schottky diodes formed by van der Waals bonding between freshly cleaved flakes of the topological insulator Bi2Se3 and doped silicon substrates show electrical characteristics in good agreement with thermionic emission theory. The motivation is to use magnetic fields to modulate the conductance of the topologically protected conducting surface state. This surface state in close proximity to the semiconductor surface may play an important role in determining the nature of the Schottky barrier. Current-voltage (I-V) and capacitance-voltage (C-V) characteristics were obtained for temperatures in the range 50-300 K and magnetic fields, both perpendicular and parallel to the interface, as high as 7 T. The I-V curve shows more than 6 decades linearity on semi-logarithmic plots, allowing extraction of parameters such as ideality (η), zero-voltage Schottky barrier height (SBH), and series resistance (Rs). In forward bias we observe a field-induced decrease in current which becomes increasingly more pronounced at higher voltages and lower temperature, and is found to be correlated with changes in Rs rather than other barrier parameters. A comparison of changes in Rs in both field direction will be made with magnetoresistance in Bi2Se3 transport measurement. The work is supported by NSF through DMR 1305783.

Interface state density of free-standing GaN Schottky diodes

NASA Astrophysics Data System (ADS)

Faraz, S. M.; Ashraf, H.; Imran Arshad, M.; Hageman, P. R.; Asghar, M.; Wahab, Q.

2010-09-01

Schottky diodes were fabricated on the HVPE-grown, free-standing gallium nitride (GaN) layers of n- and p-types. Both contacts (ohmic and Schottky) were deposited on the top surface using Al/Ti and Pd/Ti/Au, respectively. The Schottky diode fabricated on n-GaN exhibited double barriers with values of 0.9 and 0.6 eV and better performance in the rectification factor together with reverse and forward currents with an ideality factor of 1.8. The barrier height for the p-GaN Schottky diode is 0.6 eV with an ideality factor of 4.16. From the capacitance-voltage (C-V) measurement, the net doping concentration of n-GaN is 4 × 1017 cm-3, resulting in a lower reverse breakdown of around -12 V. The interface state density (NSS) as a function of EC-ESS is found to be in the range 4.23 × 1012-3.87 × 1011 eV-1 cm-2 (below the conduction band) from Ec-0.90 to EC-0.99. Possible reasons responsible for the low barrier height and high ideality factor have been addressed.

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

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.

Radical production efficiency and electrical characteristics of a coplanar barrier discharge built by multilayer ceramic technology

NASA Astrophysics Data System (ADS)

Jõgi, Indrek; Erme, Kalev; Levoll, Erik; Stamate, Eugen

2017-11-01

The present study investigated the electrical characteristics and radical production efficiency of a coplanar barrier discharge (CBD) device manufactured by Kyocera by multilayer ceramic technology. The device consisted of a number of linear electrodes with electrode and gap widths of 0.75 mm, immersed into a ceramic dielectric barrier. A closed flow-through system necessary for the measurements was prepared by placing a quartz plate at a height of 3 mm from the ceramic barrier. The production of nitrogen radicals was determined from the removal of a trace amount of NO in pure N2 gas, while the production of oxygen radicals was determined by ozone production in pure O2 or synthetic air. The production efficiency of N and O radicals and NO oxidation in synthetic air was comparable with the efficiency of a volume barrier discharge device. The power density per unit of surface area of the CBD device was more than two times larger than that of a similar volume barrier discharge setup, which makes the CBD device a compact alternative for gas treatment. The production of ozone and different nitrogen oxides was also evaluated for the open system of the CBD which is usable for surface treatment. The ozone concentration of this system was nearly independent from the input power, while the concentration of nitrogen oxides increased with input power. The open system of the CBD was additionally tested for the treatment of a silicon surface. An increase of applied power decreased the time required to reduce the water contact angle below 10 degrees but also started to have an impact on the surface roughness.

Investigation of local tunneling current noise spectra on the silicon crystal surfaces by means of STM/STS

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

Mantsevich, V. N., E-mail: vmantsev@spmlab.phys.msu.su; Maslova, N. S.; Cao, G. Y.

We report on a careful analysis of the local tunneling conductivity by means of ultra-high vacuum scanning tunneling microscopy/spectroscopy (STM/STS) technique in the vicinity of low-dimensional structures on the Si(111)–(7 × 7) and Si(110)–(16 × 2) surfaces. The power-law exponent α of low-frequency tunneling current noise spectra is investigated for different values of the tunneling contact parameters: relaxation rates, the localized state coupling, and the tunneling barrier width and height.

Investigation of local tunneling current noise spectra on the silicon crystal surfaces by means of STM/STS

NASA Astrophysics Data System (ADS)

Mantsevich, V. N.; Maslova, N. S.; Cao, G. Y.

2015-08-01

We report on a careful analysis of the local tunneling conductivity by means of ultra-high vacuum scanning tunneling microscopy/spectroscopy (STM/STS) technique in the vicinity of low-dimensional structures on the Si(111)-(7 × 7) and Si(110)-(16 × 2) surfaces. The power-law exponent α of low-frequency tunneling current noise spectra is investigated for different values of the tunneling contact parameters: relaxation rates, the localized state coupling, and the tunneling barrier width and height.

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.

Schottky barrier height of Ni to β-(AlxGa1-x)2O3 with different compositions grown by plasma-assisted molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Ahmadi, Elaheh; Oshima, Yuichi; Wu, Feng; Speck, James S.

2017-03-01

Coherent β-(AlxGa1-x)2O3 films (x = 0, 0.038, 0.084, 0.164) were grown successfully on a Sn-doped β-Ga2O3 (010) substrate using plasma-assisted molecular beam epitaxy. Atom probe tomography, transmission electron microscopy, and high resolution x-ray diffraction were used to verify the alloy composition and high quality of the films. Schottky diodes were then fabricated using Ni as the Schottky metal. Capacitance-voltage measurements revealed a very low (<7 × 1015 cm-3) free charge density in the nominally undoped films. The barrier height and ideality factor were estimated by current-voltage (I-V) measurements performed at temperatures varying from 300 K to 500 K on the Schottky diodes. These measurements revealed that the apparent Schottky barrier height could have similar values for different compositions of β-(AlxGa1-x)2O3. We believe this is attributed to the lateral fluctuation in the alloy’s composition. This results in a lateral variation in the barrier height. Therefore, the average Schottky barrier height extracted from I-V measurements could be similar for β-(AlxGa1-x)2O3 films with different compositions.

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.

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.

Shingle system

DOEpatents

Dinwoodie, Thomas L [Piedmont, CA

2008-02-12

A barrier, such as a PV module, is secured to a base by a support to create a shingle assembly with a venting region defined between the barrier and base for temperature regulation. Water resistant junctions may be formed between the bases of adjacent shingle assemblies of an array of shingle assemblies. The base may include an insulation layer underlying a water barrier. The base may also include a waterproofing element; the width and height of the barrier may be shorter than the width and height of the waterproofing element.

Using models to interpret the impact of roadside barriers on near-road air quality

NASA Astrophysics Data System (ADS)

Amini, Seyedmorteza; Ahangar, Faraz Enayati; Schulte, Nico; Venkatram, Akula

2016-08-01

The question this paper addresses is whether semi-empirical dispersion models based on data from controlled wind tunnel and tracer experiments can describe data collected downwind of a sound barrier next to a real-world urban highway. Both models are based on the mixed wake model described in Schulte et al. (2014). The first neglects the effects of stability on dispersion, and the second accounts for reduced entrainment into the wake of the barrier under unstable conditions. The models were evaluated with data collected downwind of a kilometer-long barrier next to the I-215 freeway running next to the University of California campus in Riverside. The data included measurements of 1) ultrafine particle (UFP) concentrations at several distances from the barrier, 2) micrometeorological variables upwind and downwind of the barrier, and 3) traffic flow separated by automobiles and trucks. Because the emission factor for UFP is highly uncertain, we treated it as a model parameter whose value is obtained by fitting model estimates to observations of UFP concentrations measured at distances where the barrier impact is not dominant. Both models provide adequate descriptions of both the magnitude and the spatial variation of observed concentrations. The good performance of the models reinforces the conclusion from Schulte et al. (2014) that the presence of the barrier is equivalent to shifting the line sources on the road upwind by a distance of about HU/u∗ where H is the barrier height, U is the wind velocity at half of the barrier height, and u∗ is the friction velocity. The models predict that a 4 m barrier results in a 35% reduction in average concentration within 40 m (10 times the barrier height) of the barrier, relative to the no-barrier site. This concentration reduction is 55% if the barrier height is doubled.

Canonical Schottky barrier heights of transition metal dichalcogenide monolayers in contact with a metal

NASA Astrophysics Data System (ADS)

Szcześniak, Dominik; Hoehn, Ross D.; Kais, Sabre

2018-05-01

The transition metal dichalcogenide (M X2 , where M =Mo , W and X =S , Se, Te) monolayers are of high interest for semiconducting applications at the nanoscale level; this interest is due to both their direct band gaps and high charge mobilities. In this regard, an in-depth understating of the related Schottky barrier heights, associated with the incorporation of M X2 sheets into novel low-dimensional metal-semiconductor junctions, is of crucial importance. Herein, we generate and provide analysis of the Schottky barrier heights behavior to account for the metal-induced gap states concept as its explanation. In particular, the present investigations concentrate on the estimation of the charge neutrality levels directly by employing the primary theoretical model, i.e., the cell-averaged Green's function formalism combined with the complex band structure technique. The results presented herein place charge neutrality levels in the vicinity of the midgap; this is in agreement with previous reports and analogous to the behavior of three-dimensional semiconductors. The calculated canonical Schottky barrier heights are also found to be in agreement with other computational and experimental values in cases where the difference between electronegativities of the semiconductor and metal contact is small. Moreover, the influence of the spin-orbit effects is herein considered and supports that Schottky barrier heights have metal-induced gap state-derived character, regardless whether spin-orbit coupling interactions are considered. The results presented within this report constitute a direct and vital verification of the importance of metal-induced gap states in explaining the behavior of observed Schottky barrier heights at M X2 -metal junctions.

Effect of annealing temperature on the electrical properties of Au/Ta2O5/n-GaN metal-insulator-semiconductor (MIS) structure

NASA Astrophysics Data System (ADS)

Prasanna Lakshmi, B.; Rajagopal Reddy, V.; Janardhanam, V.; Siva Pratap Reddy, M.; Lee, Jung-Hee

2013-11-01

We report on the effect of an annealing temperature on the electrical properties of Au/Ta2O5/n-GaN metal-insulator-semiconductor (MIS) structure by current-voltage ( I- V) and capacitance-voltage ( C- V) measurements. The measured Schottky barrier height ( Φ bo) and ideality factor n values of the as-deposited Au/Ta2O5/n-GaN MIS structure are 0.93 eV ( I- V) and 1.19. The barrier height (BH) increases to 1.03 eV and ideality factor decreases to 1.13 upon annealing at 500 ∘C for 1 min under nitrogen ambient. When the contact is annealed at 600 ∘C, the barrier height decreases and the ideality factor increases to 0.99 eV and 1.15. The barrier heights obtained from the C- V measurements are higher than those obtained from I- V measurements, and this indicates the existence of spatial inhomogeneity at the interface. Cheung’s functions are also used to calculate the barrier height ( Φ bo), ideality factor ( n), and series resistance ( R s ) of the Au/Ta2O5/n-GaN MIS structure. Investigations reveal that the Schottky emission is the dominant mechanism and the Poole-Frenkel emission occurs only in the high voltage region. The energy distribution of interface states is determined from the forward bias I- V characteristics by taking into account the bias dependence of the effective barrier height. It is observed that the density value of interface states for the annealed samples with interfacial layer is lower than that of the density value of interface states of the as-deposited sample.

Experimental investigation of terahertz quantum cascade laser with variable barrier heights

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

Jiang, Aiting; Vijayraghavan, Karun; Belkin, Mikhail A., E-mail: mbelkin@ece.utexas.edu

2014-04-28

We report an experimental study of terahertz quantum cascade lasers with variable barrier heights based on the Al{sub x}Ga{sub 1–x}As/GaAs material system. Two new designs are developed based on semiclassical ensemble Monte Carlo simulations using state-of-the-art Al{sub 0.15}Ga{sub 0.85}As/GaAs three-quantum-well resonant phonon depopulation active region design as a reference. The new designs achieved maximum lasing temperatures of 188 K and 172 K, as compared to the maximum lasing temperature of 191 K for the reference structure. These results demonstrate that terahertz quantum cascade laser designs with variable barrier heights provide a viable alternative to the traditional active region designs with fixed barrier composition.more » Additional design space offered by using variable barriers may lead to future improvements in the terahertz quantum cascade laser performance.« less

Ideal MHD stability of double transport barrier plasmas in DIII-D

NASA Astrophysics Data System (ADS)

Li, G. Q.; Wang, S. J.; Lao, L. L.; Turnbull, A. D.; Chu, M. S.; Brennan, D. P.; Groebner, R. J.; Zhao, L.

2008-01-01

The ideal MHD stability for double transport barrier (DTB or DB) plasmas with varying edge and internal barrier width and height was investigated, using the ideal MHD stability code GATO. A moderate ratio of edge transport barriers (ETB) height to internal transport barriers (ITBs) height is found to be beneficial to MHD stability and the βN is limited by global low n instabilities. For moderate ITB width DB plasmas, if the ETB is weak, the stability is limited by n = 1 (n is the toroidal mode number) global mode; whereas if the ETB is strong it is limited by intermediate-n edge peeling-ballooning modes. Broadening the ITB can improve stability if the ITB half width wi lsim 0.3. For very broad ITB width plasmas the stability is limited by stability to a low n (n > 1) global mode.

Electric Characteristic Enhancement of an AZO/Si Schottky Barrier Diode with Hydrogen Plasma Surface Treatment and AlxOx Guard Ring Structure

PubMed Central

Li, Chien-Yu; Cheng, Min-Yu; Houng, Mau-Phon; Yang, Cheng-Fu; Liu, Jing

2018-01-01

In this study, the design and fabrication of AZO/n-Si Schottky barrier diodes (SBDs) with hydrogen plasma treatment on silicon surface and AlxOx guard ring were presented. The Si surface exhibited less interface defects after the cleaning process following with 30 w of H2 plasma treatment that improved the switching properties of the following formed SBDs. The rapid thermal annealing experiment also held at 400 °C to enhance the breakdown voltage of SBDs. The edge effect of the SBDs was also suppressed with the AlxOx guard ring structure deposited by the atomic layer deposition (ALD) at the side of the SBDs. Experimental results show that the reverse leakage current was reduced and the breakdown voltage increased with an addition of the AlxOx guard ring. The diode and fabrication technology developed in the study were applicable to the realization of SBDs with a high breakdown voltage (>200 V), a low reverse leakage current density (≤72 μA/mm2@100 V), and a Schottky barrier height of 1.074 eV. PMID:29316726

Electric Characteristic Enhancement of an AZO/Si Schottky Barrier Diode with Hydrogen Plasma Surface Treatment and AlxOx Guard Ring Structure.

PubMed

Li, Chien-Yu; Cheng, Min-Yu; Houng, Mau-Phon; Yang, Cheng-Fu; Liu, Jing

2018-01-08

In this study, the design and fabrication of AZO/n-Si Schottky barrier diodes (SBDs) with hydrogen plasma treatment on silicon surface and Al x O x guard ring were presented. The Si surface exhibited less interface defects after the cleaning process following with 30 w of H₂ plasma treatment that improved the switching properties of the following formed SBDs. The rapid thermal annealing experiment also held at 400 °C to enhance the breakdown voltage of SBDs. The edge effect of the SBDs was also suppressed with the Al x O x guard ring structure deposited by the atomic layer deposition (ALD) at the side of the SBDs. Experimental results show that the reverse leakage current was reduced and the breakdown voltage increased with an addition of the Al x O x guard ring. The diode and fabrication technology developed in the study were applicable to the realization of SBDs with a high breakdown voltage (>200 V), a low reverse leakage current density (≤72 μA/mm²@100 V), and a Schottky barrier height of 1.074 eV.

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

Communication: An accurate calculation of the S{sub 1} C{sub 2}H{sub 2} cis-trans isomerization barrier height

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

Baraban, Joshua H.; Matthews, Devin A.; Stanton, John F.

2016-03-21

A high level ab initio calculation of the cis-trans isomerization barrier height in the first excited singlet electronic state of acetylene is found to agree very well with a recent experimental determination.

Communication: An accurate calculation of the S 1 C 2H 2 cis-trans isomerization barrier height

DOE PAGES

Baraban, Joshua H.; Matthews, Devin A.; Stanton, John F.

2016-03-16

In this study, a high level ab initio calculation of the cis-trans isomerization barrier height in the first excited singlet electronic state of acetylene is found to agree very well with a recent experimental determination.

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.

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.

The role of probe oxide in local surface conductivity measurements

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

Barnett, C. J.; Kryvchenkova, O.; Wilson, L. S. J.

2015-05-07

Local probe methods can be used to measure nanoscale surface conductivity, but some techniques including nanoscale four point probe rely on at least two of the probes forming the same low resistivity non-rectifying contact to the sample. Here, the role of probe shank oxide has been examined by carrying out contact and non-contact I V measurements on GaAs when the probe oxide has been controllably reduced, both experimentally and in simulation. In contact, the barrier height is pinned but the barrier shape changes with probe shank oxide dimensions. In non-contact measurements, the oxide modifies the electrostatic interaction inducing a quantummore » dot that alters the tunneling behavior. For both, the contact resistance change is dependent on polarity, which violates the assumption required for four point probe to remove probe contact resistance from the measured conductivity. This has implications for all nanoscale surface probe measurements and macroscopic four point probe, both in air and vacuum, where the role of probe oxide contamination is not well understood.« less

Analysis of Schottky Barrier Parameters and Current Transport Properties of V/p-Type GaN Schottky Junction at Low Temperatures

NASA Astrophysics Data System (ADS)

Asha, B.; Harsha, Cirandur Sri; Padma, R.; Rajagopal Reddy, V.

2018-05-01

The electrical characteristics of a V/p-GaN Schottky junction have been investigated by current-voltage (I-V) and capacitance-voltage (C-V) characteristics under the assumption of the thermionic emission (TE) theory in the temperature range of 120-280 K with steps of 40 K. The zero-bias barrier height (ΦB0), ideality factor (n), flat-band barrier height (ΦBF) and series resistance (R S) values were evaluated and were found to be strongly temperature dependent. The results revealed that the ΦB0 values increase, whereas n, ΦFB and R S values decrease, with increasing temperature. Using the conventional Richardson plot, the mean barrier height (0.39 eV) and Richardson constant (8.10 × 10-10 Acm-2 K-2) were attained. The barrier height inhomogeneities were demonstrated by assuming a Gaussian distribution function. The interface state density (N SS) values were found to decrease with increasing temperature. The reverse leakage current mechanism of the V/p-GaN Schottky junction was found to be governed by Poole-Frenkel emission at all temperatures.

Growth and interface properties of Au Schottky contact on ZnO grown by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Asghar, M.; Mahmood, K.; Malik, Faisal; Hasan, M. A.

2013-06-01

In this paper, we have discussed the growth of ZnO by molecular beam epitaxy (MBE) and interface properties of Au Schottky contacts on grown sample. After the verification of structure and surface properties by X-Ray Diffraction (XRD) and Scanning Electron Microscope (SEM), respectively, Au metal contact was fabricated by e-beam evaporation to study contact properties. The high value of ideality factor (2.15) and barrier height (0.61 eV) at room temperature obtained by current-voltage (I-V) characteristics suggested the presence of interface states between metal and semiconductor. To confirm this observation we carried out frequency dependent capacitance-voltage (C-V) and conductance-voltage (G-V) demonstrated that the capacitance of diode decreased with increasing frequency. The reason of this behavior is related with density of interface states, series resistance and image force lowering. The C-2-V plot drawn to calculate the carrier concentration and barrier height with values 1.4×1016 cm-3 and 0.92 eV respectively. Again, high value of barrier height obtained from C-V as compared to the value obtained from I-V measurements revealed the presence of interface states. The density of these interface states (Dit) was calculated by well known Hill-Coleman method. The calculated value of Dit at 1 MHz frequency was 2×1012 eV-1 cm-2. The plot between interface states and frequency was also drawn which demonstrated that density of interface states had inverse proportion with measuring frequency.

Dependence of Fusion Barrier Heights on the Difference of Proton and Neutron Radii

NASA Astrophysics Data System (ADS)

Dobrowolski, A.; Pomorski, K.; Bartel, J.

2005-04-01

Using the Skyrme effective nucleon--nucleon interaction together with the semiclassical Extended Thomas--Fermi approach (ETF) we investigate the relative change of the fusion barrier heights for the reaction 16O+208Pb as function of the nuclear proton or neutron radii of the colliding nuclei.

Utilization of Large Scale Surface Models for Detailed Visibility Analyses

NASA Astrophysics Data System (ADS)

Caha, J.; Kačmařík, M.

2017-11-01

This article demonstrates utilization of large scale surface models with small spatial resolution and high accuracy, acquired from Unmanned Aerial Vehicle scanning, for visibility analyses. The importance of large scale data for visibility analyses on the local scale, where the detail of the surface model is the most defining factor, is described. The focus is not only the classic Boolean visibility, that is usually determined within GIS, but also on so called extended viewsheds that aims to provide more information about visibility. The case study with examples of visibility analyses was performed on river Opava, near the Ostrava city (Czech Republic). The multiple Boolean viewshed analysis and global horizon viewshed were calculated to determine most prominent features and visibility barriers of the surface. Besides that, the extended viewshed showing angle difference above the local horizon, which describes angular height of the target area above the barrier, is shown. The case study proved that large scale models are appropriate data source for visibility analyses on local level. The discussion summarizes possible future applications and further development directions of visibility analyses.

Near-Surface Transport Pathways in the North Atlantic Ocean: Looking for Throughput from the Subtropical to the Subpolar Gyre

NASA Astrophysics Data System (ADS)

Rypina, I. I.; Pratt, L. J.; Lozier, M.

2011-12-01

Motivated by discrepancies between Eulerian transport estimates and the behavior of Lagrangian surface drifters, near-surface transport pathways and processes in the North Atlantic are studied using a combination of data, altimetric surface heights, statistical analysis of trajectories, and dynamical systems techniques. Particular attention is paid to the issue of the subtropical-to-subpolar intergyre fluid exchange. The velocity field used in this study is composed of a steady drifter-derived background flow, upon which a time-dependent altimeter-based perturbation is superimposed. This analysis suggests that most of the fluid entering the subpolar gyre from the subtropical gyre within two years comes from a narrow region lying inshore of the Gulf Stream core, whereas fluid on the offshore side of the Gulf Stream is largely prevented from doing so by the Gulf Stream core, which acts as a strong transport barrier, in agreement with past studies. The transport barrier near the Gulf Stream core is robust and persistent from 1992 until 2008. The qualitative behavior is found to be largely independent of the Ekman drift.

Electrical properties of Schottky barrier diodes fabricated on (001) β-Ga2O3 substrates with crystal defects

NASA Astrophysics Data System (ADS)

Oshima, Takayoshi; Hashiguchi, Akihiro; Moribayashi, Tomoya; Koshi, Kimiyoshi; Sasaki, Kohei; Kuramata, Akito; Ueda, Osamu; Oishi, Toshiyuki; Kasu, Makoto

2017-08-01

The electrical properties of Schottky barrier diodes (SBDs) on a (001) β-Ga2O3 substrate were characterized and correlated with wet etching-revealed crystal defects below the corresponding Schottky contacts. The etching process revealed etched grooves and etched pits, indicating the presence of line-shaped voids and small defects near the surface, respectively. The electrical properties (i.e., leakage currents, ideality factor, and barrier height) exhibited almost no correlation with the density of the line-shaped voids. This very weak correlation was reasonable considering the parallel positional relation between the line-shaped voids extending along the [010] direction and the (001) basal plane in which the voids are rarely exposed on the initial surface in contact with the Schottky metals. The distribution of small defects and SBDs with unusually large leakage currents showed similar patterns on the substrate, suggesting that these defects were responsible for the onset of fatal leak paths. These results will encourage studies on crystal defect management of (001) β-Ga2O3 substrates for the fabrication of devices with enhanced performance using these substrates.

The Ehrlich-Schwoebel barrier on an oxide surface: a combined Monte-Carlo and in situ scanning tunneling microscopy approach.

PubMed

Gianfrancesco, Anthony G; Tselev, Alexander; Baddorf, Arthur P; Kalinin, Sergei V; Vasudevan, Rama K

2015-11-13

The controlled growth of epitaxial films of complex oxides requires an atomistic understanding of key parameters determining final film morphology, such as termination dependence on adatom diffusion, and height of the Ehrlich-Schwoebel (ES) barrier. Here, through an in situ scanning tunneling microscopy study of mixed-terminated La5/8Ca3/8MnO3 (LCMO) films, we image adatoms and observe pile-up at island edges. Image analysis allows determination of the population of adatoms at the edge of islands and fractions on A-site and B-site terminations. A simple Monte-Carlo model, simulating the random walk of adatoms on a sinusoidal potential landscape using Boltzmann statistics is used to reproduce the experimental data, and provides an estimate of the ES barrier as ∼0.18 ± 0.04 eV at T = 1023 K, similar to those of metal adatoms on metallic surfaces. These studies highlight the utility of in situ imaging, in combination with basic Monte-Carlo methods, in elucidating the factors which control the final film growth in complex oxides.

The Ehrlich-Schwoebel barrier on an oxide surface: a combined Monte-Carlo and in situ scanning tunneling microscopy approach

NASA Astrophysics Data System (ADS)

Gianfrancesco, Anthony G.; Tselev, Alexander; Baddorf, Arthur P.; Kalinin, Sergei V.; Vasudevan, Rama K.

2015-11-01

The controlled growth of epitaxial films of complex oxides requires an atomistic understanding of key parameters determining final film morphology, such as termination dependence on adatom diffusion, and height of the Ehrlich-Schwoebel (ES) barrier. Here, through an in situ scanning tunneling microscopy study of mixed-terminated La5/8Ca3/8MnO3 (LCMO) films, we image adatoms and observe pile-up at island edges. Image analysis allows determination of the population of adatoms at the edge of islands and fractions on A-site and B-site terminations. A simple Monte-Carlo model, simulating the random walk of adatoms on a sinusoidal potential landscape using Boltzmann statistics is used to reproduce the experimental data, and provides an estimate of the ES barrier as ˜0.18 ± 0.04 eV at T = 1023 K, similar to those of metal adatoms on metallic surfaces. These studies highlight the utility of in situ imaging, in combination with basic Monte-Carlo methods, in elucidating the factors which control the final film growth in complex oxides.

Railroad retarder noise reduction : study of acoustical barrier configurations

DOT National Transportation Integrated Search

1979-05-01

Field measurements of noise were made near a railroad retarder system without barriers and with acoustical barriers of various configurations. The configurations tested included acoustically reflective and acoustically absorptive barriers with height...

Gate Modulation of Graphene-ZnO Nanowire Schottky Diode.

PubMed

Liu, Ren; You, Xu-Chen; Fu, Xue-Wen; Lin, Fang; Meng, Jie; Yu, Da-Peng; Liao, Zhi-Min

2015-05-06

Graphene-semiconductor interface is important for the applications in electronic and optoelectronic devices. Here we report the modulation of the electric transport properties of graphene/ZnO nanowire Schottky diode by gate voltage (Vg). The ideality factor of the graphene/ZnO nanowire Schottky diode is ~1.7, and the Schottky barrier height is ~0.28 eV without external Vg. The Schottky barrier height is sensitive to Vg due to the variation of Fermi level of graphene. The barrier height increases quickly with sweeping Vg towards the negative value, while decreases slowly towards the positive Vg. Our results are helpful to understand the fundamental mechanism of the electric transport in graphene-semiconductor Schottky diode.

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.

Planar doped barrier subharmonic mixers

NASA Technical Reports Server (NTRS)

Lee, T. H.; East, J. R.; Haddad, G. I.

1992-01-01

The Planar Doped Barrier (PDB) diode is a device consisting of a p(+) doping spike between two intrinsic layers and n(+) ohmic contacts. This device has the advantages of controllable barrier height, diode capacitance and forward to reverse current ratio. A symmetrically designed PDB has an anti-symmetric current vs. voltage characteristic and is ideal for use as millimeter wave subharmonic mixers. We have fabricated such devices with barrier heights of 0.3, 0.5 and 0.7 volts from GaAs and InGaAs using a multijunction honeycomb structure with junction diameters between one and ten microns. Initial RF measurements are encouraging. The 0.7 volt barrier height 4 micron GaAs devices were tested as subharmonic mixers at 202 GHz with an IF frequency of 1 GHz and had 18 dB of conversion loss. The estimated mismatch loss was 7 dB and was due to higher diode capacitance. The LO frequency was 100.5 GHz and the pump power was 8 mW.

Modulation of Folding Internal Friction by Local and Global Barrier Heights.

PubMed

Zheng, Wenwei; de Sancho, David; Best, Robert B

2016-03-17

Recent experiments have revealed an unexpected deviation from a first power dependence of protein relaxation times on solvent viscosity, an effect that has been attributed to "internal friction". One clear source of internal friction in protein dynamics is the isomerization of dihedral angles. A key outstanding question is whether the global folding barrier height influences the measured internal friction, based on the observation that the folding rates of fast-folding proteins, with smaller folding free energy barriers, tend to exhibit larger internal friction. Here, by studying two alanine-based peptides, we find that systematic variation of global folding barrier heights has little effect on the internal friction for folding rates. On the other hand, increasing local torsion angle barriers leads to increased internal friction, which is consistent with solvent memory effects being the origin of the viscosity dependence. Thus, it appears that local torsion transitions determine the viscosity dependence of the diffusion coefficient on the global coordinate and, in turn, internal friction effects on the folding rate.

Comparison of nickel, cobalt, palladium, and tungsten Schottky contacts on n-4H-silicon carbide

NASA Astrophysics Data System (ADS)

Gora, V. E.; Chawanda, A.; Nyamhere, C.; Auret, F. D.; Mazunga, F.; Jaure, T.; Chibaya, B.; Omotoso, E.; Danga, H. T.; Tunhuma, S. M.

2018-04-01

We have investigated the current-voltage (I-V) characteristics of nickel (Ni), cobalt (Co), tungsten (W) and palladium (Pd) Schottky contacts on n-type 4H-SiC in the 300-800 K temperature range. Results extracted from I-V measurements of Schottky barrier diodes showed that barrier height (ФBo) and ideality factor (n) were strongly dependent on temperature. Schottky barrier heights for contacts of all the metals showed an increase with temperature between 300 K and 800 K. This was attributed to barrier inhomogeneities at the interface between the metal and the semiconductor, which resulted in a distribution of barrier heights at the interface. Ideality factors of Ni, Co and Pd decreased from 1.6 to 1.0 and for W the ideality factor decreased from 1.1 to 1.0 when the temperature was increased from 300 K to 800 K respectively. The device parameters were compared to assess advantages and disadvantages of the metals for envisaged applications.

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).

Isotype InGaN/GaN heterobarrier diodes by ammonia molecular beam epitaxy

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

Fireman, Micha N.; Browne, David A.; Speck, James S.

The design of isotype InGaN/GaN heterobarrier diode structures grown by ammonia molecular beam epitaxy is presented. On the (0001) Ga-polar plane, a structure consisting of a surface n{sup +} GaN contact layer, followed by a thin InGaN layer, followed by a thick unintentionally doped (UID) GaN layer, and atop a buried n{sup +} GaN contact layer induces a large conduction band barrier via a depleted UID GaN layer. Suppression of reverse and subthreshold current in such isotype barrier devices under applied bias depends on the quality of this composite layer polarization. Sample series were grown under fixed InGaN growth conditionsmore » that varied either the UID GaN NH{sub 3} flow rate or the UID GaN thickness, and under fixed UID GaN growth conditions that varied InGaN growth conditions. Decreases in subthreshold current and reverse bias current were measured for thicker UID GaN layers and increasing InGaN growth rates. Temperature-dependent analysis indicated that although extracted barrier heights were lower than those predicted by 1D Schrödinger Poisson simulations (0.9 eV–1.4 eV for In compositions from 10% to 15%), optimized growth conditions increased the extracted barrier height from ∼11% to nearly 85% of the simulated values. Potential subthreshold mechanisms are discussed, along with those growth factors which might affect their prevalence.« less

A Computational Methodology to Screen Activities of Enzyme Variants

PubMed Central

Hediger, Martin R.; De Vico, Luca; Svendsen, Allan; Besenmatter, Werner; Jensen, Jan H.

2012-01-01

We present a fast computational method to efficiently screen enzyme activity. In the presented method, the effect of mutations on the barrier height of an enzyme-catalysed reaction can be computed within 24 hours on roughly 10 processors. The methodology is based on the PM6 and MOZYME methods as implemented in MOPAC2009, and is tested on the first step of the amide hydrolysis reaction catalyzed by the Candida Antarctica lipase B (CalB) enzyme. The barrier heights are estimated using adiabatic mapping and shown to give barrier heights to within 3 kcal/mol of B3LYP/6-31G(d)//RHF/3-21G results for a small model system. Relatively strict convergence criteria (0.5 kcal/(molÅ)), long NDDO cutoff distances within the MOZYME method (15 Å) and single point evaluations using conventional PM6 are needed for reliable results. The generation of mutant structures and subsequent setup of the semiempirical calculations are automated so that the effect on barrier heights can be estimated for hundreds of mutants in a matter of weeks using high performance computing. PMID:23284627

An Evaluation of Structural, Topographic, Optical, and Temperature-Dependent Electrical Features of Sol-Gel Spin-Coated p-NiO/n-Si Heterojunction

NASA Astrophysics Data System (ADS)

Turgut, Güven; Duman, Songül; Özcelik, Fikriye Şeyma

2017-06-01

p-NiO/n-Si heterodiode was deposited with an easy and cheap sol-gel route using a spin coater. The XRD results revealed that NiO film had polycrystalline cubic bunsenite structure with (200) preferential direction. The AFM and SEM micrographs indicated that the film was composed of homogenously distributed nanoparticles on n-Si surface. The uniform scattering of Ni and O elements was also seen from EDX mapping pictures. The band gap value for NiO sample was found to be 3.74 eV. The current-voltage ( I- V) properties of Ag/p-NiO/n-Si heterojunction were inquired in the temperature range of 80 K to 300 K (-193 °C to 27 °C). The temperature coefficient of barrier height of the Ag/p-NiO/n-Si heterojunction was determined to be 2.6 meV/K. The I- V measurements showed that the barrier height of the heterojunction increased with an increment in the temperature.

Structural and electrical characterization of epitaxial Ge thin films on Si(001) formed by sputtering

NASA Astrophysics Data System (ADS)

Otsuka, Shintaro; Mori, Takahiro; Morita, Yukinori; Uchida, Noriyuki; Liu, Yongxun; O'uchi, Shin-ichi; Fuketa, Hiroshi; Migita, Shinji; Masahara, Meishoku; Matsukawa, Takashi

2017-04-01

We structurally and electrically characterize sub-10-nm-thick heteroepitaxial Ge films on Si(001), formed by heated sputtering and subsequent rapid thermal annealing (RTA). After RTA treatment at 720 °C, we find the heteroepitaxial Ge films to have smooth surfaces with a roughness root mean square value of 0.54 nm. Raman measurement reveals that the 720 °C RTA improves the crystallinity of Ge films while maintaining abrupt Ge/Si interfaces. Cross-sectional transmission electron microscopy confirms that the 720 °C RTA step effectively reduces stacking faults and dislocations in the Ge films. The Richardson plot of the TaN/Ge/n-Si diode indicates a Schottky barrier height (SBH) of 0.33 V, which is close to the height of 0.37 V measured from the capacitance-voltage measurement. These values are reasonable compared with the reported SBH of the TaN/bulk Ge Schottky barrier diode, indicating that the method involving heated sputtering and subsequent RTA provides adequate thin Ge films for Ge/Si heterostructures.

Flexible piezotronic strain sensor.

PubMed

Zhou, Jun; Gu, Yudong; Fei, Peng; Mai, Wenjie; Gao, Yifan; Yang, Rusen; Bao, Gang; Wang, Zhong Lin

2008-09-01

Strain sensors based on individual ZnO piezoelectric fine-wires (PFWs; nanowires, microwires) have been fabricated by a simple, reliable, and cost-effective technique. The electromechanical sensor device consists of a single electrically connected PFW that is placed on the outer surface of a flexible polystyrene (PS) substrate and bonded at its two ends. The entire device is fully packaged by a polydimethylsiloxane (PDMS) thin layer. The PFW has Schottky contacts at its two ends but with distinctly different barrier heights. The I- V characteristic is highly sensitive to strain mainly due to the change in Schottky barrier height (SBH), which scales linear with strain. The change in SBH is suggested owing to the strain induced band structure change and piezoelectric effect. The experimental data can be well-described by the thermionic emission-diffusion model. A gauge factor of as high as 1250 has been demonstrated, which is 25% higher than the best gauge factor demonstrated for carbon nanotubes. The strain sensor developed here has applications in strain and stress measurements in cell biology, biomedical sciences, MEMS devices, structure monitoring, and more.

Silicide Nanowires for Low-Resistance CMOS Transistor Contacts.

NASA Astrophysics Data System (ADS)

Zollner, Stefan

2007-03-01

Transition metal (TM) silicide nanowires are used as contacts for modern CMOS transistors. (Our smallest wires are ˜20 nm thick and ˜50 nm wide.) While much research on thick TM silicides was conducted long ago, materials perform differently at the nanoscale. For example, the usual phase transformation sequences (e.g., Ni, Ni2Si, NiSi, NiSi2) for the reaction of thick metal films on Si no longer apply to nanostructures, because the surface and interface energies compete with the bulk energy of a given crystal structure. Therefore, a NiSi film will agglomerate into hemispherical droplets of NiSi by annealing before it reaches the lowest-energy (NiSi2) crystalline structure. These dynamics can be tuned by addition of impurities (such as Pt in Ni). The Si surface preparation is also a more important factor for nanowires than for silicidation of thick TM films. Ni nanowires formed on Si surfaces that were cleaned and amorphized by sputtering with Ar ions have a tendency to form NiSi2 pyramids (``spikes'') even at moderate temperatures (˜400^oC), while similar Ni films formed on atomically clean or hydrogen-terminated Si form uniform NiSi nanowires. Another issue affecting TM silicides is the barrier height between the silicide contact and the silicon transistor. For most TM silicides, the Fermi level of the silicide is aligned with the center of the Si band gap. Therefore, silicide contacts experience Schottky barrier heights of around 0.5 eV for both n-type and p-type Si. The resulting contact resistance becomes a significant term for the overall resistance of modern CMOS transistors. Lowering this contact resistance is an important goal in CMOS research. New materials are under investigation (for example PtSi, which has a barrier height of only 0.3 eV to p-type Si). This talk will describe recent results, with special emphasis on characterization techniques and electrical testing useful for the development of silicide nanowires for CMOS contacts. In collaboration with: P. Grudowski, D. Jawarani, R. Garcia, M.L. Kottke, R.B. Gregory, X.-D. Wang, D. Theodore, P. Fejes, W.J. Taylor, B.Y. Nguyen, C. Capasso, M. Raymond, D. Denning, K. Chang, R. Noble, M. Jahanbani, S. Bolton, P. Crabtree, D. Goedeke, M. Rossow, M. Chowdhury, H. Desjardins, A.Thean.

Free energy barriers for escape of water molecules from protein hydration layer.

PubMed

Roy, Susmita; Bagchi, Biman

2012-03-08

Free energy barriers separating interfacial water molecules from the hydration layer at the surface of a protein to the bulk are obtained by using the umbrella sampling method of free energy calculation. We consider hydration layer of chicken villin head piece (HP-36) which has been studied extensively by molecular dynamics simulations. The free energy calculations reveal a strong sensitivity to the secondary structure. In particular, we find a region near the junction of first and second helix that contains a cluster of water molecules which are slow in motion, characterized by long residence times (of the order of 100 ps or more) and separated by a large free energy barrier from the bulk water. However, these "slow" water molecules constitute only about 5-10% of the total number of hydration layer water molecules. Nevertheless, they play an important role in stabilizing the protein conformation. Water molecules near the third helix (which is the important helix for biological function) are enthalpically least stable and exhibit the fastest dynamics. Interestingly, barrier height distributions of interfacial water are quite broad for water surrounding all the three helices (and the three coils), with the smallest barriers found for those near the helix-3. For the quasi-bound water molecules near the first and second helices, we use well-known Kramers' theory to estimate the residence time from the free energy surface, by estimating the friction along the reaction coordinate from the diffusion coefficient by using Einstein relation. The agreement found is satisfactory. We discuss the possible biological function of these slow, quasi-bound (but transient) water molecules on the surface.

Properties of GaP Schottky barrier diodes at elevated temperatures.

NASA Technical Reports Server (NTRS)

Nannichi, Y.; Pearson, G. L.

1969-01-01

Gallium phosphide Schottky barrier diodes, discussing construction and metals used, barrier height relationships to impurity concentration and temperature, rectifying characteristics and internal quantum efficiency

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.

Effect of the Barrier Layer on the Upper Ocean Response to MJO Forcing

NASA Astrophysics Data System (ADS)

Bulusu, S.

2014-12-01

Recently, attention has been given to an upper ocean feature known as the Barrier Layer, which has been shown to impact meteorological phenomena from ENSO to tropical cyclones by suppressing vertical mixing, which reduces sea surface cooling and enhances surface heat fluxes. The calculation defines the Barrier Layer as the difference between the Isothermal Layer Depth (ILD) and Mixed Layer Depth (MLD). Proper representation of these features relies on precise observations of SSS to attain accurate measurements of the MLD and subsequently, the BLT. Compared to the many available in situ SSS measurements, the NASA Aquarius salinity mission currently obtains the closest observations to the true SSS. The role of subsurface features will be better understood through increased accuracy of SSS measurements. In this study BLT estimates are derived from satellite measurements using a multilinear regression model (MRM) in the Indian Ocean. The MRM relates BLT to satellite derived SSS, sea surface temperature (SST) and sea surface height anomalies (SSHA). Besides being a variable that responds passively to atmospheric conditions, SSS significantly controls upper ocean density and therefore the MLD. The formation of a Barrier Layer can lead to possible feedbacks that impact the atmospheric component of the Madden-Julian Oscillation (MJO), as stated as one of the three major hypotheses of the DYNAMO field campaign. This layer produces a stable stratification, reducing vertical mixing, which influences surface heat fluxes and thus could possibly impact atmospheric conditions during the MJO. Establishing the magnitude and extent of SSS variations during the MJO will be a useful tool for data assimilation into models to correctly represent both oceanic thermodynamic characteristics and atmospheric processes during intraseasonal variations.

The dynamical conductance of graphene tunnelling structures.

PubMed

Zhang, Huan; Chan, K S; Lin, Zijing

2011-12-16

The dynamical conductances of graphene tunnelling structures were numerically calculated using the scattering matrix method with the interaction effect included in a phenomenological approach. The overall single-barrier dynamical conductance is capacitative. Transmission resonances in the single-barrier structure lead to dips in the capacitative imaginary part of the response. This is different from the ac responses of typical semiconductor nanostructures, where transmission resonances usually lead to inductive peaks. The features of the dips depend on the Fermi energy. When the Fermi energy is below half of the barrier height, the dips are sharper. When the Fermi energy is higher than half of the barrier height, the dips are broader. Inductive behaviours can be observed in a double-barrier structure due to the resonances formed by reflection between the two barriers.

Exploring Ag(111) Substrate for Epitaxially Growing Monolayer Stanene: A First-Principles Study

PubMed Central

Gao, Junfeng; Zhang, Gang; Zhang, Yong-Wei

2016-01-01

Stanene, a two-dimensional topological insulator composed of Sn atoms in a hexagonal lattice, is a promising contender to Si in nanoelectronics. Currently it is still a significant challenge to achieve large-area, high-quality monolayer stanene. We explore the potential of Ag(111) surface as an ideal substrate for the epitaxial growth of monolayer stanene. Using first-principles calculations, we study the stability of the structure of stanene in different epitaxial relations with respect to Ag(111) surface, and also the diffusion behavior of Sn adatom on Ag(111) surface. Our study reveals that: (1) the hexagonal structure of stanene monolayer is well reserved on Ag(111) surface; (2) the height of epitaxial stanene monolayer is comparable to the step height of the substrate, enabling the growth to cross the surface step and achieve a large-area stanene; (3) the perfect lattice structure of free-standing stanene can be achieved once the epitaxial stanene monolayer is detached from Ag(111) surface; and finally (4) the diffusion barrier of Sn adatom on Ag(111) surface is found to be only 0.041 eV, allowing the epitaxial growth of stanene monolayer even at low temperatures. Our above revelations strongly suggest that Ag(111) surface is an ideal candidate for growing large-area, high-quality monolayer stanene. PMID:27373464

Effects of sea-level rise on barrier island groundwater system dynamics: ecohydrological implications

USGS Publications Warehouse

Masterson, John P.; Fienen, Michael N.; Thieler, E. Robert; Gesch, Dean B.; Gutierrez, Benjamin T.; Plant, Nathaniel G.

2014-01-01

We used a numerical model to investigate how a barrier island groundwater system responds to increases of up to 60 cm in sea level. We found that a sea-level rise of 20 cm leads to substantial changes in the depth of the water table and the extent and depth of saltwater intrusion, which are key determinants in the establishment, distribution and succession of vegetation assemblages and habitat suitability in barrier islands ecosystems. In our simulations, increases in water-table height in areas with a shallow depth to water (or thin vadose zone) resulted in extensive groundwater inundation of land surface and a thinning of the underlying freshwater lens. We demonstrated the interdependence of the groundwater response to island morphology by evaluating changes at three sites. This interdependence can have a profound effect on ecosystem composition in these fragile coastal landscapes under long-term changing climatic conditions.

First-principles analysis of C2H2 molecule diffusion and its dissociation process on the ferromagnetic bcc-Fe110 surface.

PubMed

Ikeda, Minoru; Yamasaki, Takahiro; Kaneta, Chioko

2010-09-29

Using the projector-augmented plane wave method, we study diffusion and dissociation processes of C(2)H(2) molecules on the ferromagnetic bcc-Fe(110) surface and investigate the formation process of graphene created by C(2)H(2) molecules. The most stable site for C(2)H(2) on the Fe surface is a hollow site and its adsorption energy is - 3.5 eV. In order to study the diffusion process of the C(2)H(2) molecule, the barrier height energies for the C atom, C(2)-dimer and CH as well as the C(2)H(2) molecule are estimated using the nudged elastic band method. The barrier height energy for C(2)H(2) is 0.71 eV and this indicates that the C(2)H(2) diffuses easily on this FM bcc-Fe(110) surface. We further investigate the two step dissociation process of C(2)H(2) on Fe. The first step is the dissociation of C(2)H(2) into C(2)H and H, and the second step is that of C(2)H into C(2) and H. Their dissociation energies are 0.9 and 1.2 eV, respectively. These energies are relatively small compared to the dissociation energy 7.5 eV of C(2)H(2) into C(2)H and H in the vacuum. Thus, the Fe surface shows catalytic effects. We further investigate the initial formation process of graphene by increasing the coverage of C(2)H(2). The formation process of the benzene molecule on the FM bcc(110) surface is also discussed. We find that there exists a critical coverage of C(2)H(2) which characterizes the beginning of the formation of the graphene.

Proton and hydrogen transport through two-dimensional monolayers

NASA Astrophysics Data System (ADS)

Seel, Max; Pandey, Ravindra

2016-06-01

Diffusion of protons and hydrogen atoms in representative two-dimensional materials is investigated. Specifically, density functional calculations were performed on graphene, hexagonal boron nitride (h-BN), phosphorene, silicene, and molybdenum disulfide (MoS2) monolayers to study the surface interaction and penetration barriers for protons and hydrogen atoms employing finite cluster models. The calculated barrier heights correlate approximately with the size of the opening formed by the three-fold open sites in the monolayers considered. They range from 1.56 eV (proton) and 4.61 eV (H) for graphene to 0.12 eV (proton) and 0.20 eV (H) for silicene. The results indicate that only graphene and h-BN monolayers have the potential for membranes with high selective permeability. The MoS2 monolayer behaves differently: protons and H atoms become trapped between the outer S layers in the Mo plane in a well with a depth of 1.56 eV (proton) and 1.5 eV (H atom), possibly explaining why no proton transport was detected, suggesting MoS2 as a hydrogen storage material instead. For graphene and h-BN, off-center proton penetration reduces the barrier to 1.38 eV for graphene and 0.11 eV for h-BN. Furthermore, Pt acting as a substrate was found to have a negligible effect on the barrier height. In defective graphene, the smallest barrier for proton diffusion (1.05 eV) is found for an oxygen-terminated defect. Therefore, it seems more likely that thermal protons can penetrate a monolayer of h-BN but not graphene and defects are necessary to facilitate the proton transport in graphene.

Quasiclassical trajectory study of the Cl+CH4 reaction dynamics on a quadratic configuration interaction with single and double excitation interpolated potential energy surface.

PubMed

Castillo, J F; Aoiz, F J; Bañares, L

2006-09-28

An ab initio interpolated potential energy surface (PES) for the Cl+CH(4) reactive system has been constructed using the interpolation method of Collins and co-workers [J. Chem. Phys. 102, 5647 (1995); 108, 8302 (1998); 111, 816 (1999); Theor. Chem. Acc. 108, 313 (2002)]. The ab initio calculations have been performed using quadratic configuration interaction with single and double excitation theory to build the PES. A simple scaling all correlation technique has been used to obtain a PES which yields a barrier height and reaction energy in good agreement with high level ab initio calculations and experimental measurements. Using these interpolated PESs, a detailed quasiclassical trajectory study of integral and differential cross sections, product rovibrational populations, and internal energy distributions has been carried out for the Cl+CH(4) and Cl+CD(4) reactions, and the theoretical results have been compared with the available experimental data. It has been shown that the calculated total reaction cross sections versus collision energy for the Cl+CH(4) and Cl+CD(4) reactions is very sensitive to the barrier height. Besides, due to the zero-point energy (ZPE) leakage of the CH(4) molecule to the reaction coordinate in the quasiclassical trajectory (QCT) calculations, the reaction threshold falls below the barrier height of the PES. The ZPE leakage leads to CH(3) and HCl coproducts with internal energy below its corresponding ZPEs. We have shown that a Gaussian binning (GB) analysis of the trajectories yields excitation functions in somehow better agreement with the experimental determinations. The HCl(v'=0) and DCl(v'=0) rotational distributions are as well very sensitive to the ZPE problem. The GB correction narrows and shifts the rotational distributions to lower values of the rotational quantum numbers. However, the present QCT rotational distributions are still hotter than the experimental distributions. In both reactions the angular distributions shift from backward peaked to sideways peaked as collision energy increases, as seen in the experiments and other theoretical calculations.

Quasiclassical trajectory study of the Cl +CH4 reaction dynamics on a quadratic configuration interaction with single and double excitation interpolated potential energy surface

NASA Astrophysics Data System (ADS)

Castillo, J. F.; Aoiz, F. J.; Bañares, L.

2006-09-01

An ab initio interpolated potential energy surface (PES) for the Cl +CH4 reactive system has been constructed using the interpolation method of Collins and co-workers [J. Chem. Phys. 102, 5647 (1995); 108, 8302 (1998); 111, 816 (1999); Theor. Chem. Acc. 108, 313 (2002)]. The ab initio calculations have been performed using quadratic configuration interaction with single and double excitation theory to build the PES. A simple scaling all correlation technique has been used to obtain a PES which yields a barrier height and reaction energy in good agreement with high level ab initio calculations and experimental measurements. Using these interpolated PESs, a detailed quasiclassical trajectory study of integral and differential cross sections, product rovibrational populations, and internal energy distributions has been carried out for the Cl +CH4 and Cl +CD4 reactions, and the theoretical results have been compared with the available experimental data. It has been shown that the calculated total reaction cross sections versus collision energy for the Cl +CH4 and Cl +CD4 reactions is very sensitive to the barrier height. Besides, due to the zero-point energy (ZPE) leakage of the CH4 molecule to the reaction coordinate in the quasiclassical trajectory (QCT) calculations, the reaction threshold falls below the barrier height of the PES. The ZPE leakage leads to CH3 and HCl coproducts with internal energy below its corresponding ZPEs. We have shown that a Gaussian binning (GB) analysis of the trajectories yields excitation functions in somehow better agreement with the experimental determinations. The HCl(v'=0) and DCl(v'=0) rotational distributions are as well very sensitive to the ZPE problem. The GB correction narrows and shifts the rotational distributions to lower values of the rotational quantum numbers. However, the present QCT rotational distributions are still hotter than the experimental distributions. In both reactions the angular distributions shift from backward peaked to sideways peaked as collision energy increases, as seen in the experiments and other theoretical calculations.

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.

Effect of hydrogen adsorption on the formation and annealing of Stone-Wales defects in graphene

NASA Astrophysics Data System (ADS)

Podlivaev, A. I.; Openov, L. A.

2015-12-01

The heights of energy barriers preventing the formation and annealing of Stone-Wales defects in graphene with a hydrogen atom adsorbed on the defect or in its immediate vicinity have been calculated using the atomistic computer simulation. It has been shown that, in the presence of hydrogen, both barriers are significantly lower than those in the absence of hydrogen. Based on the analysis of the potential energy surface, the frequency factors have been calculated for two different paths of the Stone-Wales transformation, and the temperature dependences of the corresponding annealing times of the defects have been found. The results obtained have been compared with the first-principles calculations and molecular dynamics data.

Room temperature current-voltage (I-V) characteristics of Ag/InGaN/n-Si Schottky barrier diode

NASA Astrophysics Data System (ADS)

Erdoğan, Erman; Kundakçı, Mutlu

2017-02-01

Metal-semiconductors (MSs) or Schottky barrier diodes (SBDs) have a significant potential in the integrated device technology. In the present paper, electrical characterization of Ag/InGaN/n-Si Schottky diode have been systematically carried out by simple Thermionic method (TE) and Norde function based on the I-V characteristics. Ag ohmic and schottky contacts are deposited on InGaN/n-Si film by thermal evaporation technique under a vacuum pressure of 1×10-5 mbar. Ideality factor, barrier height and series resistance values of this diode are determined from I-V curve. These parameters are calculated by TE and Norde methods and findings are given in a comparetive manner. The results show the consistency for both method and also good agreement with other results obtained in the literature. The value of ideality factor and barrier height have been determined to be 2.84 and 0.78 eV at room temperature using simple TE method. The value of barrier height obtained with Norde method is calculated as 0.79 eV.

New ab initio potential surfaces and three-dimensional quantum dynamics for transition state spectroscopy in ozone photodissociation

NASA Astrophysics Data System (ADS)

Yamashita, Koichi; Morokuma, Keiji; Le Quéré, Frederic; Leforestier, Claude

1992-04-01

New ab initio potential energy surfaces (PESs) of the ground and B ( 1B 2) states of ozone have been calculated with the CASSCF-SECI/DZP method to describe the three-dimensional photodissociation process. The dissociation energy of the ground state and the vertical barrier height of the B PES are obtained to be 0.88 and 1.34 eV, respectively, in better agreement with the experimental values than the previous calculation. The photodissociation autocorrelation function, calculated on the new B PES, based on exact three-dimensional quantum dynamics, reproduces well the main recurrence feature extracted from the experimental spectra.

Nanoscale Electronics from a Molecular Perspective

DTIC Science & Technology

2012-01-19

Cyclohexanethiolate Self-Assembled Monolayers with Local Barrier Height Imaging, Journal of Physical Chemistry C, (07 2011): 0. doi: 2012/01/05 20:34:27...accepted for publication in the Journal of Physical Chemistry-C regarding the adsorption, ordering, and local work function measurements for...cyclohexanethiol on Au(111): Unveiling Molecular Adsorption Geometry in Cyclohexanethiolate Self-Assembled Monolayers with Local Barrier Height Imaging

Effect of La3+ substitution with Gd3+ on the resistive switching properties of La0.7Sr0.3MnO3 thin films

NASA Astrophysics Data System (ADS)

Lee, Hong-Sub; Park, Chang-Sun; Park, Hyung-Ho

2014-05-01

This study demonstrated that the resistive switching voltage of perovskite manganite material could be controlled by A-site cation substitution in "A" MnO3 perovskite manganite structure. A partial substitution of La3+ in La0.7Sr0.3MnO3 with smaller cation Gd3+ induced A-site vacancy of the largest Sr2+ cation with surface segregation of SrOy due to ionic size mismatch, and the induced vacancies reduced migration energy barrier. The operating voltage decreased from 3.5 V to 2.5 V due to a favorable condition for electrochemical migration and redox of oxygen ions. Moreover, surface-segregated SrOy was enhanced with Gd-substitution and the SrOy reduced Schottky-like barrier height and resistive switching ratio from the potential drop and screening effect. The relationship between A-site vacancy generation resulting in surface segregation of SrOy and resistive switching behavior was also investigated by energy resolved x-ray photoelectron spectroscopy, O 1s near edge x-ray absorption spectroscopy, and current voltage measurement.

Fusion barrier characteristics of actinides

NASA Astrophysics Data System (ADS)

Manjunatha, H. C.; Sridhar, K. N.

2018-03-01

We have studied fusion barrier characteristics of actinide compound nuclei with atomic number range 89 ≤ Z ≤ 103 for all projectile target combinations. After the calculation of fusion barrier heights and positions, we have searched for their parameterization. We have achieved the empirical formula for fusion barrier heights (VB), positions (RB), curvature of the inverted parabola (ħω) of actinide compound nuclei with atomic number range 89 ≤ Z ≤ 103 for all projectile target combinations (6

Reactivity of Ala-Gly dipeptide with β-turn secondary structure

NASA Astrophysics Data System (ADS)

Yu, Craig P.; Gerlei, Klára Z.; Rágyanszki, Anita; Jensen, Svend J. Knak; Viskolcz, Béla; Csizmadia, Imre G.

2018-01-01

The conformational space of β-turns of Ala-Gly dipeptide is analyzed theoretically using quantum mechanical methods. A number of potential minima are obtained and characterized. The potential energy surface suggests that β-turn conformers are susceptible to rapid radical formation, which leads to potential L and D epimerization. The calculated thermodynamics show that the radical mediated epimerization is possible and that the estimated barrier height for hydrogen abstraction on the Cα is the lowest for the Gly residue.

Fabrication of IrSi(3)/p-Si Schottky diodes by a molecular beam epitaxy technique

NASA Technical Reports Server (NTRS)

Lin, T. L.; Iannelli, J. M.

1990-01-01

IrSi(3)/p-Si Schottky diodes have been fabricated by a molecular beam epitaxy technique at 630 C. Good surface morphology was observed for IrSi(3) layers grown at temperatures below 680 C, and an increasing tendency to form islands is observed in samples grown at higher temperatures. Good diode current-voltage characteristics were observed and Schottky barrier heights of 0.14-0.18 eV were determined by activation energy analysis and spectral response measurement.

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.

Heterostructures (CaSrBa)F2 on InP for Optoelectronics

DTIC Science & Technology

1995-01-01

as to prevent the adsorption of oxygen. The method of passivation according to our AES analysis decreases content of oxigen to less than 0.1 %ML and...intensity; 2) removal of oxigen atoms on the surface; 3) clear dependence of the Schottky barrier height on the work function of the contact metal as...fH202/H20 (2:1:1) mixture and again rinsed. In spite of these thoroughly fulfilled procedures the wafers still were contaminated with carbon and oxigen

Temperature dependent electrical characteristics of Zn/ZnSe/n-GaAs/In structure

NASA Astrophysics Data System (ADS)

Sağlam, M.; Güzeldir, B.

2016-04-01

We have reported a study of the I-V characteristics of Zn/ZnSe/n-GaAs/In sandwich structure in a wide temperature range of 80-300 K by a step of 20 K, which are prepared by Successive Ionic Layer Adsorption and Reaction (SILAR) method. The main electrical parameters, such as ideality factor and zero-bias barrier height determined from the forward bias I-V characteristics were found strongly depend on temperature and when the increased, the n decreased with increasing temperature. The ideality factor and barrier height values as a function of the sample temperature have been attributed to the presence of the lateral inhomogeneities of the barrier height. Furthermore, the series resistance have been calculated from the I-V measurements as a function of temperature dependent.

Barrier heights, polarization switching, and electrical fatigue in Pb(Zr,Ti)O3 ceramics with different electrodes

NASA Astrophysics Data System (ADS)

Chen, Feng; Schafranek, Robert; Wachau, André; Zhukov, Sergey; Glaum, Julia; Granzow, Torsten; von Seggern, Heinz; Klein, Andreas

2010-11-01

The influence of Pt, tin-doped In2O3, and RuO2 electrodes on the electrical fatigue of bulk ceramic Pb(Zr,Ti)O3 (PZT) has been studied. Schottky barrier heights at the ferroelectric/electrode interfaces vary by more than one electronvolt for different electrode materials and do not depend on crystallographic orientation of the interface. Despite different barrier heights, hysteresis loops of polarization, strain, permittivity, and piezoelectric constant and the switching kinetics are identical for all electrodes. A 20% reduction in polarization after 106 bipolar cycles is observed for all the samples. In contrast to PZT thin films, the loss of remanent polarization with bipolar switching cycles does not significantly depend on the electrode material.

G3X-K theory: A composite theoretical method for thermochemical kinetics

NASA Astrophysics Data System (ADS)

da Silva, Gabriel

2013-02-01

A composite theoretical method for accurate thermochemical kinetics, G3X-K, is described. This method is accurate to around 0.5 kcal mol-1 for barrier heights and 0.8 kcal mol-1 for enthalpies of formation. G3X-K is a modification of G3SX theory using the M06-2X density functional for structures and zero-point energies and parameterized for a test set of 223 heats of formation and 23 barrier heights. A reduced perturbation-order variant, G3X(MP3)-K, is also developed, providing around 0.7 kcal mol-1 accuracy for barrier heights and 0.9 kcal mol-1 accuracy for enthalpies, at reduced computational cost. Some opportunities to further improve Gn composite methods are identified and briefly discussed.

Viscoelastic subdiffusion: from anomalous to normal.

PubMed

Goychuk, Igor

2009-10-01

We study viscoelastic subdiffusion in bistable and periodic potentials within the generalized Langevin equation approach. Our results justify the (ultra)slow fluctuating rate view of the corresponding bistable non-Markovian dynamics which displays bursting and anticorrelation of the residence times in two potential wells. The transition kinetics is asymptotically stretched exponential when the potential barrier V0 several times exceeds thermal energy k(B)T [V(0) approximately (2-10)k(B)T] and it cannot be described by the non-Markovian rate theory (NMRT). The well-known NMRT result approximates, however, ever better with the increasing barrier height, the most probable logarithm of the residence times. Moreover, the rate description is gradually restored when the barrier height exceeds a fuzzy borderline which depends on the power-law exponent of free subdiffusion alpha . Such a potential-free subdiffusion is ergodic. Surprisingly, in periodic potentials it is not sensitive to the barrier height in the long time asymptotic limit. However, the transient to this asymptotic regime is extremally slow and it does profoundly depend on the barrier height. The time scale of such subdiffusion can exceed the mean residence time in a potential well or in a finite spatial domain by many orders of magnitude. All these features are in sharp contrast with an alternative subdiffusion mechanism involving jumps among traps with the divergent mean residence time in these traps.

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.

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.

Synchrotron Radiation and the Far-Infrared and Mid-Infrared Spectra of Ncncs

NASA Astrophysics Data System (ADS)

Winnewisser, Manfred; Winnewisser, Brenda P.; De Lucia, Frank C.; Tokaryk, Dennis; Ross, Stephen Cary; Billinghurst, Brant E.

2014-06-01

The large-amplitude in-plane bending vibration of NCNCS at 85 wn has a potential energy function which includes a barrier to linearity with a height of about 285 wn. The topology of the surface of the space defined by this two-dimensional potential function exhibits non-trivial monodromy. Therefore an energy/momentum map for a quantum system with its motion determined by such a potential takes the form of a lattice which contains a defect associated with the top of the barrier. In NCNCS, the wavenumber values of the fundamental vibrational excitation and the barrier height mean that easily accessible energy levels allow us to observe 3 bending vibrational levels below and 3 above the barrier, yet still below all of the other vibrational levels, allowing the study of all the levels in the neighborhood of the defect. In three measuring campaigns at the Canadian Light Source in May of the years 2011, 2012, and 2013 we have now obtained 8 of the 9 fundamental vibrational band systems of NCNCS in high resolution, in particular that of the large-amplitude bend in the FIR. So far only a-type spectra have been assigned. Thus we have now determined the Δvb = 1, and ΔKa = 0 vibrational intervals (using bent molecule notation) but do not yet have experimental values for either rotational ΔKa = +/- 1 intervals nor ro-vibrational Δvb = 1, ΔKa = +/- 1 intervals. In May of 2014 we will have our last measuring campaign and hope to observe the more elusive b-type transitions.

Achieving Translationally Invariant Trapped Ion Rings

NASA Astrophysics Data System (ADS)

Urban, Erik; Li, Hao-Kun; Noel, Crystal; Hemmerling, Boerge; Zhang, Xiang; Haeffner, Hartmut

2017-04-01

We present the design and implementation of a novel surface ion trap design in a ring configuration. By eliminating the need for wire bonds through the use of electrical vias and using a rotationally invariant electrode configuration, we have realized a trap that is able to trap up to 20 ions in a ring geometry 45um in diameter, 400um above the trap surface. This large trapping height to ring diameter ratio allows for global addressing of the ring with both lasers and electric fields in the chamber, thereby increasing our ability to control the ring as a whole. Applying compensating electric fields, we measure very low tangential trap frequencies (less than 20kHz) corresponding to rotational barriers down to 4mK. This measurement is currently limited by the temperature of the ions but extrapolation indicates the barrier can be reduced much further with more advanced cooling techniques. Finally, we show that we are able to reduce this energy barrier sufficiently such that the ions are able to overcome it either through thermal motion or rotational motion and delocalize over the full extent of the ring. This work was funded by the Keck Foundation and the NSF.

Another Look at the Mechanisms of Hydride Transfer Enzymes with Quantum and Classical Transition Path Sampling.

PubMed

Dzierlenga, Michael W; Antoniou, Dimitri; Schwartz, Steven D

2015-04-02

The mechanisms involved in enzymatic hydride transfer have been studied for years, but questions remain due, in part, to the difficulty of probing the effects of protein motion and hydrogen tunneling. In this study, we use transition path sampling (TPS) with normal mode centroid molecular dynamics (CMD) to calculate the barrier to hydride transfer in yeast alcohol dehydrogenase (YADH) and human heart lactate dehydrogenase (LDH). Calculation of the work applied to the hydride allowed for observation of the change in barrier height upon inclusion of quantum dynamics. Similar calculations were performed using deuterium as the transferring particle in order to approximate kinetic isotope effects (KIEs). The change in barrier height in YADH is indicative of a zero-point energy (ZPE) contribution and is evidence that catalysis occurs via a protein compression that mediates a near-barrierless hydride transfer. Calculation of the KIE using the difference in barrier height between the hydride and deuteride agreed well with experimental results.

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

Current-voltage characteristics of the semiconductor nanowires under the metal-semiconductor-metal structure

NASA Astrophysics Data System (ADS)

Wen, Jing; Zhang, Xitian; Gao, Hong; Wang, Mingjiao

2013-12-01

We present a method to calculate the I-V characteristics of semiconductor nanowires under the metal-semiconductor-metal (MSM) structure. The carrier concentration as an important parameter is introduced into the expression of the current. The subband structure of the nanowire has been considered for associating it with the position of the Fermi level and circumventing the uncertainties of the contact areas in the contacts. The tunneling and thermionic emission currents in the two Schottky barriers at the two metal-semiconductor contacts are discussed. We find that the two barriers have different influences on the I-V characteristics of the MSM structure, one of which under the forward bias plays the role of threshold voltage if its barrier height is large and the applied voltage is small, and the other under the reverse bias controls the shapes of I-V curves. Our calculations show that the shapes of the I-V curves for the MSM structure are mainly determined by the barrier heights of the contacts and the carrier concentration. The nearly identical I-V characteristics can be obtained by using different values of the barrier heights and carrier concentration, which means that the contact type conversion can be ascribed not only to the changes of the barrier heights but also that of the carrier concentration. We also discuss the mechanisms of the ohmic-Schottky conversions and clarify the ambiguity in the literature. The possibility about the variation of the carrier concentration under the applied fields has been confirmed by experimental results.

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.

Small Barriers Trigger Liftoff of Unconfined Dilute Heated Laboratory Density Currents

NASA Astrophysics Data System (ADS)

Fauria, K.; Andrews, B. J.; Manga, M.

2015-12-01

Dilute pyroclastic density currents (PDCs) are hot, turbulent, particle-laden flows that propagate because they are denser than air. PDCs can traverse tens to hundreds of kilometers and surmount ridges 100s of m tall, yet the effects of complex topography on PDC liftoff and runout distance are uncertain. Here we used scaled laboratory experiments to explore how barriers affect dilute density current dynamics and the occurrence of liftoff. We created dilute density currents by heating and suspending 20 μm diameter talc in air in an 8.5 x 6.1 x 2.6 m tank. We scaled the currents with respect to Froude, densimetric and thermal Richardson, particle Stokes and Settling numbers such that they were dynamically similar to natural PDCs. While currents were fully turbulent, their Reynolds numbers were not as high as those for natural PDCs. We performed the first set of experiments in a laterally unconfined volume, used laser sheets to illuminate the currents, measured bulk sedimentation rates down the current centerlines, and positioned four to twenty-four cm tall ridge-like barriers in the path of the currents. We found that relatively small barriers (~ half the current height) caused PDC liftoff. By comparison, conservation of kinetic and potential energy predicts that incompressible density currents are able to surmount barriers twice their height. Furthermore, we observed increased sedimentation immediately upstream of barriers and conclude that small barriers initiated buoyancy reversal through a combination of increased air entrainment and sedimentation. We conducted a second set of experiments with the same thermal scaling and mass flux rates but where the currents were laterally confined within a 0.6 m wide channel. We found that small barriers also triggered liftoff of confined currents, but that the body of these currents reattached after liftoff. Those results suggest that lateral confinement inhibits buoyancy reversal by limiting the surface area of the current-air interface and air entrainment. Real dilute PDCs that originate in confined valleys may therefore have different fates and longer runout distances than those on unconfined planes.

Study of barrier height and trap centers of Au/n-Hg{sub 3}In{sub 2}Te{sub 6} Schottky contacts by current-voltage (I-V) characteristics and deep level transient spectroscopy

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

Li, Yapeng; Fu, Li, E-mail: fuli@nwpu.edu.cn; Sun, Jie

2015-02-28

The temperature-dependent electrical characteristics of the Au/n-Hg{sub 3}In{sub 2}Te{sub 6} Schottky contact have been studied at the temperature range of 140 K–315 K. Based on the thermionic emission theory, the ideality factor and Schottky barrier height were calculated to decrease and increase from 3.18 to 1.88 and 0.39 eV to 0.5 eV, respectively, when the temperature rose from 140 K to 315 K. This behavior was interpreted by the lateral inhomogeneities of Schottky barrier height at the interface of Au/n-Hg{sub 3}In{sub 2}Te{sub 6} contact, which was shown by the plot of zero-bias barrier heights Φ{sub bo} versus q/2kT. Meanwhile, it was found that the Schottky barriermore » height with a Gaussian distribution was 0.67 eV and the standard deviation σ{sub 0} was about 0.092 eV, indicating that the uneven distribution of barrier height at the interface region. In addition, the mean value of Φ{sup ¯}{sub b0} and modified Richardson constant was determined to be 0.723 eV and 62.8 A/cm{sup 2}K{sup 2} from the slope and intercept of the ln(I{sub o}/T{sup 2}) – (qσ{sub 0}{sup 2}/2k{sup 2}T{sup 2}) versus q/kT plot, respectively. Finally, two electron trap centers were observed at the interface of Au/n-Hg{sub 3}In{sub 2}Te{sub 6} Schottky contact by means of deep level transient spectroscopy.« less

Study on formation of step bunching on 6H-SiC (0001) surface by kinetic Monte Carlo method

NASA Astrophysics Data System (ADS)

Li, Yuan; Chen, Xuejiang; Su, Juan

2016-05-01

The formation and evolution of step bunching during step-flow growth of 6H-SiC (0001) surfaces were studied by three-dimensional kinetic Monte Carlo (KMC) method and compared with the analytic model based on the theory of Burton-Cabera-Frank (BCF). In the KMC model the crystal lattice was represented by a structured mesh which fixed the position of atoms and interatomic bonding. The events considered in the model were adatoms adsorption and diffusion on the terrace, and adatoms attachment, detachment and interlayer transport at the step edges. In addition, effects of Ehrlich-Schwoebel (ES) barriers at downward step edges and incorporation barriers at upwards step edges were also considered. In order to obtain more elaborate information for the behavior of atoms in the crystal surface, silicon and carbon atoms were treated as the minimal diffusing species. KMC simulation results showed that multiple-height steps were formed on the vicinal surface oriented toward [ 1 1 bar 00 ] or [ 11 2 bar 0 ] directions. And then the formation mechanism of the step bunching was analyzed. Finally, to further analyze the formation processes of step bunching, a one-dimensional BCF analytic model with ES and incorporation barriers was used, and then it was solved numerically. In the BCF model, the periodic boundary conditions (PBC) were applied, and the parameters were corresponded to those used in the KMC model. The evolution character of step bunching was consistent with the results obtained by KMC simulation.

Gate-controlled tunneling of quantum Hall edge states in bilayer graphene

NASA Astrophysics Data System (ADS)

Zhu, Jun; Li, Jing; Wen, Hua

Controlled tunneling of integer and fractional quantum Hall edge states provides a powerful tool to probe the physics of 1D systems and exotic particle statistics. Experiments in GaAs 2DEGs employ either a quantum point contact or a line junction tunnel barrier. It is generally difficult to independently control the filling factors νL and νR on the two sides of the barrier. Here we show that in bilayer graphene both νL and νR as well as their Landau level structures can be independently controlled using a dual-split-gate structure. In addition, the height of the line-junction tunnel barrier implemented in our experiments is tunable via a 5th gate. By measuring the tunneling resistance across the junction RT we examine the equilibration of the edge states in a variety of νL/νR scenarios and under different barrier heights. Edge states from both sides are fully mixed in the case of a low barrier. As the barrier height increases, we observe plateaus in RT that correspond to sequential complete backscattering of edge states. Gate-controlled manipulation of edge states offers a new angle to the exploration of quantum Hall magnetism and fractional quantum Hall effect in bilayer graphene.

Physical aspects of colossal dielectric constant material CaCu3Ti4O12 thin films

NASA Astrophysics Data System (ADS)

Deng, Guochu; He, Zhangbin; Muralt, Paul

2009-04-01

The underlying physical mechanism of the so-called colossal dielectric constant phenomenon in CaCu3Ti4O12 (CCTO) thin films were investigated by using semiconductor theories and methods. The semiconductivity of CCTO thin films originated from the acceptor defect at a level ˜90 meV higher than valence band. Two contact types, metal-semiconductor and metal-insulator-semiconductor junctions, were observed and their barrier heights, and impurity concentrations were theoretically calculated. Accordingly, the Schottky barrier height of metal-semiconductor contact is about 0.8 eV, and the diffusion barrier height of metal-insulator-semiconductor contact is about 0.4-0.7 eV. The defect concentrations of both samples are quite similar, of the magnitude of 1019 cm-3, indicating an inherent feature of high defect concentration.

Schottky nanocontact of one-dimensional semiconductor nanostructures probed by using conductive atomic force microscopy

NASA Astrophysics Data System (ADS)

Lee, Jung Ah; Rok Lim, Young; Jung, Chan Su; Choi, Jun Hee; Im, Hyung Soon; Park, Kidong; Park, Jeunghee; Kim, Gyu Tae

2016-10-01

To develop the advanced electronic devices, the surface/interface of each component must be carefully considered. Here, we investigate the electrical properties of metal-semiconductor nanoscale junction using conductive atomic force microscopy (C-AFM). Single-crystalline CdS, CdSe, and ZnO one-dimensional nanostructures are synthesized via chemical vapor transport, and individual nanobelts (or nanowires) are used to fabricate nanojunction electrodes. The current-voltage (I -V) curves are obtained by placing a C-AFM metal (PtIr) tip as a movable contact on the nanobelt (or nanowire), and often exhibit a resistive switching behavior that is rationalized by the Schottky (high resistance state) and ohmic (low resistance state) contacts between the metal and semiconductor. We obtain the Schottky barrier height and the ideality factor through fitting analysis of the I-V curves. The present nanojunction devices exhibit a lower Schottky barrier height and a higher ideality factor than those of the bulk materials, which is consistent with the findings of previous works on nanostructures. It is shown that C-AFM is a powerful tool for characterization of the Schottky contact of conducting channels between semiconductor nanostructures and metal electrodes.

Wave Overtopping of a Barrier Beach

NASA Astrophysics Data System (ADS)

Thornton, E. B.; Laudier, N.; Macmahan, J. H.

2009-12-01

The rate of wave overtopping of a barrier beach is measured and modeled as a first step in modeling the breaching of a beach impounding an ephemeral river. Unique rate of wave overtopping data are obtained from the measure of the Carmel River, California, lagoon filling during a time when the lagoon is closed-off and there is no river inflow. Volume changes are calculated from measured lagoon height changes owing to wave overtopping by a stage-volume curve, then center differenced and averaged to provide volume rates of change in the lagoon. Wave height and period are obtained from CDIP MOPS directional wave spectra data in 15m fronting the beach. Beach morphology was measured by GPS walking surveys and interpolated for beach slopes and berm heights. Three empirical overtopping models by van der Meer and Janssen (1995), Hedges and Reis (1998) and Pullen et al. (2007) with differing parameterizations on wave height, period and beach slope and calibrated using extensive laboratory data obtained over plane, impermeable beaches are compared with the data. In addition, the run-up model by Stockdon et al. (2006) based on field data is examined. Three wave overtopping storm events are considered when morphology data were available less than 2 weeks prior to the event. The models are tuned to fit the data using a reduction factor to account for beach permeability, berm characteristics, non-normal wave incidence and surface roughness influence. It is concluded that the Stockdon et al. (2006) model underestimates run-up as no overtopping is predicted with this model. The three empirical overtopping models behaved similarly well with regression coefficients ranging 0.72 to 0.86 using a reasonable range of reduction factors 0.66 - 0.81 with an average of 0.74.

Very low Schottky barrier height at carbon nanotube and silicon carbide interface

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

Inaba, Masafumi, E-mail: inaba-ma@ruri.waseda.jp; Suzuki, Kazuma; Shibuya, Megumi

2015-03-23

Electrical contacts to silicon carbide with low contact resistivity and high current durability are crucial for future SiC power devices, especially miniaturized vertical-type devices. A carbon nanotube (CNT) forest formed by silicon carbide (SiC) decomposition is a densely packed forest, and is ideal for use as a heat-dissipative ohmic contact in SiC power transistors. The contact resistivity and Schottky barrier height in a Ti/CNT/SiC system with various SiC dopant concentrations were evaluated in this study. Contact resistivity was evaluated in relation to contact area. The Schottky barrier height was calculated from the contact resistivity. As a result, the Ti/CNT/SiC contactmore » resistivity at a dopant concentration of 3 × 10{sup 18 }cm{sup −3} was estimated to be ∼1.3 × 10{sup −4} Ω cm{sup 2} and the Schottky barrier height of the CNT/SiC contact was in the range of 0.40–0.45 eV. The resistivity is relatively low for SiC contacts, showing that CNTs have the potential to be a good ohmic contact material for SiC power electronic devices.« less

Process for preparing schottky diode contacts with predetermined barrier heights

DOEpatents

Chang, Y. Austin; Jan, Chia-Hong; Chen, Chia-Ping

1996-01-01

A process is provided for producing a Schottky diode having a preselected barrier height .phi..sub.Bn. The substrate is preferably n-GaAs, the metallic contact is derived from a starting alloy of the Formula [.SIGMA.M.sub..delta. ](Al.sub.x Ga.sub.1-x) wherein: .SIGMA.M is a moiety which consists of at least one M, and when more than one M is present, each M is different, M is a Group VIII metal selected from the group consisting of nickel, cobalt, ruthenium, rhodium, indium and platinum, .delta. is a stoichiometric coefficient whose total value in any given .SIGMA.M moiety is 1, and x is a positive number between 0 and 1 (that is, x ranges from greater than 0 to less than 1). Also, the starting alloy is capable of forming with the substrate a two phase equilibrium reciprocal system of the binary alloy mixture [.SIGMA.M.sub..delta. ]Ga-[.SIGMA.M.sub..delta. ]Al-AlAs-GaAs. When members of an alloy subclass within this Formula are each preliminarily correlated with the barrier height .phi..sub.Bn of a contact producable therewith, then Schottky diodes of predetermined barrier heights are producable by sputtering and annealing. Further provided are the product Schottky diodes that are produced according to this process.

The substitution reaction of (CNC)Fe-2N₂ with CO.

PubMed

Liu, Hongyan; Liu, Shuangshuang; Zhang, Xiang

2013-06-01

The substitution mechanism of two N₂ ligands in (CNC)Fe-2N₂ replaced by CO was studied theoretically at the B3LYP/LACVP* level. Both SN1 and SN₂ mechanisms were considered. The calculated results for the gas phase suggested that: 1) in SN1 mechanism, N₂ elimination, which involves S₀-T₁ PESs crossing, is the rate control step for both substitution stages. The barrier heights are 9.7 kcal mol(-1) and 13.05 kcal mol(-1), respectively. 2) In SN2 mechanism, the calculated barrier heights on LS PES are respectively 13.7 and 19.83 kcal mol(-1) for the two substitution steps, but S₀-T₁ PESs crossing lowers the two barriers to 10.7 and 15.7 kcal mol(-1), respectively. 3) Inclusion of solvation effect of THF by PCM model, the relative energies of all the key species (including minima, transition states and S₀-T₁ crossing points) do not have great difference from their gas phase relative energies. Considering that for each substitution step, SN1 barrier heights is slightly smaller than SN2 barrier, SN1 mechanism seems to be slightly preferable to SN2 mechanism.

Comparative Study on Graded-Barrier AlxGa1‑xN/AlN/GaN/Si Metal-Oxide-Semiconductor Heterostructure Field-Effect Transistor by Using Ultrasonic Spray Pyrolysis Deposition Technique

NASA Astrophysics Data System (ADS)

Lee, Ching-Sung; Hsu, Wei-Chou; Huang, Yi-Ping; Liu, Han-Yin; Yang, Wen-Luh; Yang, Shen-Tin

2018-06-01

Comparative study on a novel Al2O3-dielectric graded-barrier (GB) AlxGa1‑xN/AlN/GaN/Si (x = 0.22 ∼ 0.3) metal-oxide-semiconductor heterostructure field-effect transistor (MOS-HFET) formed by using the ultrasonic spray pyrolysis deposition (USPD) technique has been made with respect to a conventional-barrier (CB) Al0.26Ga0.74N/AlN/GaN/Si MOS-HFET and the reference Schottky-gate HFET devices. The GB AlxGa1‑xN was devised to improve the interfacial quality and enhance the Schottky barrier height at the same time. A cost-effective ultrasonic spray pyrolysis deposition (USPD) method was used to form the high-k Al2O3 gate dielectric and surface passivation on the AlGaN barrier of the present MOS-HFETs. Comprehensive device performances, including maximum extrinsic transconductance (g m,max), maximum drain-source current density (I DS,max), gate-voltage swing (GVS) linearity, breakdown voltages, subthreshold swing (SS), on/off current ratio (I on /I off ), high frequencies, and power performance are investigated.

Roadside barrier effectiveness : noise measurement program

DOT National Transportation Integrated Search

1978-04-01

A field noise measurement program was conducted to assess the performance of a variable height highway noise barrier with and without an acoustic lining material. The barrier site on Interstate I-93 in Andover MA was located adjacent to an acoustical...

Insulation Resistance Degradation in Ni-BaTiO3 Multilayer Ceramic Capacitors

NASA Technical Reports Server (NTRS)

Liu, Donhang (David)

2015-01-01

Insulation resistance (IR) degradation in Ni-BaTiO3 multilayer ceramic capacitors has been characterized by the measurement of both time to failure and direct-current (DC) leakage current as a function of stress time under highly accelerated life test conditions. The measured leakage current-time dependence data fit well to an exponential form, and a characteristic growth time ?SD can be determined. A greater value of tau(sub SD) represents a slower IR degradation process. Oxygen vacancy migration and localization at the grain boundary region results in the reduction of the Schottky barrier height and has been found to be the main reason for IR degradation in Ni-BaTiO3 capacitors. The reduction of barrier height as a function of time follows an exponential relation of phi (??)=phi (0)e(exp -2?t), where the degradation rate constant ??=??o??(????/????) is inversely proportional to the mean time to failure (MTTF) and can be determined using an Arrhenius plot. For oxygen vacancy electromigration, a lower barrier height phi(0) will favor a slow IR degradation process, but a lower phi(0) will also promote electronic carrier conduction across the barrier and decrease the insulation resistance. As a result, a moderate barrier height phi(0) (and therefore a moderate IR value) with a longer MTTF (smaller degradation rate constant ??) will result in a minimized IR degradation process and the most improved reliability in Ni-BaTiO3 multilayer ceramic capacitors.

Insulation Resistance Degradation in Ni-BaTiO3 Multilayer Ceramic Capacitors

NASA Technical Reports Server (NTRS)

Liu, Donhang David

2015-01-01

Insulation resistance (IR) degradation in NiBaTiO3 multilayer ceramic capacitors has been characterized by the measurement of both time to failure (TTF) and direct current leakage current as a function of stress time under highly accelerated life test conditions. The measured leakage current time dependence data fit well to an exponential form, and a characteristic growth time tau (sub SD) can be determined. A greater value of tau (sub SD) represents a slower IR degradation process. Oxygen vacancy migration and localization at the grain boundary region results in the reduction of the Schottky barrier height and has been found to be the main reason for IR degradation in NiBaTiO3 capacitors. The reduction of barrier height as a function oftime follows an exponential relation of phi (t ) = phi (0) e (exp -2Kt), where 13 the degradation rate constant K Koe (Ek/kT) is inversely proportional to the mean TTF (MTTF) and can be determined using an Arrhenius plot. For oxygen vacancy electromigration, a lower barrier height phi (0) will favor a slow IR degradation process, but a lower phi (0) will also promote electronic carrier conduction across the barrier and decrease the IR. As a result, a moderate barrier height phi (0) (and therefore a moderate IR value) with a longer MTTF (smaller degradation rate constant K) will result in a minimized IR degradation process and the most improved reliability in NiBaTiO3 multilayer ceramic capacitors.

Using a Bayesian network to predict barrier island geomorphologic characteristics

USGS Publications Warehouse

Gutierrez, Ben; Plant, Nathaniel G.; Thieler, E. Robert; Turecek, Aaron

2015-01-01

Quantifying geomorphic variability of coastal environments is important for understanding and describing the vulnerability of coastal topography, infrastructure, and ecosystems to future storms and sea level rise. Here we use a Bayesian network (BN) to test the importance of multiple interactions between barrier island geomorphic variables. This approach models complex interactions and handles uncertainty, which is intrinsic to future sea level rise, storminess, or anthropogenic processes (e.g., beach nourishment and other forms of coastal management). The BN was developed and tested at Assateague Island, Maryland/Virginia, USA, a barrier island with sufficient geomorphic and temporal variability to evaluate our approach. We tested the ability to predict dune height, beach width, and beach height variables using inputs that included longer-term, larger-scale, or external variables (historical shoreline change rates, distances to inlets, barrier width, mean barrier elevation, and anthropogenic modification). Data sets from three different years spanning nearly a decade sampled substantial temporal variability and serve as a proxy for analysis of future conditions. We show that distinct geomorphic conditions are associated with different long-term shoreline change rates and that the most skillful predictions of dune height, beach width, and beach height depend on including multiple input variables simultaneously. The predictive relationships are robust to variations in the amount of input data and to variations in model complexity. The resulting model can be used to evaluate scenarios related to coastal management plans and/or future scenarios where shoreline change rates may differ from those observed historically.

A three-dimensional semianalytical model of hydraulic fracture growth through weak barriers

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

Luiskutty, C.T.; Tomutes, L.; Palmer, I.D.

1989-08-01

The goal of this research was to develop a fracture model for length/height ratio {le}4 that includes 2D flow (and a line source corresponding to the perforated interval) but makes approximations that allow a semianalytical solution, with large computer-time savings over the fully numerical mode. The height, maximum width, and pressure at the wellbore in this semianalytical model are calculated and compared with the results of the fully three-dimensional (3D) model. There is reasonable agreement in all parameters, the maximum discrepancy being 24%. Comparisons of fracture volume and leakoff volume also show reasonable agreement in volume and fluid efficiencies. Themore » values of length/height ratio, in the four cases in which agreement is found, vary from 1.5 to 3.7. The model offers a useful first-order (or screening) calculation of fracture-height growth through weak barriers (e.g., low stress contrasts). When coupled with the model developed for highly elongated fractures of length/height ratio {ge}4, which are also found to be in basic agreement with the fully numerical model, this new model provides the capability for approximating fracture-height growth through barriers for vertical fracture shapes that vary from penny to highly elongated. The computer time required is estimated to be less than the time required for the fully numerical model by a factor of 10 or more.« less

An antithetic variate to facilitate upper-stem height measurements for critical height sampling with importance sampling

Treesearch

Thomas B. Lynch; Jeffrey H. Gove

2013-01-01

Critical height sampling (CHS) estimates cubic volume per unit area by multiplying the sum of critical heights measured on trees tallied in a horizontal point sample (HPS) by the HPS basal area factor. One of the barriers to practical application of CHS is the fact that trees near the field location of the point-sampling sample point have critical heights that occur...

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.

Steric, Quantum, and Electrostatic Effects on SN2 Reaction Barriers in Gas Phase

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

Liu, Shubin; Hu, Hao; Pedersen, Lee G.

2010-05-13

Biomolecular nucleophilic substitution reactions, S{sub N}2, are fundamental and commonplace in chemistry. It is the well-documented experimental finding in the literature that vicinal substitution with bulkier groups near the reaction center significantly slows the reaction due to steric hindrance, but theoretical understanding in the quantitative manner about factors dictating the S{sub N}2 reaction barrier height is still controversial. In this work, employing the new quantification approach that we recently proposed for the steric effect from the density functional theory framework, we investigate the relative contribution of three independent effects—steric, electrostatic, and quantum—to the S{sub N}2 barrier heights in gas phasemore » for substituted methyl halide systems, R{sub 1}R{sub 2}R{sub 3}CX, reacting with the fluorine anion, where R{sub 1}, R{sub 2}, and R{sub 3} denote substituting groups and X = F or Cl. We found that in accordance with the experimental finding, for these systems, the steric effect dominates the transition state barrier, contributing positively to barrier heights, but this contribution is largely compensated by the negative, stabilizing contribution from the quantum effect due to the exchange-correlation interactions. Moreover, we find that it is the component from the electrostatic effect that is linearly correlated with the S{sub N}2 barrier height for the systems investigated in the present study. In addition, we compared our approach with the conventional method of energy decomposition in density functional theory as well as examined the steric effect from the wave function theory for these systems via natural bond orbital analysis.« less

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.

Electrical properties of Al foil/n-4H-SiC Schottky junctions fabricated by surface-activated bonding

NASA Astrophysics Data System (ADS)

Morita, Sho; Liang, Jianbo; Matsubara, Moeko; Dhamrin, Marwan; Nishio, Yoshitaka; Shigekawa, Naoteru

2018-02-01

We fabricate 17-µm-thick Al foil/n-4H-SiC Schottky junctions by surface-activated bonding. Their current-voltage and capacitance-voltage characteristics are compared with those of Schottky junctions fabricated by evaporating Al layers on n-4H-SiC epilayers. We find that the ideality factor of Al foil/SiC junctions is larger than that of conventional junctions, which is due to the irradiation of the fast atom beam (FAB) of Ar. The ideality factor of Al foil/SiC junctions is improved by annealing at 400 °C. We also find that the Schottky barrier height is increased by FAB irradiation, which is likely to be due to the negative charges formed at SiC surfaces.

Comment on Chem. Phys. Lett. 371 (2003) 568: Barrier height for dissociation of acetaldehyde, CH 3CHO → CH 3 + HCO, in the triplet state T 1

NASA Astrophysics Data System (ADS)

Robert Huber, J.

2003-08-01

Based on recently reported experimental results from various groups, the barrier height (or transition state energy) for the T 1 dissociation of acetaldehyde, CH 3CHO → CH 3 + HCO, is determined to lie between 12.3 and 12.9 kcal mol -1. This result is compared with predictions from recent ab initio calculations.

Fission properties of Po isotopes in different macroscopic-microscopic models

NASA Astrophysics Data System (ADS)

Bartel, J.; Pomorski, K.; Nerlo-Pomorska, B.; Schmitt, Ch

2015-11-01

Fission-barrier heights of nuclei in the Po isotopic chain are investigated in several macroscopic-microscopic models. Using the Yukawa-folded single-particle potential, the Lublin-Strasbourg drop (LSD) model, the Strutinsky shell-correction method to yield the shell corrections and the BCS theory for the pairing contributions, fission-barrier heights are calculated and found in quite good agreement with the experimental data. This turns out, however, to be only the case when the underlying macroscopic, liquid-drop (LD) type, theory is well chosen. Together with the LSD approach, different LD parametrizations proposed by Moretto et al are tested. Four deformation parameters describing respectively elongation, neck-formation, reflectional-asymmetric, and non-axiality of the nuclear shape thus defining the so called modified Funny Hills shape parametrization are used in the calculation. The present study clearly demonstrates that nuclear fission-barrier heights constitute a challenging and selective tool to discern between such different macroscopic approaches.

An all-carbon vdW heterojunction composed of penta-graphene and graphene: Tuning the Schottky barrier by electrostatic gating or nitrogen doping

NASA Astrophysics Data System (ADS)

Guo, Yaguang; Wang, Fancy Qian; Wang, Qian

2017-08-01

The non-zero band gap together with other unique properties endows penta-graphene with potential for device applications. Here, we study the performance of penta-graphene as the channel material contacting with graphene to form a van der Waals heterostructure. Based on first-principles calculations, we show that the intrinsic properties of penta-graphene are preserved in the heterojunction, which is different from the conventional contact with metal surfaces. The stacked system forms an n-type Schottky barrier (Φe) at the vertical interface, while a negative band bending occurs at the lateral interface in a current-in-plane model. From the device point of view, we further demonstrate that a low-Φe or an Ohmic contact can be realized by applying an external electric field or doping graphene with nitrogen atoms. This allows the control of the Schottky barrier height, which is essential in fabricating penta-graphene-based nanotransistors.

Performance of RF sputtered p-Si/n-ZnO nanoparticle thin film heterojunction diodes in high temperature environment

NASA Astrophysics Data System (ADS)

Singh, Satyendra Kumar; Hazra, Purnima

2017-04-01

In this article, temperature-dependent current-voltage characteristics of n-ZnO/p-Si nanoparticle thin film heterojunction diode grown by RF sputtering technique are analyzed in the temperature range of 300-433 k to investigate the performance of the device in high temperature environment. The microstructural, morphological, optical and temptrature dependent electrical properties of as-grown nanoparticle thin film were characterized by X-ray diffractometer (XRD), atomic force microscopy (AFM), field emmision scanning electron microscopy (FESEM), energy-dispersive X-ray spectroscopy (EDX), variable angle ellipsometer and semiconductor device analyzer. XRD spectra of as-grown ZnO films are exhibited that highly c-axis oriented ZnO nanostructures are grown on p- Si〈100〉 substrate whereas AFM and FESEM images confirm the homogeneous deposition of ZnO nanoparticles on surface of Si substratewith minimum roughness.The optical propertiesof as-grown ZnO nanoparticles have been measured in the spectral range of 300-800 nm using variable angle ellipsometer.To measure electrical parameters of the device prototype in the temperature range of room temperature (300 K) to 433 K, large area ohmic contacts were fabricated on both side of the ZnO/Si heterostructure. From the current-voltage charcteristics of ZnO/Si heterojunction device, it is observed that the device exhibits rectifing nature at room temperature. However, with increase in temperature, reverse saturation current and barrier height are found to increase, whereas ideality factor is started decreasing. This phenomenon confirms that barrier inhomogeneities are present at the interface of ZnO/Si heterojunction, as a result of lattice constant and thermal coefficient mismatch between Si and ZnO. Therefore, a modified value of Richardson constant [33.06 Acm-2K-2] has been extracted from the temperature-dependent electrical characteristics after assuming the Gaussian distribution of special barrier height inhomogeneities across the Si/ZnO interface which is close to its theoretical value [32 Acm-2K-2]. This result indicates that regardless of presence of barrier height inmogeneities, ZnO/Si heterojunction diode still hasability to perform well in high temperature environment.

Barrier height modification and mechanism of carrier transport in Ni/in situ grown Si3N4/n-GaN Schottky contacts

NASA Astrophysics Data System (ADS)

Karpov, S. Y.; Zakheim, D. A.; Lundin, W. V.; Sakharov, A. V.; Zavarin, E. E.; Brunkov, P. N.; Lundina, E. Y.; Tsatsulnikov, A. F.

2018-02-01

In situ growth of an ultra-thin (up to 2.5 nm) Si3N4 film on the top of n-GaN is shown to reduce remarkably the height of the barrier formed by deposition of Ni-based Schottky contact. The reduction is interpreted in terms of polarization dipole induced at the Si3N4/n-GaN interface and Fermi level pinning at the Ni/Si3N4 interface. Detailed study of temperature-dependent current-voltage characteristics enables identification of the electron transport mechanism in such Schottky diodes under forward bias: thermal/field electron emission over the barrier formed in n-GaN followed by tunneling through the Si3N4 film. At reverse bias and room temperature, the charge transfer is likely controlled by Poole-Frenkel ionization of deep traps in n-GaN. Tunneling exponents at forward and reverse biases and the height of the Ni/Si3N4 Schottky barrier are evaluated experimentally and compared with theoretical predictions.

Electrical properties of nano-resistors made from the Zr-doped HfO2 high-k dielectric film

NASA Astrophysics Data System (ADS)

Zhang, Shumao; Kuo, Yue

2018-03-01

Electrical properties of nano-sized resistors made from the breakdown of the metal-oxide-semiconductor capacitor composed of the amorphous high-k gate dielectric have been investigated under different stress voltages and temperatures. The effective resistance of nano-resistors in the device was estimated from the I-V curve in the high voltage range. It decreased with the increase of the number of resistors. The resistance showed complicated temperature dependence, i.e. it neither behaves like a conductor nor a semiconductor. In the low voltage operation range, the charge transfer was controlled by the Schottky barrier at the nano-resistor/Si interface. The barrier height decreased with the increase of stress voltage, which was probably caused by the change of the nano-resistor composition. Separately, it was observed that the barrier height was dependent on the temperature, which was probably due to the dynamic nano-resistor formation process and the inhomogeneous barrier height distribution. The unique electrical characteristics of this new type of nano-resistors are important for many electronic and optoelectronic applications.

Schottky barrier diode based on β-Ga2O3 (100) single crystal substrate and its temperature-dependent electrical characteristics

NASA Astrophysics Data System (ADS)

He, Qiming; Mu, Wenxiang; Dong, Hang; Long, Shibing; Jia, Zhitai; Lv, Hangbing; Liu, Qi; Tang, Minghua; Tao, Xutang; Liu, Ming

2017-02-01

The Pt/β-Ga2O3 Schottky barrier diode and its temperature-dependent current-voltage characteristics were investigated for power device application. The edge-defined film-fed growth (EFG) technique was utilized to grow the (100)-oriented β-Ga2O3 single crystal substrate that shows good crystal quality characterized by X-ray diffraction and high resolution transmission electron microscope. Ohmic and Schottky electrodes were fabricated by depositing Ti and Pt metals on the two surfaces, respectively. Through the current-voltage (I-V) measurement under different temperature and the thermionic emission modeling, the fabricated Pt/β-Ga2O3 Schottky diode was found to show good performances at room temperature, including rectification ratio of 1010, ideality factor (n) of 1.1, Schottky barrier height (ΦB) of 1.39 eV, threshold voltage (Vbi) of 1.07 V, ON-resistance (RON) of 12.5 mΩ.cm2, forward current density at 2 V (J@2V) of 56 A/cm2, and saturation current density (J0) of 2 × 10-16 A/cm2. The effective donor concentration Nd - Na was calculated to be about 2.3 × 1014 cm3. Good temperature dependent performance was also found in the device. The Schottky barrier height was estimated to be about 1.3 eV-1.39 eV at temperatures ranging from room temperature to 150 °C. With increasing temperature, parameters such as RON and J@2V become better, proving that the diode can work well at high temperature. The EFG grown β-Ga2O3 single crystal is a promising material to be used in the power devices.

Assessing theoretical uncertainties in fission barriers of superheavy nuclei

DOE PAGES

Agbemava, S. E.; Afanasjev, A. V.; Ray, D.; ...

2017-05-26

Here, theoretical uncertainties in the predictions of inner fission barrier heights in superheavy elements have been investigated in a systematic way for a set of state-of-the-art covariant energy density functionals which represent major classes of the functionals used in covariant density functional theory. They differ in basic model assumptions and fitting protocols. Both systematic and statistical uncertainties have been quantified where the former turn out to be larger. Systematic uncertainties are substantial in superheavy elements and their behavior as a function of proton and neutron numbers contains a large random component. The benchmarking of the functionals to the experimental datamore » on fission barriers in the actinides allows to reduce the systematic theoretical uncertainties for the inner fission barriers of unknown superheavy elements. However, even then they on average increase on moving away from the region where benchmarking has been performed. In addition, a comparison with the results of non-relativistic approaches is performed in order to define full systematic theoretical uncertainties over the state-of-the-art models. Even for the models benchmarked in the actinides, the difference in the inner fission barrier height of some superheavy elements reaches $5-6$ MeV. This uncertainty in the fission barrier heights will translate into huge (many tens of the orders of magnitude) uncertainties in the spontaneous fission half-lives.« less

Highly sensitive hydrogen sensor based on graphite-InP or graphite-GaN Schottky barrier with electrophoretically deposited Pd nanoparticles

PubMed Central

2011-01-01

Depositions on surfaces of semiconductor wafers of InP and GaN were performed from isooctane colloid solutions of palladium (Pd) nanoparticles (NPs) in AOT reverse micelles. Pd NPs in evaporated colloid and in layers deposited electrophoretically were monitored by SEM. Diodes were prepared by making Schottky contacts with colloidal graphite on semiconductor surfaces previously deposited with Pd NPs and ohmic contacts on blank surfaces. Forward and reverse current-voltage characteristics of the diodes showed high rectification ratio and high Schottky barrier heights, giving evidence of very small Fermi level pinning. A large increase of current was observed after exposing diodes to flow of gas blend hydrogen in nitrogen. Current change ratio about 700,000 with 0.1% hydrogen blend was achieved, which is more than two orders-of-magnitude improvement over the best result reported previously. Hydrogen detection limit of the diodes was estimated at 1 ppm H2/N2. The diodes, besides this extremely high sensitivity, have been temporally stable and of inexpensive production. Relatively more expensive GaN diodes have potential for functionality at high temperatures. PMID:21831273

Clustering on Magnesium Surfaces - Formation and Diffusion Energies.

PubMed

Chu, Haijian; Huang, Hanchen; Wang, Jian

2017-07-12

The formation and diffusion energies of atomic clusters on Mg surfaces determine the surface roughness and formation of faulted structure, which in turn affect the mechanical deformation of Mg. This paper reports first principles density function theory (DFT) based quantum mechanics calculation results of atomic clustering on the low energy surfaces {0001} and [Formula: see text]. In parallel, molecular statics calculations serve to test the validity of two interatomic potentials and to extend the scope of the DFT studies. On a {0001} surface, a compact cluster consisting of few than three atoms energetically prefers a face-centered-cubic stacking, to serve as a nucleus of stacking fault. On a [Formula: see text], clusters of any size always prefer hexagonal-close-packed stacking. Adatom diffusion on surface [Formula: see text] is high anisotropic while isotropic on surface (0001). Three-dimensional Ehrlich-Schwoebel barriers converge as the step height is three atomic layers or thicker. Adatom diffusion along steps is via hopping mechanism, and that down steps is via exchange mechanism.

Thermodynamics and kinetics of graphene chemistry: a graphene hydrogenation prototype study.

PubMed

Pham, Buu Q; Gordon, Mark S

2016-12-07

The thermodynamic and kinetic controls of graphene chemistry are studied computationally using a graphene hydrogenation reaction and polyaromatic hydrocarbons to represent the graphene surface. Hydrogen atoms are concertedly chemisorped onto the surface of graphene models of different shapes (i.e., all-zigzag, all-armchair, zigzag-armchair mixed edges) and sizes (i.e., from 16-42 carbon atoms). The second-order Z-averaged perturbation theory (ZAPT2) method combined with Pople double and triple zeta basis sets are used for all calculations. It is found that both the net enthalpy change and the barrier height of graphene hydrogenation at graphene edges are lower than at their interior surfaces. While the thermodynamic product distribution is mainly determined by the remaining π-islands of functionalized graphenes (Phys. Chem. Chem. Phys., 2013, 15, 3725-3735), the kinetics of the reaction is primarily correlated with the localization of the electrostatic potential of the graphene surface.

Microstructural, electrical and frequency-dependent properties of Au/p-Cu2ZnSnS4/n-GaN heterojunction.

PubMed

Rajagopal Reddy, V; Janardhanam, V; Won, Jonghan; Choi, Chel-Jong

2017-08-01

An Au/Cu 2 ZnSnS 4 (CZTS)/n-GaN heterojunction (HJ) is fabricated with a CZTS interlayer and probed its chemical states, structural, electrical and frequency-dependent characteristics by XPS, TEM, I-V and C-V measurements. XPS and TEM results confirmed that the CZTS films are formed on the n-GaN surface. The band gap of deposited CZTS film is found to be 1.55eV. The electrical properties of HJ correlated with the Au/n-GaN Schottky junction (SJ). The Au/CZTS/n-GaN HJ reveals a good rectification nature with high barrier height (0.82eV) compared to the Au/n-GaN SJ (0.69eV), which suggests the barrier height is influenced by the CZTS interlayer. The barrier height values assessed by I-V, Cheung's and Norde functions are closely matched with one other, thus the methods used here are reliable and valid. The extracted interface state density (N SS ) of Au/CZTS/n-GaN HJ is lower compared to the Au/n-GaN SJ that suggests the CZTS interlayer plays an important role in the reduction of N SS . Moreover, the capacitance-frequency (C-f) and conductance-frequency (G-f) characteristics of SJ and HJ are measured in the range of 1kHz-1MHz, and found that the capacitance and conductance strappingly dependent on frequency. It is found that the N SS estimated from C-f and G-f characteristics is lower compared to those estimated from I-V characteristics. Analysis confirmed that Poole-Frenkel emission dominates the reverse leakage current in both SJ and HJ, probably related to the structural defects and trap levels in the CZTS interlayer. Copyright © 2017 Elsevier Inc. All rights reserved.

Temperature and voltage dependence of barrier height and ideality factor in Au/0.07 graphene-doped PVA/n-Si structures

NASA Astrophysics Data System (ADS)

Altındal Yerişkin, S.; Balbaşı, M.; Demirezen, S.

2017-04-01

In this study, Au/0.07 graphene-doped PVA/n-Si structures were fabricated and current conduction mechanism in these structures were investigated in the temperature range of 80-380 K through forward bias current-voltage ( I- V) measurements. Main electrical parameters were extracted from I-V data. Zero-bias barrier height (\\overline{Φ}_{B0}) and ideality factor (n) were found strong functions of temperature and their values ranged from 0.234 eV and 4.98 (at 80 K) to 0.882 eV and 1.15 (at 380 K), respectively. Φ ap versus q/2k T plot was drawn to obtain an evidence of a Gaussian distribution of the barrier heights (BHs) and it revealed two distinct linear regions with different slopes and intercepts. The mean values of BH ( Φ Bo) and zero-bias standard deviation (σ s ) were obtained from the intercept and slope of the linear regions of this plot as 1.30 eV and 0.16 V for the first region (280-380 K) and 0.74 eV and 0.085 V for the second region (80-240 K), respectively. Thus, the values of \\overline{Φ}_{B0} and effective Richardson constant ( A*) were also found from the intercept and slope of the modified Richardson plot [ln( I s /T 2) - q 2 σ o 2 /2k 2 T 2 vs q/ kT] as 1.31 eV and 130 A/cm2 K2 for the first region and 0.76 eV and 922 A/cm2 K2 for the second region, respectively. The value of A* for the first region was very close to the theoretical value for n-Si (112 A/cm2 K2). The energy density distribution profile of surface states (Nss) was also extracted from the forward bias I-V data by taking into account voltage dependent effective BH (Φe) and n.

The torsional barriers of two equivalent methyl internal rotations in 2,5-dimethylfuran investigated by microwave spectroscopy

NASA Astrophysics Data System (ADS)

Van, Vinh; Bruckhuisen, Jonas; Stahl, Wolfgang; Ilyushin, Vadim; Nguyen, Ha Vinh Lam

2018-01-01

The microwave spectrum of 2,5-dimethylfuran was recorded using two pulsed molecular jet Fourier transform microwave spectrometers which cover the frequency range from 2 to 40 GHz. The internal rotations of two equivalent methyl tops with a barrier height of approximately 439.15 cm-1 introduce torsional splittings of all rotational transitions in the spectrum. For the spectral analysis, two different computer programs were applied and compared, the PAM-C2v-2tops code based on the principal axis method which treats several torsional states simultaneously, and the XIAM code based on the combined axis method, yielding accurate molecular parameters. The experimental work was supplemented by quantum chemical calculations. Two-dimensional potential energy surfaces depending on the torsional angles of both methyl groups were calculated and parametrized.

Assessing Controls on the Geometry and Dimensions of Modern Barrier Islands

NASA Astrophysics Data System (ADS)

Mulhern, J.; Johnson, C. L.; Martin, J. M.

2015-12-01

Barrier islands are highly ephemeral features, shaped by wave, tide, and storm energy. The processes that govern the size, shape, and motion of barrier islands are not well constrained, yet central to coastal dynamics. While the global distribution of barrier islands has been mapped and assessed, there is little consensus on the forces controlling barrier island formation, motion, or preservation. This study presents a new semi-global database of modern barrier islands to better understand their morphology and spatial distribution. We have mapped, in Google Earth, the subaerial extent of >350 barrier islands and spits, measuring spatial characteristic such as exposed area, perimeter, length, and width. These objects are cross-referenced with parameters that potentially control morphology, including tidal range, wave height, climate, distance from the continental shelf, proximity to fluvial output, and tectonic setting. This approach provides a more optimal framework to assess controls on coastal features, including barrier island morphology, and to investigate potential geometric scaling relationships. Preliminary analysis shows trends in the spatial characteristics of barrier islands. There is a strong linear relationship between the perimeter and length (y= -0.59 + 0.42x, R2=0.95). Linear trends also relate length to area when the data are separated by tidal range to wave height ratio. Assessment of barrier island shape supports the hypothesis of Hayes (1979) that barrier islands in wave-dominated settings are long and linear while those in mixed energy setting are more rounded. The barrier islands of the Texas Gulf of Mexico are larger than the global average for the database, with distinctly longer length values (41.16 km vs. 15.77 km respectively) and larger areas (103.81 km2 vs. 42.14 km2 respectively). Initial assessment shows that tidal range and wave height are primary controls barrier island dimensions. Future work will consider climate, latitude, fluvial input, and tectonic regime as additional factors. Assessing modern barrier islands will lend insight into potential paleomorphodynamic relationships and help determine how islands are transferred into the rock record, with implications for sequence stratigraphy, subsurface reservoirs, etc.

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.

Two-Dimensional Wetting Transition Modeling with the Potts Model

NASA Astrophysics Data System (ADS)

Lopes, Daisiane M.; Mombach, José C. M.

2017-12-01

A droplet of a liquid deposited on a surface structured in pillars may have two states of wetting: (1) Cassie-Baxter (CB), the liquid remains on top of the pillars, also known as heterogeneous wetting, or (2) Wenzel, the liquid fills completely the cavities of the surface, also known as homogeneous wetting. Studies show that between these two states, there is an energy barrier that, when overcome, results in the transition of states. The transition can be achieved by changes in geometry parameters of the surface, by vibrations of the surface or by evaporation of the liquid. In this paper, we present a comparison of two-dimensional simulations of the Cassie-Wenzel transition on pillar-structured surfaces using the cellular Potts model (CPM) with studies performed by Shahraz et al. In our work, we determine a transition diagram by varying the surface parameters such as the interpillar distance ( G) and the pillar height ( H). Our results were compared to those obtained by Shahraz et al. obtaining good agreement.

Influence of surface oxides on hydrogen-sensitive Pd:GaN Schottky diodes

NASA Astrophysics Data System (ADS)

Weidemann, O.; Hermann, M.; Steinhoff, G.; Wingbrant, H.; Lloyd Spetz, A.; Stutzmann, M.; Eickhoff, M.

2003-07-01

The hydrogen response of Pd:GaN Schottky diodes, prepared by in situ and ex situ deposition of catalytic Pd Schottky contacts on Si-doped GaN layers is compared. Ex situ fabricated devices show a sensitivity towards molecular hydrogen, which is about 50 times higher than for in situ deposited diodes. From the analysis of these results, we conclude that adsorption sites for atomic hydrogen in Pd:GaN sensors are provided by an oxidic intermediate layer. In addition, in situ deposited Pd Schottky contacts reveal lower barrier heights and drastically higher reverse currents. We suggest that the passivation of the GaN surface before ex situ deposition of Pd also results in quenching of leakage paths caused by structural defects.

The Effects of Fire on the Function of the 200-BP-1 Engineered Surface Barrier

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

Ward, Anderson L.; Link, Steven O.; Hasan, Nazmul

2009-09-01

A critical unknown in use of barrier technology for long-term waste isolation is performance after a major disturbance especially when institutional controls are intact, but there are no resources to implement corrective actions. The objective of this study was to quantify the effects of wild fire on alterations the function of an engineered barrier. A controlled burn September 26, 2008 was used to remove all the vegetation from the north side of the barrier. Flame heights exceeded 9 m and temperatures ranged from 250 oC at 1.5 cm below the surface to over 700 oC at 1 m above themore » surface. Post-fire analysis of soil properties show significant decreases in wettability, hydraulic conductivity, air entry pressure, organic matter, and porosity relative to pre-fire conditions whereas dry bulk density increased. Decreases in hydraulic conductivity and wettabilty immediately after the fire are implicated in a surface runoff event that occurred in January 2009, the first in 13 years. There was a significant increase in macro-nutrients, pH, and electrical conductivity. After one year, hydrophobicity has returned to pre-burn levels with only 16% of samples still showing signs of decreased wettability. Over the same period, hydraulic conductivity and air entry pressure returned to pre-burn levels at one third of the locations but remained identical to values recorded immediately after the fire at the other two thirds. Soil nutrients, pH, and electrical conductivity remain elevated after 1 year. Species composition on the burned surface changed markedly from prior years and relative to the unburned surface and two analog sites. An increase in the proportion of annuals and biennials is characteristic of burned surfaces that have become dominated by ruderal species. Greenhouse seedling emergence tests conducted to assess the seed bank of pre- and post-burn soils and of two analog sites at the McGee Ranch show no difference in the number of species emerging from soils collected before and after the fire. However, there were fewer species emerging from the seed bank on the side slopes and more species emerging from two analog sites. Leaf area index measures confirmed the substantial differences in plant communities after fire. Xylem pressure potential were considerably higher on the burned half of the barrier in September 2009 suggesting that not all the water in the soil profile will be removed before the fall rains begin. The results of this study are expected to contribute to a better understanding of barrier performance after major disturbances in a post-institutional control environment. Such an understanding is needed to enhance stakeholder acceptance regarding the long-term efficacy of engineered barriers. This study will also support improvements in the design of evapotranspiration (ET) and hybrid (ET + capacitive) barriers and the performance monitoring systems.« less

Liquid spray experiments

NASA Astrophysics Data System (ADS)

Lapham, Gary; McHugh, John

When waves on the ocean surface interact with a solid object, the result is often a complex pattern of spray. The solid object may be a coastal barrier such as a breakwater, or a ship or drilling rig. Another spray-related case is the presence of large industrial tanks of liquid, and often dangerous liquids, that exist around the world. Tens of thousands of such tanks are rapidly becoming obsolete. Recent experience has shown that when such tanks burst, the resulting spray may shoot several hundreds of meters from the tank. These tanks often have a wall or dam (barrier) surrounding them in an attempt to contain any leakage, catastrophic or otherwise. When the tank bursts it is akin to the dam-break problem. A wall of water rushes forth and impinges on the barrier creating spray. Previous experiments (McHugh and Watt, 1998) considered the related configuration of a solitary wave impinging on a vertical wall. The present experiments more closely model the bursting tank case, and treat the effect of the distance between the tank and barrier. Results show that there is a sweet spot where height and horizontal distance of spray droplets are maximized. This ideal distance between tank and barrier is constant when scaled by the initial tank depth.

Adaptive-numerical-bias metadynamics.

PubMed

Khanjari, Neda; Eslami, Hossein; Müller-Plathe, Florian

2017-12-05

A metadynamics scheme is presented in which the free energy surface is filled with progressively adding adaptive biasing potentials, obtained from the accumulated probability distribution of the collective variables. Instead of adding Gaussians with assigned height and width in conventional metadynamics method, here we add a more realistic adaptive biasing potential to the Hamiltonian of the system. The shape of the adaptive biasing potential is adjusted on the fly by sampling over the visited states. As the top of the barrier is approached, the biasing potentials become wider. This decreases the problem of trapping the system in the niches, introduced by the addition of Gaussians of fixed height in metadynamics. Our results for the free energy profiles of three test systems show that this method is more accurate and converges more quickly than the conventional metadynamics, and is quite comparable (in accuracy and convergence rate) with the well-tempered metadynamics method. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Modification of electrical properties of Au/n-type InP Schottky diode with a high-k Ba0.6Sr0.4TiO3 interlayer

NASA Astrophysics Data System (ADS)

Thapaswini, P. Prabhu; Padma, R.; Balaram, N.; Bindu, B.; Rajagopal Reddy, V.

2016-05-01

Au/Ba0.6Sr0.4TiO3 (BST)/n-InP metal/insulator/semiconductor (MIS) Schottky diodes have been analyzed by current-voltage (I-V) and capacitance-voltage (C-V) measurements. The surface morphology of the BST films on InP is fairly smooth. The Au/BST/n-InP MIS Schottky diode shows better rectification ratio and low leakage current compared to the conventional Au/n-InP metal-semiconductor (MS) Schottky diode. Higher barrier height is achieved for the MIS Schottky diode compared to the MS Schottky diode. The Norde and Cheung's methods are employed to determine the barrier height, ideality factor and series resistance. The interface state density (NSS) is determined from the forward bias I-V data for both the MS and MIS Schottky diodes. Results reveal that the NSS of the MIS Schottky diode is lower than that of the MS Schottky diode. The Poole-Frenkel emission is found dominating the reverse current in both Au/n-InP MS and Au/BST/n-InP MIS Schottky diodes, indicating the presence of structural defects and trap levels in the dielectric film.

Full-dimensional quantum mechanics calculations for the spectroscopic characterization of the isomerization transition states of HOCO/DOCO systems.

PubMed

Ma, Dandan; Ren, Haisheng; Ma, Jianyi

2018-02-14

Full-dimensional quantum mechanics calculations were performed to determine the vibrational energy levels of HOCO and DOCO based on an accurate potential energy surface. Almost all of the vibrational energy levels up to 3500 cm -1 from the vibrational ground state were assigned, and the calculated energy levels in this work are well in agreement with the reported results by Bowman. The corresponding full dimensional wavefunctions present some special features. When the energy level approaches the barrier height, the trans-HOCO and cis-HOCO states strongly couple through tunneling interactions, and the tunneling interaction and Fermi resonance were observed in the DOCO system. The energy level patterns of trans-HOCO, cis-HOCO and trans-DOCO provide a reasonable fitted barrier height using the fitting formula of Field et al., however, a discrepancy exists for the cis-DOCO species which is considered as a random event. Our full-dimensional calculations give positive evidence for the accuracy of the spectroscopic characterization model of the isomerization transition state reported by Field et al., which was developed from one-dimensional model systems. Furthermore, the special case of cis-DOCO in this work means that the isotopic substitution can solve the problem of the accidental failure of Field's spectroscopic characterization model.

Shear-transformation-zone theory of linear glassy dynamics.

PubMed

Bouchbinder, Eran; Langer, J S

2011-06-01

We present a linearized shear-transformation-zone (STZ) theory of glassy dynamics in which the internal STZ transition rates are characterized by a broad distribution of activation barriers. For slowly aging or fully aged systems, the main features of the barrier-height distribution are determined by the effective temperature and other near-equilibrium properties of the configurational degrees of freedom. Our theory accounts for the wide range of relaxation rates observed in both metallic glasses and soft glassy materials such as colloidal suspensions. We find that the frequency-dependent loss modulus is not just a superposition of Maxwell modes. Rather, it exhibits an α peak that rises near the viscous relaxation rate and, for nearly jammed, glassy systems, extends to much higher frequencies in accord with experimental observations. We also use this theory to compute strain recovery following a period of large, persistent deformation and then abrupt unloading. We find that strain recovery is determined in part by the initial barrier-height distribution, but that true structural aging also occurs during this process and determines the system's response to subsequent perturbations. In particular, we find by comparison with experimental data that the initial deformation produces a highly disordered state with a large population of low activation barriers, and that this state relaxes quickly toward one in which the distribution is dominated by the high barriers predicted by the near-equilibrium analysis. The nonequilibrium dynamics of the barrier-height distribution is the most important of the issues raised and left unresolved in this paper.

The barrier to ice nucleation in monatomic water

NASA Astrophysics Data System (ADS)

Prestipino, Santi

2018-03-01

Crystallization from a supercooled liquid initially proceeds via the formation of a small solid embryo (nucleus), which requires surmounting an activation barrier. This phenomenon is most easily studied by numerical simulation, using specialized biased-sampling techniques to overcome the limitations imposed by the rarity of nucleation events. Here, I focus on the barrier to homogeneous ice nucleation in supercooled water, as represented by the monatomic-water model, which in the bulk exhibits a complex interplay between different ice structures. I consider various protocols to identify solidlike particles on a computer, which perform well enough for the Lennard-Jones model, and compare their respective impact on the shape and height of the nucleation barrier. It turns out that the effect is stronger on the nucleus size than on the barrier height. As a by-product of the analysis, I determine the structure of the nucleation cluster, finding that the relative amount of ice phases in the cluster heavily depends on the method used for classifying solidlike particles. Moreover, the phase which is most favored during the earlier stages of crystallization may happen, depending on the nucleation coordinate adopted, to be different from the stable polymorph. Therefore, the quality of a reaction coordinate cannot be assessed simply on the basis of the barrier height obtained. I explain how this outcome is possible and why it just points out the shortcoming of collective variables appropriate to simple fluids in providing a robust method of particle classification for monatomic water.

Edge-induced Schottky barrier modulation at metal contacts to exfoliated molybdenum disulfide flakes

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

Nouchi, Ryo, E-mail: r-nouchi@21c.osakafu-u.ac.jp

2016-08-14

Ultrathin two-dimensional semiconductors obtained from layered transition-metal dichalcogenides such as molybdenum disulfide (MoS{sub 2}) are promising for ultimately scaled transistors beyond Si. Although the shortening of the semiconductor channel is widely studied, the narrowing of the channel, which should also be important for scaling down the transistor, has been examined to a lesser degree thus far. In this study, the impact of narrowing on mechanically exfoliated MoS{sub 2} flakes was investigated according to the channel-width-dependent Schottky barrier heights at Cr/Au contacts. Narrower channels were found to possess a higher Schottky barrier height, which is ascribed to the edge-induced band bendingmore » in MoS{sub 2}. The higher barrier heights degrade the transistor performance as a higher electrode-contact resistance. Theoretical analyses based on Poisson's equation showed that the edge-induced effect can be alleviated by a high dopant impurity concentration, but this strategy should be limited to channel widths of roughly 0.7 μm because of the impurity-induced charge-carrier mobility degradation. Therefore, proper termination of the dangling bonds at the edges should be necessary for aggressive scaling with layered semiconductors.« less

Reducing the Schottky barrier between few-layer MoTe2 and gold

NASA Astrophysics Data System (ADS)

Qi, Dianyu; Wang, Qixing; Han, Cheng; Jiang, Jizhou; Zheng, Yujie; Chen, Wei; Zhang, Wenjing; Thye Shen Wee, Andrew

2017-12-01

Schottky barriers greatly influence the performance of optoelectronic devices. Schottky barriers can be reduced by harnessing the polymorphism of 2D metal transition dichalcogenides, since both semiconducting and metallic phases exist. However, high energy, high temperature or chemicals are normally required for phase transformation, or the processes are complex. In this work, stable low-resistance contacts between few layer MoTe2 flakes and gold electrodes are achieved by a simple thermal annealing treatment at low temperature (200-400 °C). The resulting Schottky barrier height of the annealed MoTe2/Au interface is low (~23 meV). A new Raman A g mode of the 1T‧ metallic phase of MoTe2 on gold electrode is observed, indicating that the low-resistance contact is due to the phase transition of 2H-MoTe2. The gold substrate plays an important role in the transformation, and a higher gold surface roughness increases the transformation rate. With this method, the mobility and ON-state current of the MoTe2 transistor increase by ~3-4 orders of magnitude, the photocurrent of vertically stacked graphene/MoTe2/Au device increases ~300%, and the response time decreases by ~20%.

[Practice of engineering management and its effect on schistosomiasis control in Hankou marshland, Wuhan City].

PubMed

Zhi-Qing, Deng; Xiao-Dong, Tan; Shi-Bo, Kong; Kai, Wu; Ming-Xing, Xu; Hua-Tang, Luo

2017-01-06

To investigate the Oncomelania hupensis snail control effect of schistosomiasis control engineering in marshland within Wuhan City. The engineering measures including surface barrier removal, molluscicide, flatting surface, topsoil stripping, topsoil covering and ditch renovation were applied to transform Hankou marshland. Then the corresponding technical parameters of engineering measures were put forward. The situation of snails was analyzed before and after the transform project. The total length and area of the project were 6 015 m and 87.21 hm 2 , respectively, including 17.44 hm 2 of topsoil landfill, 52.08 hm 2 of topsoil covering and 23 new ditches. After the transformation, the average length of the new groove, the groove top width, groove depth, height difference, and the average values of slopes and ditch bottom slope were all increased, while the average values of the width and height of the ditch were decreased. At the same time, the marshland beach surface had a new slope that the embankment was higher than the river and no living O. hupensis snails were found then. The snail breeding environment in Hankou marshland has been effectively changed by the project. However, the constant monitoring and engineering management are still needed to consolidate the effect.

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

Monolayer graphene/SiC Schottky barrier diodes with improved barrier height uniformity as a sensing platform for the detection of heavy metals

PubMed Central

Eriksson, Jens; Khranovskyy, Volodymyr; Iakimov, Tihomir; Lloyd Spetz, Anita; Yakimova, Rositsa

2016-01-01

A vertical diode structure comprising homogeneous monolayer epitaxial graphene on silicon carbide is fabricated by thermal decomposition of a Si-face 4H-SiC wafer in argon atmosphere. Current–voltage characteristics of the graphene/SiC Schottky junction were analyzed by applying the thermionic-emission theory. Extracted values of the Schottky barrier height and the ideality factor are found to be 0.4879 ± 0.013 eV and 1.01803 ± 0.0049, respectively. Deviations of these parameters from average values are smaller than those of previously observed literature data, thereby implying uniformity of the Schottky barrier height over the whole diode area, a stable rectifying behaviour and a good quality of ohmic palladium–graphene contacts. Keeping in mind the strong sensitivity of graphene to analytes we propose the possibility to use the graphene/SiC Schottky diode as a sensing platform for the recognition of toxic heavy metals. Using density functional theory (DFT) calculations we gain insight into the nature of the interaction of cadmium, mercury and lead with graphene as well as estimate the work function and the Schottky barrier height of the graphene/SiC structure before and after applying heavy metals to the sensing material. A shift of the I–V characteristics of the graphene/SiC-based sensor has been proposed as an indicator of presence of the heavy metals. Since the calculations suggested the strongest charge transfer between Pb and graphene, the proposed sensing platform was characterized by good selectivity towards lead atoms and slight interferences from cadmium and mercury. The dependence of the sensitivity parameters on the concentration of Cd, Hg and Pb is studied and discussed. PMID:28144530

Monolayer graphene/SiC Schottky barrier diodes with improved barrier height uniformity as a sensing platform for the detection of heavy metals.

PubMed

Shtepliuk, Ivan; Eriksson, Jens; Khranovskyy, Volodymyr; Iakimov, Tihomir; Lloyd Spetz, Anita; Yakimova, Rositsa

2016-01-01

A vertical diode structure comprising homogeneous monolayer epitaxial graphene on silicon carbide is fabricated by thermal decomposition of a Si-face 4H-SiC wafer in argon atmosphere. Current-voltage characteristics of the graphene/SiC Schottky junction were analyzed by applying the thermionic-emission theory. Extracted values of the Schottky barrier height and the ideality factor are found to be 0.4879 ± 0.013 eV and 1.01803 ± 0.0049, respectively. Deviations of these parameters from average values are smaller than those of previously observed literature data, thereby implying uniformity of the Schottky barrier height over the whole diode area, a stable rectifying behaviour and a good quality of ohmic palladium-graphene contacts. Keeping in mind the strong sensitivity of graphene to analytes we propose the possibility to use the graphene/SiC Schottky diode as a sensing platform for the recognition of toxic heavy metals. Using density functional theory (DFT) calculations we gain insight into the nature of the interaction of cadmium, mercury and lead with graphene as well as estimate the work function and the Schottky barrier height of the graphene/SiC structure before and after applying heavy metals to the sensing material. A shift of the I - V characteristics of the graphene/SiC-based sensor has been proposed as an indicator of presence of the heavy metals. Since the calculations suggested the strongest charge transfer between Pb and graphene, the proposed sensing platform was characterized by good selectivity towards lead atoms and slight interferences from cadmium and mercury. The dependence of the sensitivity parameters on the concentration of Cd, Hg and Pb is studied and discussed.

Analysis of photoconductive mechanisms of organic-on-inorganic photodiodes

NASA Astrophysics Data System (ADS)

Ocaya, R. O.; Dere, A.; Al-Sehemi, Abdullah G.; Al-Ghamdi, Ahmed A.; Soylu, M.; Yakuphanoglu, F.

2017-09-01

In this work, it is shown that choosing an organic-on-inorganic Schottky diode for photoconductive sensing by a using a power law exponent (PLE or γ) determined at a single bias point is a limited approach. The standard literature approach does not highlight any bias voltage effects on the distribution of interface state density and other operationally important parameters. In this paper we suggest a new empirical method that holistically highlights the variation of γ with voltage, irradiance and temperature to reach a more informed choice of photosensor for real applications. We obtain a simple, plausible relation of the variation of barrier height, Φ, with voltage, irradiance and temperature. The method is evaluated with data collected previously for Schottky diodes of structure Al/p-Si/organic-semiconductor (OSC)/Au, where OSC is Coumarin-doped with graphene oxide (GO), Cobalt Phthacyanine (CoPC) doped with GO or PCBM doped with GO, respectively. The method reproduces published data for the three diodes reported at specific bias and provides for the first time some qualitative evidence of barrier height variation with light intensity, for which a possible physical basis is also given. Typically, Schottky barrier height is characterized using dark current leading to an under reporting of the effect of illumination on barrier height. Finally, since recombination mechanisms are gauged on the basis of the magnitude of PLE, the method facilitates the identification of the recombination mechanism at a given bias.

Solitary wave runup and force on a vertical barrier

NASA Astrophysics Data System (ADS)

Liu, Philip L.-F.; Al-Banaa, Khaled

2004-04-01

In this paper we investigate the interaction between a solitary wave and a thin vertical barrier. A set of laboratory experiments was performed with different values of incident wave height to water depth ratio, H/h, and the draught of the barrier to water depth ratio, D/h. While wave gauges were used to measure the reflected and transmitted waves, pressure transducers were installed on both sides of the barrier, enabling the calculation of wave force. The particle image velocimetry (PIV) technique is also employed to measure the velocity field in the vicinity of the barrier. A numerical model, based on the Reynolds-averaged Navier Stokes (RANS) equations and the k - epsilon turbulence closure model, was first checked with experimental data and then employed to obtain additional results for the range of parameters where the laboratory experiments were not performed. Using both experimental data and numerical results, formulae for the maximum runup height, and the maximum wave force are derived in terms of H/h and D/h.

Electronic Properties of Grain Boundaries in GaAs: A Study of Oriented Bicrystals Prepared by Epitaxial Lateral Overgrowth.

DTIC Science & Technology

1984-05-10

overgrowth from a spoke 90 pattern of radial stripe openings at 1 intervals on an Si0 2 coated (110) surface. Bright regions are GaAs and dark regions are Si0...the dark current for such an ideal device is given by Idark - Io[exp(eVbi/AokT) - 1] , (11-l) where Io is a proportionality constant describing the...recombination and leakage currents which contribute to an increased dark current. The value of Voc is determined by the built-in junction barrier height and the

Vertical distributions of aerosols under different weather conditions: Analysis of in-situ aircraft measurements in Beijing, China

NASA Astrophysics Data System (ADS)

Zhang, Qiang; Ma, XinCheng; Tie, Xuexi; Huang, Mengyu; Zhao, Chunsheng

In this study, aerosol vertical distributions of 17 in-situ aircraft measurements during 2005 and 2006 springs are analyzed. The 17 flights are carefully selected to exclude dust events, and the analyses are focused on the vertical distributions of aerosol particles associated with anthropogenic activities. The results show that the vertical distributions of aerosol particles are strongly affected by weather and meteorological conditions, and 3 different types of aerosol vertical distributions corresponding to different weather systems are defined in this study. The measurement with a flat vertical gradient and low surface aerosol concentrations is defined as type-1; a gradual decrease of aerosols with altitudes and modest surface aerosol concentrations is defined as type-2; a sharp vertical gradient (aerosols being strongly depressed in the PBL) with high surface aerosol concentrations is defined as type-3. The weather conditions corresponding to the 3 different aerosol types are high pressure, between two high pressures, and low pressure systems (frontal inversions), respectively. The vertical mixing and horizontal transport for the 3 different vertical distributions are analyzed. Under the type-1 condition, the vertical mixing and horizontal transport were rapid, leading to strong dilution of aerosols in both vertical and horizontal directions. As a result, the aerosol concentrations in PBL (planetary boundary layer) were very low, and the vertical distribution was flat. Under the type-2 condition, the vertical mixing was strong and there was no strong barrier at the PBL height. The horizontal transport (wind flux) was modest. As a result, the aerosol concentrations were gradually reduced with altitude, with modest surface aerosol concentrations. Under the type-3 condition, there was a cold front near the region. As a result, a frontal inversion associated with weak vertical mixing appeared at the top of the inversion layer, forming a very strong barrier to prevent aerosol particles being exchanged from the PBL height to the free troposphere. As a result, the aerosol particles were strongly depressed in the PBL height, producing high surface aerosol concentrations. The measured vertical aerosol distributions have important implications for studying the effects of aerosols on photochemistry. The J[O 3] values are reduced by 11%, 48%, and 50%, under the type-1, type-2, and type-3 conditions, respectively. This result reveals that atmospheric oxidant capacity (OH concentrations) is modestly reduced under the type-1 condition, but is significantly reduced under the type-2 and type-3 conditions. This result also suggests that the effect of aerosol particles on surface solar flux is an integrated column effect, and detailed vertical distributions of aerosol particles are very important for assessing the impacts of aerosol on photochemistry.

THE STUDY OF HIGH DIELECTRIC CONSTANT MECHANISM OF La-DOPED Ba0.67Sr0.33TiO3 CERAMICS

NASA Astrophysics Data System (ADS)

Xu, Jing; He, Bo; Liu, Han Xing

It is a common and effective method to enhance the dielectric properties of BST ceramics by adding rare-earth elements. In this paper, it is important to analyze the cause of the high dielectric constant behavior of La-doped BST ceramics. The results show that proper rare earth La dopant (0.2≤x≤0.7) may greatly increase the dielectric constant of BST ceramics, and also improve the temperature stability, evidently. According to the current-voltage (J-V) characteristics, the proper La-doped BST ceramics may reach the better semiconductivity, with the decrease and increase in La doping, the ceramics are insulators. By using the Schottky barrier model and electric microstructure model to find the surface or grain boundary potential barrier height, the width of the depletion layer and grain size do play an important role in impacting the dielectric constant.

CURRENT-VOLTAGE CHARACTERISTICS OF THERMALLY ANNEALED Ni/n-GaAs SCHOTTKY CONTACTS

NASA Astrophysics Data System (ADS)

Yildirim, Nezir; Turut, Abdulmecit; Dogan, Hulya

The Schottky barrier type Ni/n-GaAs contacts fabricated by us were thermally annealed at 600∘C and 700∘C for 1min. The apparent barrier height Φap and ideality factor of the diodes were calculated from the forward bias current-voltage characteristic in 60-320K range. The Φap values for the nonannealed and 600∘C and 700∘C annealed diodes were obtained as 0.80, 0.81 and 0.67eV at 300K, respectively. Thus, it has been concluded that the reduced barrier due to the thermal annealing at 700∘C promises some device applications. The current preferentially flows through the lowest barrier height (BH) with the temperature due to the BH inhomogeneities. Therefore, it was seen that the Φap versus (2kT)‑1 plots for the nonannealed and annealed diodes showed the linear behavior according to Gaussian distributions.

Barrier inhomogeneities at vertically stacked graphene-based heterostructures.

PubMed

Lin, Yen-Fu; Li, Wenwu; Li, Song-Lin; Xu, Yong; Aparecido-Ferreira, Alex; Komatsu, Katsuyoshi; Sun, Huabin; Nakaharai, Shu; Tsukagoshi, Kazuhito

2014-01-21

The integration of graphene and other atomically flat, two-dimensional materials has attracted much interest and been materialized very recently. An in-depth understanding of transport mechanisms in such heterostructures is essential. In this study, vertically stacked graphene-based heterostructure transistors were manufactured to elucidate the mechanism of electron injection at the interface. The temperature dependence of the electrical characteristics was investigated from 300 to 90 K. In a careful analysis of current-voltage characteristics, an unusual decrease in the effective Schottky barrier height and increase in the ideality factor were observed with decreasing temperature. A model of thermionic emission with a Gaussian distribution of barriers was able to precisely interpret the conduction mechanism. Furthermore, mapping of the effective Schottky barrier height is unmasked as a function of temperature and gate voltage. The results offer significant insight for the development of future layer-integration technology based on graphene-based heterostructures.

Enhanced Thermionic Emission and Low 1/f Noise in Exfoliated Graphene/GaN Schottky Barrier Diode.

PubMed

Kumar, Ashutosh; Kashid, Ranjit; Ghosh, Arindam; Kumar, Vikram; Singh, Rajendra

2016-03-01

Temperature-dependent electrical transport characteristics of exfoliated graphene/GaN Schottky diodes are investigated and compared with conventional Ni/GaN Schottky diodes. The ideality factor of graphene/GaN and Ni/GaN diodes are measured to be 1.33 and 1.51, respectively, which is suggestive of comparatively higher thermionic emission current in graphene/GaN diode. The barrier height values for graphene/GaN diode obtained using thermionic emission model and Richardson plots are found to be 0.60 and 0.72 eV, respectively, which are higher than predicted barrier height ∼0.40 eV as per the Schottky-Mott model. The higher barrier height is attributed to hole doping of graphene due to graphene-Au interaction which shifts the Fermi level in graphene by ∼0.3 eV. The magnitude of flicker noise of graphene/GaN Schottky diode increases up to 175 K followed by its decrease at higher temperatures. This indicates that diffusion currents and barrier inhomogeneities dominate the electronic transport at lower and higher temperatures, respectively. The exfoliated graphene/GaN diode is found to have lower level of barrier inhomogeneities than conventional Ni/GaN diode, as well as earlier reported graphene/GaN diode fabricated using chemical vapor deposited graphene. The lesser barrier inhomogeneities in graphene/GaN diode results in lower flicker noise by 2 orders of magnitude as compared to Ni/GaN diode. Enhanced thermionic emission current, lower level of inhomogeneities, and reduced flicker noise suggests that graphene-GaN Schottky diodes may have the underlying trend for replacing metal-GaN Schottky diodes.

Estimation of the barrier layer thickness in the Indian Ocean using Aquarius Salinity

NASA Astrophysics Data System (ADS)

Felton, Clifford S.; Subrahmanyam, Bulusu; Murty, V. S. N.; Shriver, Jay F.

2014-07-01

Monthly barrier layer thickness (BLT) estimates are derived from satellite measurements using a multilinear regression model (MRM) within the Indian Ocean. Sea surface salinity (SSS) from the recently launched Soil Moisture and Ocean Salinity (SMOS) and Aquarius SAC-D salinity missions are utilized to estimate the BLT. The MRM relates BLT to sea surface salinity (SSS), sea surface temperature (SST), and sea surface height anomalies (SSHA). Three regions where the BLT variability is most rigorous are selected to evaluate the performance of the MRM for 2012; the Southeast Arabian Sea (SEAS), Bay of Bengal (BoB), and Eastern Equatorial Indian Ocean (EEIO). The MRM derived BLT estimates are compared to gridded Argo and Hybrid Coordinate Ocean Model (HYCOM) BLTs. It is shown that different mechanisms are important for sustaining the BLT variability in each of the selected regions. Sensitivity tests show that SSS is the primary driver of the BLT within the MRM. Results suggest that salinity measurements obtained from Aquarius and SMOS can be useful for tracking and predicting the BLT in the Indian Ocean. Largest MRM errors occur along coastlines and near islands where land contamination skews the satellite SSS retrievals. The BLT evolution during 2012, as well as the advantages and disadvantages of the current model are discussed. BLT estimations using HYCOM simulations display large errors that are related to model layer structure and the selected BLT methodology.

Nonradiative Decay Dynamics of METHYL-4-HYDROXYCINNAMATE and its Monohydrated Complex Revealed by Picosecond Pump-Probe Spectroscopy

NASA Astrophysics Data System (ADS)

Ebata, T.; Shimada, D.; Kusaka, R.; Inokuchi, Y.; Ehara, M.

2012-06-01

The lifetimes of methyl 4-hydroxycinnamate (OMpCA) and its mono-hydrated complex (OMpCA-H_2O) in the S_1 state have been measured by picosecond pump-probe spectroscopy in a supersonic beam. For OMpCA, the lifetime of the S_1 - S_0 origin is 8 - 9 ps. On the other hand, the lifetime of OMpCA-H_2O complex at the origin is 930 ps, which is 100 times longer than that. Furthermore, in the complex the S_1 lifetime shows rapid decrease at an energy of 200 cm-1 above the origin and becomes as short as 9 ps at 500 cm-1. Theoretical calculations with symmetry-adapted cluster-configuration interaction (SAC-CI) method suggest that in OMpCA, the trans - cis isomerization occurs smoothly without a barrier on the S_1surface, while in OMpCA-H_2O complex, there exists a barrier along the isomerization coordinate. The calculated barrier height of OMpCA-H_2O is in good agreement with that estimated from the lifetime measurements.

Theoretical investigation of silicide Schottky barrier detector integrated in horizontal metal-insulator-silicon-insulator-metal nanoplasmonic slot waveguide.

PubMed

Zhu, Shiyang; Lo, G Q; Kwong, D L

2011-08-15

An ultracompact integrated silicide Schottky barrier detector (SBD) is designed and theoretically investigated to electrically detect the surface plasmon polariton (SPP) propagating along horizontal metal-insulator-silicon-insulator-metal nanoplasmonic slot waveguides at the telecommunication wavelength of 1550 nm. An ultrathin silicide layer inserted between the silicon core and the insulator, which can be fabricated precisely using the well-developed self-aligned silicide process, absorbs the SPP power effectively if a suitable silicide is chosen. Moreover, the Schottky barrier height in the silicide-silicon-silicide configuration can be tuned substantially by the external voltage through the Schottky effect owing to the very narrow silicon core. For a TaSi(2) detector with optimized dimensions, numerical simulation predicts responsivity of ~0.07 A/W, speed of ~60 GHz, dark current of ~66 nA at room temperature, and minimum detectable power of ~-29 dBm. The design also suggests that the device's size can be reduced and the overall performances will be further improved if a silicide with smaller permittivity is used. © 2011 Optical Society of America

Associative desorption of hydrogen isotopologues from copper surfaces: Characterization of two reaction mechanisms

NASA Astrophysics Data System (ADS)

Kaufmann, Sven; Shuai, Quan; Auerbach, Daniel J.; Schwarzer, Dirk; Wodtke, Alec M.

2018-05-01

We report quantum-state resolved measurements of angular and velocity distributions of the associative desorption of H2, HD, and D2 from Cu(111) and Cu(211) surfaces. The desorbing molecules have bimodal velocity distributions comprising a "fast" channel and a "slow" channel on both facets. The "fast channel" is promoted by both hydrogen incidence translational and vibrational energy, while the "slow channel" is promoted by vibrational energy but inhibited by translational energy. Using detailed balance, we determine state-specific reaction probabilities for dissociative adsorption and compare these to theoretical calculations. The results for the activation barrier for the "fast channel" on Cu(111) are in agreement with theory within "chemical accuracy" (1 kcal/mole). Results on the Cu(211) facet provide direct information on the effect of increasing step density, which is commonly believed to increase reactivity. Differences in reactivity on the (111) and (211) facets are subtle - quantum state specific reactivity on the (211) surface is characterized by a broader distribution of barrier heights whose average values are higher than for reaction on (111). We fully characterize the "slow channel," which has not been found in theoretical calculations although it makes up a large fraction of the reactivity in these experiments.

Investigation of low leakage current radiation detectors on n-type 4H-SiC epitaxial layers

NASA Astrophysics Data System (ADS)

Nguyen, Khai V.; Chaudhuri, Sandeep K.; Mandal, Krishna C.

2014-09-01

The surface leakage current of high-resolution 4H-SiC epitaxial layer Schottky barrier detectors has been improved significantly after surface passivations of 4H-SiC epitaxial layers. Thin (nanometer range) layers of silicon dioxide (SiO2) and silicon nitride (Si3N4) were deposited on 4H-SiC epitaxial layers using plasma enhanced chemical vapor deposition (PECVD) on 20 μm thick n-type 4H-SiC epitaxial layers followed by the fabrication of large area (~12 mm2) Schottky barrier radiation detectors. The fabricated detectors have been characterized through current-voltage (I-V), capacitance-voltage (C-V), and alpha pulse height spectroscopy measurements; the results were compared with that of detectors fabricated without surface passivations. Improved energy resolution of ~ 0.4% for 5486 keV alpha particles was observed after passivation, and it was found that the performance of these detectors were limited by the presence of macroscopic and microscopic crystal defects affecting the charge transport properties adversely. Capacitance mode deep level transient studies (DLTS) revealed the presence of a titanium impurity related shallow level defects (Ec-0.19 eV), and two deep level defects identified as Z1/2 and Ci1 located at Ec-0.62 and ~ Ec-1.40 eV respectively.

Long-term stability of Cu surface nanotips

NASA Astrophysics Data System (ADS)

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

2016-07-01

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

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.

Liquid junction schottky barrier solar cell

DOEpatents

Williams, Richard

1980-01-01

A mixture of ceric ions (Ce.sup.+4) and cerous ions (Ce.sup.+3) in an aqueous electrolyte solution forms a Schottky barrier at the interface between an active region of silicon and the electrolyte solution. The barrier height obtained for hydrogenated amorphous silicon using the Ce.sup.+4 /Ce.sup.+3 redox couple is about 1.7 eV.

Implantation and growth of dendritic gold nanostructures on graphene derivatives: electrical property tailoring and Raman enhancement.

PubMed

Jasuja, Kabeer; Berry, Vikas

2009-08-25

Interfacing electron-rich metal nanoparticles with graphene derivatives can sensitively regulate the properties of the resultant hybrid with potential applications in metal-doped graphene field-effect transistors (FETs), surface-enhanced Raman spectroscopy, and catalysis. Here, we show that by controlling the rate of diffusion and catalytic reduction of gold ions on graphene oxide (GO), dendritic "snowflake-shaped" gold nanostructures (SFGNs) can be templated on graphene. The structural features of the SFGNs and their interfacing mechanism with GO were characterized by microscopic analysis and Raman-scattering. We demonstrate that (a) SFGNs grow on GO-surface via diffusion limited aggregation; (b) SFGN's morphology (dendritic to globular), size (diameter of 150-500 nm and a height of 45-55 nm), coverage density, and dispersion stability can be controlled by regulating the chemiophysical forces; (c) SFGNs enhance the Raman signal by 2.5 folds; and (d) SFGNs act as antireduction resist during GO-SFGN's chemical reduction. Further, the SFGNs interfacing with graphene reduces the apparent band gap (from 320 to 173 meV) and the Schottky barrier height (from 126 to 56 meV) of the corresponding FET.

Clustering on Magnesium Surfaces – Formation and Diffusion Energies

DOE PAGES

Chu, Haijian; Huang, Hanchen; Wang, Jian

2017-07-12

The formation and diffusion energies of atomic clusters on Mg surfaces determine the surface roughness and formation of faulted structure, which in turn affect the mechanical deformation of Mg. This paper reports first principles density function theory (DFT) based quantum mechanics calculation results of atomic clustering on the low energy surfaces {0001} and {more » $$\\bar{1}$$011} . In parallel, molecular statics calculations serve to test the validity of two interatomic potentials and to extend the scope of the DFT studies. On a {0001} surface, a compact cluster consisting of few than three atoms energetically prefers a face-centered-cubic stacking, to serve as a nucleus of stacking fault. On a {$$\\bar{1}$$011} , clusters of any size always prefer hexagonal-close-packed stacking. Adatom diffusion on surface {$$\\bar{1}$$011} is high anisotropic while isotropic on surface (0001). Three-dimensional Ehrlich–Schwoebel barriers converge as the step height is three atomic layers or thicker. FInally, adatom diffusion along steps is via hopping mechanism, and that down steps is via exchange mechanism.« less

Clustering on Magnesium Surfaces – Formation and Diffusion Energies

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

Chu, Haijian; Huang, Hanchen; Wang, Jian

The formation and diffusion energies of atomic clusters on Mg surfaces determine the surface roughness and formation of faulted structure, which in turn affect the mechanical deformation of Mg. This paper reports first principles density function theory (DFT) based quantum mechanics calculation results of atomic clustering on the low energy surfaces {0001} and {more » $$\\bar{1}$$011} . In parallel, molecular statics calculations serve to test the validity of two interatomic potentials and to extend the scope of the DFT studies. On a {0001} surface, a compact cluster consisting of few than three atoms energetically prefers a face-centered-cubic stacking, to serve as a nucleus of stacking fault. On a {$$\\bar{1}$$011} , clusters of any size always prefer hexagonal-close-packed stacking. Adatom diffusion on surface {$$\\bar{1}$$011} is high anisotropic while isotropic on surface (0001). Three-dimensional Ehrlich–Schwoebel barriers converge as the step height is three atomic layers or thicker. FInally, adatom diffusion along steps is via hopping mechanism, and that down steps is via exchange mechanism.« less

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.

Damage-Free Smooth-Sidewall InGaAs Nanopillar Array by Metal-Assisted Chemical Etching.

PubMed

Kong, Lingyu; Song, Yi; Kim, Jeong Dong; Yu, Lan; Wasserman, Daniel; Chim, Wai Kin; Chiam, Sing Yang; Li, Xiuling

2017-10-24

Producing densely packed high aspect ratio In 0.53 Ga 0.47 As nanostructures without surface damage is critical for beyond Si-CMOS nanoelectronic and optoelectronic devices. However, conventional dry etching methods are known to produce irreversible damage to III-V compound semiconductors because of the inherent high-energy ion-driven process. In this work, we demonstrate the realization of ordered, uniform, array-based In 0.53 Ga 0.47 As pillars with diameters as small as 200 nm using the damage-free metal-assisted chemical etching (MacEtch) technology combined with the post-MacEtch digital etching smoothing. The etching mechanism of In x Ga 1-x As is explored through the characterization of pillar morphology and porosity as a function of etching condition and indium composition. The etching behavior of In 0.53 Ga 0.47 As, in contrast to higher bandgap semiconductors (e.g., Si or GaAs), can be interpreted by a Schottky barrier height model that dictates the etching mechanism constantly in the mass transport limited regime because of the low barrier height. A broader impact of this work relates to the complete elimination of surface roughness or porosity related defects, which can be prevalent byproducts of MacEtch, by post-MacEtch digital etching. Side-by-side comparison of the midgap interface state density and flat-band capacitance hysteresis of both the unprocessed planar and MacEtched pillar In 0.53 Ga 0.47 As metal-oxide-semiconductor capacitors further confirms that the surface of the resultant pillars is as smooth and defect-free as before etching. MacEtch combined with digital etching offers a simple, room-temperature, and low-cost method for the formation of high-quality In 0.53 Ga 0.47 As nanostructures that will potentially enable large-volume production of In 0.53 Ga 0.47 As-based devices including three-dimensional transistors and high-efficiency infrared photodetectors.

Printing polymer optical waveguides on conditioned transparent flexible foils by using the aerosol jet technology

NASA Astrophysics Data System (ADS)

Reitberger, Thomas; Hoffmann, Gerd-Albert; Wolfer, Tim; Overmeyer, Ludger; Franke, Joerg

2016-09-01

The optical data transfer is considered as the future of signal transfer due to its various advantages compared to conventional copper-based technologies. The Aerosol Jet Printing (AJP) technology offers the opportunity to print materials with high viscosities, such as liquid transparent polymer adhesives (epoxy resins), on almost any possible substrate material and even in third dimension. This paper introduces a new flexible and comparatively cost-effective way of generating polymer optical waveguides through AJP. Furthermore, the conditioning of the substrate material and the printing process of planar waveguides are presented. In the first step, two lines with hydrophobic behavior are applied on foil material (PMMA, PVC, PI) by using a flexographic printing machine. These silicone based patterns containing functional polymer form barriers for the core material due to their low surface energy after curing. In the second step, the core material (liquid polymer, varnish) is printed between the barrier lines. Because of the hydrophobic behavior of the lines, the contact angle between the substrate surface and the liquid core material is increased which yields to higher aspect ratio. The distance between the barrier lines is at least 100 μm, which defines the width of the waveguide. The minimum height of the core shall be 50 μm. After UV-curing of the core polymer, the cladding material is printed on the top. This is also applied by using the AJP technology. Various tests were performed to achieve the optimal surface properties for adequate adhesion and machine process parameters.

Accuracy of AHOF400 with a moment-measuring load cell barrier.

DOT National Transportation Integrated Search

2011-06-13

Several performance measures derived from rigid : barrier crash testing have been proposed to assess : vehicle-to-vehicle crash compatibility. One such : measure, the Average Height of Force 400 (AHOF400) : [1], has been proposed to estimate the heig...

Effect of interfacial composition on Ag-based Ohmic contact of GaN-based vertical light emitting diodes

NASA Astrophysics Data System (ADS)

Wu, Ning; Xiong, Zhihua; Qin, Zhenzhen

2018-02-01

By investigating the effect of a defective interface structure on Ag-based Ohmic contact of GaN-based vertical light-emitting diodes, we found a direct relationship between the interfacial composition and the Schottky barrier height of the Ag(111)/GaN(0001) interface. It was demonstrated that the Schottky barrier height of a defect-free Ag(111)/GaN(0001) interface was 2.221 eV, and it would be dramatically decreased to 0.375 eV with the introduction of one Ni atom and one Ga vacancy at the interface structure. It was found that the tunability of the Schottky barrier height can be attributed to charge accumulations around the interfacial defective regions and an unpinning of the Fermi level, which explains the experimental phenomenon of Ni-assisted annealing improving the p-type Ohmic contact characteristic. Lastly, we propose a new method of using Cu as an assisted metal to realize a novel Ag-based Ohmic contact. These results provide a guideline for the fabrication of high-quality Ag-based Ohmic contact of GaN-based vertical light-emitting diodes.

Schottky Barrier Height Tuning via the Dopant Segregation Technique through Low-Temperature Microwave Annealing.

PubMed

Fu, Chaochao; Zhou, Xiangbiao; Wang, Yan; Xu, Peng; Xu, Ming; Wu, Dongping; Luo, Jun; Zhao, Chao; Zhang, Shi-Li

2016-04-27

The Schottky junction source/drain structure has great potential to replace the traditional p/n junction source/drain structure of the future ultra-scaled metal-oxide-semiconductor field effect transistors (MOSFETs), as it can form ultimately shallow junctions. However, the effective Schottky barrier height (SBH) of the Schottky junction needs to be tuned to be lower than 100 meV in order to obtain a high driving current. In this paper, microwave annealing is employed to modify the effective SBH of NiSi on Si via boron or arsenic dopant segregation. The barrier height decreased from 0.4-0.7 eV to 0.2-0.1 eV for both conduction polarities by annealing below 400 °C. Compared with the required temperature in traditional rapid thermal annealing, the temperature demanded in microwave annealing is ~60 °C lower, and the mechanisms of this observation are briefly discussed. Microwave annealing is hence of high interest to future semiconductor processing owing to its unique capability of forming the metal/semiconductor contact at a remarkably lower temperature.

Schottky Barrier Height Tuning via the Dopant Segregation Technique through Low-Temperature Microwave Annealing

PubMed Central

Fu, Chaochao; Zhou, Xiangbiao; Wang, Yan; Xu, Peng; Xu, Ming; Wu, Dongping; Luo, Jun; Zhao, Chao; Zhang, Shi-Li

2016-01-01

The Schottky junction source/drain structure has great potential to replace the traditional p/n junction source/drain structure of the future ultra-scaled metal-oxide-semiconductor field effect transistors (MOSFETs), as it can form ultimately shallow junctions. However, the effective Schottky barrier height (SBH) of the Schottky junction needs to be tuned to be lower than 100 meV in order to obtain a high driving current. In this paper, microwave annealing is employed to modify the effective SBH of NiSi on Si via boron or arsenic dopant segregation. The barrier height decreased from 0.4–0.7 eV to 0.2–0.1 eV for both conduction polarities by annealing below 400 °C. Compared with the required temperature in traditional rapid thermal annealing, the temperature demanded in microwave annealing is ~60 °C lower, and the mechanisms of this observation are briefly discussed. Microwave annealing is hence of high interest to future semiconductor processing owing to its unique capability of forming the metal/semiconductor contact at a remarkably lower temperature. PMID:28773440

Electron and hole photoemission detection for band offset determination of tunnel field-effect transistor heterojunctions

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

Li, Wei; Key Laboratory for the Physics and Chemistry of Nanodevices and Department of Electronics, Peking University, Beijing 100871; Zhang, Qin

2014-11-24

We report experimental methods to ascertain a complete energy band alignment of a broken-gap tunnel field-effect transistor based on an InAs/GaSb hetero-junction. By using graphene as an optically transparent electrode, both the electron and hole barrier heights at the InAs/GaSb interface can be quantified. For a Al{sub 2}O{sub 3}/InAs/GaSb layer structure, the barrier height from the top of the InAs and GaSb valence bands to the bottom of the Al{sub 2}O{sub 3} conduction band is inferred from electron emission whereas hole emissions reveal the barrier height from the top of the Al{sub 2}O{sub 3} valence band to the bottom ofmore » the InAs and GaSb conduction bands. Subsequently, the offset parameter at the broken gap InAs/GaSb interface is extracted and thus can be used to facilitate the development of predicted models of electron quantum tunneling efficiency and transistor performance.« less

Negative tunnel magnetoresistance and spin transport in ferromagnetic graphene junctions.

PubMed

Zou, Jianfei; Jin, Guojun; Ma, Yu-Qiang

2009-03-25

We study the tunnel magnetoresistance (TMR) and spin transport in ferromagnetic graphene junctions composed of ferromagnetic graphene (FG) and normal graphene (NG) layers. It is found that the TMR in the FG/NG/FG junction oscillates from positive to negative values with respect to the chemical potential adjusted by the gate voltage in the barrier region when the Fermi level is low enough. Particularly, the conventionally defined TMR in the FG/FG/FG junction oscillates periodically from a positive to negative value with increasing the barrier height at any Fermi level. The spin polarization of the current through the FG/FG/FG junction also has an oscillating behavior with increasing barrier height, whose oscillating amplitude can be modulated by the exchange splitting in the ferromagnetic graphene.

Combined valence bond-molecular mechanics potential-energy surface and direct dynamics study of rate constants and kinetic isotope effects for the H + C2H6 reaction.

PubMed

Chakraborty, Arindam; Zhao, Yan; Lin, Hai; Truhlar, Donald G

2006-01-28

This article presents a multifaceted study of the reaction H+C(2)H(6)-->H(2)+C(2)H(5) and three of its deuterium-substituted isotopologs. First we present high-level electronic structure calculations by the W1, G3SX, MCG3-MPWB, CBS-APNO, and MC-QCISD/3 methods that lead to a best estimate of the barrier height of 11.8+/-0.5 kcal/mol. Then we obtain a specific reaction parameter for the MPW density functional in order that it reproduces the best estimate of the barrier height; this yields the MPW54 functional. The MPW54 functional, as well as the MPW60 functional that was previously parametrized for the H+CH(4) reaction, is used with canonical variational theory with small-curvature tunneling to calculate the rate constants for all four ethane reactions from 200 to 2000 K. The final MPW54 calculations are based on curvilinear-coordinate generalized-normal-mode analysis along the reaction path, and they include scaled frequencies and an anharmonic C-C bond torsion. They agree with experiment within 31% for 467-826 K except for a 38% deviation at 748 K; the results for the isotopologs are predictions since these rate constants have never been measured. The kinetic isotope effects (KIEs) are analyzed to reveal the contributions from subsets of vibrational partition functions and from tunneling, which conspire to yield a nonmonotonic temperature dependence for one of the KIEs. The stationary points and reaction-path potential of the MPW54 potential-energy surface are then used to parametrize a new kind of analytical potential-energy surface that combines a semiempirical valence bond formalism for the reactive part of the molecule with a standard molecular mechanics force field for the rest; this may be considered to be either an extension of molecular mechanics to treat a reactive potential-energy surface or a new kind of combined quantum-mechanical/molecular mechanical (QM/MM) method in which the QM part is semiempirical valence bond theory; that is, the new potential-energy surface is a combined valence bond molecular mechanics (CVBMM) surface. Rate constants calculated with the CVBMM surface agree with the MPW54 rate constants within 12% for 534-2000 K and within 23% for 200-491 K. The full CVBMM potential-energy surface is now available for use in variety of dynamics calculations, and it provides a prototype for developing CVBMM potential-energy surfaces for other reactions.

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

High translational energy release in H2 (D2) associative desorption from H (D) chemisorbed on C(0001).

PubMed

Baouche, S; Gamborg, G; Petrunin, V V; Luntz, A C; Baurichter, A; Hornekaer, L

2006-08-28

Highly energetic translational energy distributions are reported for hydrogen and deuterium molecules desorbing associatively from the atomic chemisorption states on highly oriented pyrolytic graphite (HOPG). Laser assisted associative desorption is used to measure the time of flight of molecules desorbing from a hydrogen (deuterium) saturated HOPG surface produced by atomic exposure from a thermal atom source at around 2100 K. The translational energy distributions normal to the surface are very broad, from approximately 0.5 to approximately 3 eV, with a peak at approximately 1.3 eV. The highest translational energy measured is close to the theoretically predicted barrier height. The angular distribution of the desorbing molecules is sharply peaked along the surface normal and is consistent with thermal broadening contributing to energy release parallel to the surface. All results are in qualitative agreement with recent density functional theory calculations suggesting a lowest energy para-type dimer recombination path.

Boltzmann-distribution-equivalent for Lévy noise and how it leads to thermodynamically consistent epicatalysis

NASA Astrophysics Data System (ADS)

Bier, Martin

2018-02-01

Nonequilibrium systems commonly exhibit Lévy noise. This means that the distribution for the size of the Brownian fluctuations has a "fat" power-law tail. Large Brownian kicks are then more common as compared to the ordinary Gaussian distribution. We consider a two-state system, i.e., two wells and a barrier in between. The barrier is sufficiently high for a barrier crossing to be a rare event. When the noise is Lévy, we do not get a Boltzmann distribution between the two wells. Instead we get a situation where the distribution between the two wells also depends on the height of the barrier that is in between. Ordinarily, a catalyst, by lowering the barrier between two states, speeds up the relaxation to an equilibrium, but does not change the equilibrium distribution. In an environment with Lévy noise, on the other hand, we have the possibility of epicatalysis, i.e., a catalyst effectively altering the distribution between two states through the changing of the barrier height. After deriving formulas to quantitatively describe this effect, we discuss how this idea may apply in nuclear reactors and in the biochemistry of a living cell.

Formation of the prebiotic molecule NH2CHO on astronomical amorphous solid water surfaces: accurate tunneling rate calculations.

PubMed

Song, Lei; Kästner, Johannes

2016-10-26

Investigating how formamide forms in the interstellar medium is a hot topic in astrochemistry, which can contribute to our understanding of the origin of life on Earth. We have constructed a QM/MM model to simulate the hydrogenation of isocyanic acid on amorphous solid water surfaces to form formamide. The binding energy of HNCO on the ASW surface varies significantly between different binding sites, we found values between ∼0 and 100 kJ mol -1 . The barrier for the hydrogenation reaction is almost independent of the binding energy, though. We calculated tunneling rate constants of H + HNCO → NH 2 CO at temperatures down to 103 K combining QM/MM with instanton theory. Tunneling dominates the reaction at such low temperatures. The tunneling reaction is hardly accelerated by the amorphous solid water surface compared to the gas phase for this system, even though the activation energy of the surface reaction is lower than the one of the gas-phase reaction. Both the height and width of the barrier affect the tunneling rate in practice. Strong kinetic isotope effects were observed by comparing to rate constants of D + HNCO → NHDCO. At 103 K we found a KIE of 231 on the surface and 146 in the gas phase. Furthermore, we investigated the gas-phase reaction NH 2 + H 2 CO → NH 2 CHO + H and found it unlikely to occur at cryogenic temperatures. The data of our tunneling rate constants are expected to significantly influence astrochemical models.

A Study on the Relationships among Surface Variables to Adjust the Height of Surface Temperature for Data Assimilation.

NASA Astrophysics Data System (ADS)

Kang, J. H.; Song, H. J.; Han, H. J.; Ha, J. H.

2016-12-01

The observation processing system, KPOP (KIAPS - Korea Institute of Atmospheric Prediction Systems - Package for Observation Processing) have developed to provide optimal observations to the data assimilation system for the KIAPS Integrated Model (KIM). Currently, the KPOP has capable of processing almost all of observations for the KMA (Korea Meteorological Administration) operational global data assimilation system. The height adjustment of SURFACE observations are essential for the quality control due to the difference in height between observation station and model topography. For the SURFACE observation, it is usual to adjust the height using lapse rate or hypsometric equation, which decides values mainly depending on the difference of height. We have a question of whether the height can be properly adjusted following to the linear or exponential relationship solely with regard to the difference of height, with disregard the atmospheric conditions. In this study, firstly we analyse the change of surface variables such as temperature (T2m), pressure (Psfc), humidity (RH2m and Q2m), and wind components (U and V) according to the height difference. Additionally, we look further into the relationships among surface variables . The difference of pressure shows a strong linear relationship with difference of height. But the difference of temperature according to the height shows a significant correlation with difference of relative humidity than with the height difference. A development of reliable model for the height-adjustment of surface temperature is being undertaken based on the preliminary results.

Electrostatic analysis of n-doped SrTiO{sub 3} metal-insulator-semiconductor systems

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

Kamerbeek, A. M., E-mail: a.m.kamerbeek@rug.nl; Banerjee, T.; Hueting, R. J. E.

2015-12-14

Electron doped SrTiO{sub 3}, a complex-oxide semiconductor, possesses novel electronic properties due to its strong temperature and electric-field dependent permittivity. Due to the high permittivity, metal/n-SrTiO{sub 3} systems show reasonably strong rectification even when SrTiO{sub 3} is degenerately doped. Our experiments show that the insertion of a sub nanometer layer of AlO{sub x} in between the metal and n-SrTiO{sub 3} interface leads to a dramatic reduction of the Schottky barrier height (from around 0.90 V to 0.25 V). This reduces the interface resistivity by 4 orders of magnitude. The derived electrostatic analysis of the metal-insulator-semiconductor (n-SrTiO{sub 3}) system is consistent with thismore » trend. When compared with a Si based MIS system, the change is much larger and mainly governed by the high permittivity of SrTiO{sub 3}. The non-linear permittivity of n-SrTiO{sub 3} leads to unconventional properties such as a temperature dependent surface potential non-existent for semiconductors with linear permittivity such as Si. This allows tuning of the interfacial band alignment, and consequently the Schottky barrier height, in a much more drastic way than in conventional semiconductors.« less

Hydrogen-abstraction reactions of fully hydrogenated fullerene cages with the amino radical: a density functional study

NASA Astrophysics Data System (ADS)

Anafcheh, Maryam

2018-01-01

We have applied density functional theory calculations to study the reactions of NH2 + CnHn (n = 20, 40, 50, 60, 70 and 80). Due to the hard curvature in C20 cage, the NH2• + C20H20 → NH3 + C20H19• reaction is nearly thermoneutral with a high potential barrier height. For the CnHn fulleranes with n > 20 the transition states appear earlier on the reaction paths, as can be anticipated for exothermic reactions. Using the spherical excess parameter, we distinguished different curvatures on the surfaces of fullerane cages. The reaction enthalpies ΔH°298 and potential barrier heights ΔETS of the considered reactions indicate good correlation with the values of ϕi parameter, showing an upward trend with the curvature increasing at carbon sites. We have also investigated the H-abstraction of the chemical derivatives of the C20H20 cage (C20H19-CH3, C20H19-CH2CH3 and C20H19-CH2CH2CH3) in comparison to the corresponding isolated alkanes (CH4, C2H6 and C3H8). Overall, it could be inferred that the H-abstraction from the primary and secondary C-H bonds of isolated alkanes could occur more easily than fullarane derivatives.

A comparison of sea surface salinity in the equatorial Pacific Ocean during the 1997-1998, 2012-2013, and 2014-2015 ENSO events

NASA Astrophysics Data System (ADS)

Corbett, Caroline M.; Subrahmanyam, Bulusu; Giese, Benjamin S.

2017-11-01

Sea surface salinity (SSS) variability during the 1997-1998 El Niño event and the failed 2012-2013 and 2014-2015 El Niño events is explored using a combination of observations and ocean reanalyses. Previously, studies have mainly focused on the sea surface temperature (SST) and sea surface height (SSH) variability. This analysis utilizes salinity data from Argo and the Simple Ocean Data Assimilation (SODA) reanalysis to examine the SSS variability. Advective processes and evaporation minus precipitation (E-P) variability is understood to influence SSS variability. Using surface wind, surface current, evaporation, and precipitation data, we analyze the causes for the observed SSS variability during each event. Barrier layer thickness and upper level salt content are also examined in connection to subsurface salinity variability. Both advective processes and E-P variability are important during the generation and onset of a successful El Niño, while a lack of one or both of these processes leads to a failed ENSO event.

Gas phase hydrolysis of formaldehyde to form methanediol: impact of formic acid catalysis.

PubMed

Hazra, Montu K; Francisco, Joseph S; Sinha, Amitabha

2013-11-21

We find that formic acid (FA) is very effective at facilitating diol formation through its ability to reduce the barrier for the formaldehyde (HCHO) hydrolysis reaction. The rate limiting step in the mechanism involves the isomerization of a prereactive collision complex formed through either the HCHO···H2O + FA and/or HCHO + FA···H2O pathways. The present study finds that the effective barrier height, defined as the difference between the zero-point vibrational energy (ZPE) corrected energy of the transition state (TS) and the HCHO···H2O + FA and HCHO + FA···H2O starting reagents, are respectively only ∼1 and ∼4 kcal/mol. These barriers are substantially lower than the ∼17 kcal/mol barrier associated with the corresponding step in the hydrolysis of HCHO catalyzed by a single water molecule (HCHO + H2O + H2O). The significantly lower barrier heights for the formic acid catalyzed pathway reveal a new important role that organic acids play in the gas phase hydrolysis of atmospheric carbonyl compounds.

Characterization of WB/SiC Schottky Barrier Diodes Using I-V-T Method

NASA Astrophysics Data System (ADS)

Aldridge, James; Oder, Tom

2009-04-01

The importance of silicon carbide (SiC) semiconductor for high temperature and high power microelectronic device applications has long been established. We have fabricated SiC Schottky barrier diodes using tungsten boride (WB) as the Schottky contact. The diodes were characterized using the current-voltage-temperature method. The sample was mounted on a heated stage and the temperature varied from about 25 ^oC to 300 ^oC at intervals of 25 ^oC. From the Richardson's plot, we obtained an energy barrier height of 0.96 eV and a Richardson's constant of 71.2 AK-1cm-2. Using the modified Richardson's plot, we obtained a barrier height of 1.01 eV. From the variation of the ideality factor and the temperature, we determined a characteristic energy of 0.02 eV to 0.04 eV across the range of the measurement temperature. This implies that thermionic emission is dominant in the low measurement temperature range. Our results confirm the excellent thermal stability of WB/SiC Schottky barrier diodes.

Evaluation of Schottky barrier height on 4H-SiC m-face \\{ 1\\bar{1}00\\} for Schottky barrier diode wall integrated trench MOSFET

NASA Astrophysics Data System (ADS)

Kobayashi, Yusuke; Ishimori, Hiroshi; Kinoshita, Akimasa; Kojima, Takahito; Takei, Manabu; Kimura, Hiroshi; Harada, Shinsuke

2017-04-01

We proposed an Schottky barrier diode wall integrated trench MOSFET (SWITCH-MOS) for the purposes of shrinking the cell pitch and suppressing the forward degradation of the body diode. A trench Schottky barrier diode (SBD) was integrated into a trench gate MOSFET with a wide shielding p+ region that protected the trench bottoms of both the SBD and the MOS gate from high electrical fields in the off state. The SBD was placed on the trench sidewall of the \\{ 1\\bar{1}00\\} plane (m-face). Static and transient simulations revealed that SWITCH-MOS sufficiently suppressed the bipolar current that induced forward degradation, and we determined that the optimum Schottky barrier height (SBH) was from 0.8 to 2.0 eV. The SBH depends on the crystal planes in 4H-SiC, but the SBH of the m-face was unclear. We fabricated a planar m-face SBD for the first time, and we obtained SBHs from 1.4 to 1.8 eV experimentally with titanium or nickel as a Schottky metal.

Utilizing Schottky barriers to suppress short-channel effects in organic transistors

NASA Astrophysics Data System (ADS)

Fernández, Anton F.; Zojer, Karin

2017-10-01

Transistors with short channel lengths exhibit profound deviations from the ideally expected behavior. One of the undesired short-channel effects is an enlarged OFF current that is associated with a premature turn on of the transistor. We present an efficient approach to suppress the OFF current, defined as the current at zero gate source bias, in short-channel organic transistors. We employ two-dimensional device simulations based on the drift-diffusion model to demonstrate that intentionally incorporating a Schottky barrier for injection enhances the ON-OFF ratio in both staggered and coplanar transistor architectures. The Schottky barrier is identified to directly counteract the origin of enlarged OFF currents: Short channels promote a drain-induced barrier lowering. The latter permits unhindered injection of charges even at reverse gate-source bias. An additional Schottky barrier hampers injection for such points of operations. We explain how it is possible to find the Schottky barrier of the smallest height necessary to exactly compensate for the premature turn on. This approach offers a substantial enhancement of the ON-OFF ratio. We show that this roots in the fact that such optimal barrier heights offer an excellent compromise between an OFF current diminished by orders of magnitude and an only slightly reduced ON current.

Diffusion of One-Dimensional Crystals in Channels of Single-Walled Carbon Nanotubes

NASA Astrophysics Data System (ADS)

Zhigalina, V. G.; Kumskov, A. S.; Falaleev, N. S.; Vasiliev, A. L.; Kiselev, N. A.

2018-05-01

The transport of one-dimensional CuI crystals in channels of single-walled carbon nanotubes (SWCNTs) has been studied by high resolution electron microscopy. The diffusion kinetics has been investigated by counting the number of CuI atoms escaping from the nanotube channel. The diffusivity is calculated to be 6.8 × 10-21 m2/s, which corresponds to an activation-barrier height of 1 eV/atom. A comparison with the theoretically estimated height of the energy barrier for molecular transport through a graphene layer is indicative of mass transfer through vacancy defects in graphene.

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.

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.

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

Characterization of Cr/6H-SiC(0 0 0 1) nano-contacts by current-sensing AFM

NASA Astrophysics Data System (ADS)

Grodzicki, Miłosz; Smolarek, Szymon; Mazur, Piotr; Zuber, Stefan; Ciszewski, Antoni

2009-11-01

The electrical properties and interface chemistry of Cr/6H-SiC(0 0 0 1) contacts have been studied by current-sensing atomic force microscopy (CS-AFM) and X-ray photoelectron spectroscopy (XPS). Cr layers were vapor deposited under ultrahigh vacuum onto both ex situ etched in H 2 and in situ Ar + ion-bombarded samples. The Cr/SiC contacts are electrically non-uniform. Both the measured I- V characteristics and the modeling calculations enabled to estimate changes of the Schottky barrier height caused by Ar + bombardment. Formation of ohmic nano-contacts on Ar +-bombarded surfaces was observed.

Chemistry in interstellar space. [environment characteristics influencing reaction dynamics

NASA Technical Reports Server (NTRS)

Donn, B.

1973-01-01

The particular characteristics of chemistry in interstellar space are determined by the unique environmental conditions involved. Interstellar matter is present at extremely low densities. Large deviations from thermodynamic equilibrium are, therefore, to be expected. A relatively intense ultraviolet radiation is present in many regions. The temperatures are in the range from 5 to 200 K. Data concerning the inhibiting effect of small activation energies in interstellar clouds are presented in a table. A summary of measured activation energies or barrier heights for exothermic exchange reactions is also provided. Problems of molecule formation are discussed, taking into account gas phase reactions and surface catalyzed processes.

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.

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

Forward- and reverse-bias tunneling effects in n/+/p silicon solar cells

NASA Technical Reports Server (NTRS)

Garlick, G. F. J.; Kachare, A. H.

1980-01-01

Excess currents due to field-assisted tunneling in both forward and reverse bias directions have been observed in n(+)-p silicon solar cells. These currents arise from the effect of conducting paths produced in the depletion layer by n(+) diffusion and cell processing. Forward-bias data indicate a small potential barrier with height of 0.04 eV at the n(+) end of conducting paths. Under reverse bias, excess tunneling currents involve a potential barrier at the p end of the conducting paths, the longer paths being associated with smaller barrier heights and dominating at the lower temperatures. Low-reverse-bias data give energy levels of 0.11 eV for lower temperatures (253-293 K) and 0.35 eV for higher temperatures (293-380 K). A model is suggested to explain the results.

Electric field modulation of Schottky barrier height in graphene/MoSe{sub 2} van der Waals heterointerface

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

Sata, Yohta; Moriya, Rai, E-mail: moriyar@iis.u-tokyo.ac.jp, E-mail: tmachida@iis.u-tokyo.ac.jp; Morikawa, Sei

2015-07-13

We demonstrate a vertical field-effect transistor based on a graphene/MoSe{sub 2} van der Waals (vdW) heterostructure. The vdW interface between the graphene and MoSe{sub 2} exhibits a Schottky barrier with an ideality factor of around 1.3, suggesting a high-quality interface. Owing to the low density of states in graphene, the position of the Fermi level in the graphene can be strongly modulated by an external electric field. Therefore, the Schottky barrier height at the graphene/MoSe{sub 2} vdW interface is also modulated. We demonstrate a large current ON-OFF ratio of 10{sup 5}. These results point to the potential high performance ofmore » the graphene/MoSe{sub 2} vdW heterostructure for electronics applications.« less

Electrical Characterization of Graphite/InP Schottky Diodes by I-V-T and C-V Methods

NASA Astrophysics Data System (ADS)

Tiagulskyi, Stanislav; Yatskiv, Roman; Grym, Jan

2018-02-01

A rectifying junction was prepared by casting a drop of colloidal graphite on the surface of an InP substrate. The electrophysical properties of graphite/InP junctions were investigated in a wide temperature range. Temperature-dependent I-V characteristics of the graphite/InP junctions are explained by the thermionic emission mechanism. The Schottky barrier height (SBH) and the ideality factor were found to be 0.9 eV and 1.47, respectively. The large value of the SBH and its weak temperature dependence are explained by lateral homogeneity of the junction, which is related to the structure of the graphite layer. The moderate disagreement between the current-voltage and capacitance-voltage measurements is attributed to the formation of interfacial native oxide film on the InP surface.

Hetero-diffusion of Au epitaxy on stepped Ag(110) surface: Study of the jump rate and diffusion coefficient

NASA Astrophysics Data System (ADS)

Benlattar, M.; El koraychy, E.; Kotri, A.; Mazroui, M.

2017-12-01

We have used molecular dynamics simulations combined with an interatomic potential derived from the embedded atom method, to investigate the hetero-diffusion of Au adatom near a stepped Ag(110) surface with the height of one monoatomic layer. The activation energies for different diffusion processes, which occur on the terrace and near the step edge, are calculated both by molecular statics and molecular dynamics simulations. Static energies are found by the drag method, whereas the dynamic barriers are computed at high temperature from the Arrhenius plots. Our numerical results reveal that the jump process requires very high activation energy compared to the exchange process either on the terrace or near the step edge. In this work, other processes, such as upward and downward diffusion at step edges, have also been discussed.

Morphological evolution of protective works by Genetic Algorithms: An application to Mt Etna

NASA Astrophysics Data System (ADS)

Marocco, Davide; Spataro, William; D'Ambrosio, Donato; Filippone, Giuseppe; Rongo, Rocco; Iovine, Giulio; Neri, Marco

2013-04-01

The hazard induced by dangerous flow-type phenomena - e.g. lava flows, earth flows, debris flows, and debris avalanches - has increased in recent years due to continuous urbanization. In many cases, the numerical simulation of hypothetical events can help to forecast the flow path in advance and therefore give indications about the areas that can be considered for the construction of protective works - e.g. earth barriers or channels. In this way, urbanized areas, as well as cultural heritage sites or even important infrastructures, can be protected by diverting the flow towards lower interest regions. Here, we have considered the numerical Cellular Automata model Sciara-fv2 for simulating lava flows at Mt Etna and Genetic Algorithms for optimizing the position, orientation and extension of an earth barrier built to protect the Rifugio Sapienza, a well-known touristic facility located near the summit of the volcano. The Rifugio Sapienza area was in fact interested by a lava flow in 2003, which destroyed a Service Center, a parking area and a Cafeteria. In this study, a perimeter was devised around the Rifugio (i.e., security perimeter), which delimitates the area that has to be protected by the flow. Furthermore, another perimeter was devised (i.e., work perimeter), specifying the area in which the earth barrier can be located. The barrier is specified by three parameters, namely the two geographic coordinates of the vertex and the height. In fact, in this preliminary analysis the barrier was modeled as a segment (in plant) having a constant height. Though preliminary, the study has produced extremely positive results. Among different alternatives generated by the genetic algorithm, an interesting scenario consists of a 35 meters barrier high solution, which completely deviates the flow avoiding that the lava reaches the inhabited area. The relative elevated height of the barrier is high due to the fact that the crater is located close to the area to be protected and, consequently, the lava rate is very high.

Intramolecular H-transfer reactions in Si 2H n (for n=3-5)

NASA Astrophysics Data System (ADS)

Ernst, M. C.; Sax, A. F.; Kalcher, J.

1993-12-01

Intramolecular rearrangement reactions for doublet Si 2H 5 and Si 2H 3, quartet Si 2H 3, and singlet Si 2H 4 have been studied. aim of the study was to characterize a series of intramolecular H-transfer reactions in silicon hydrides with vrying degrees of saturation. The transition states belonging to the reactions presented in this work possess a monobridged Si 2H moiety. Structural features of the transition states and relative barrier heights have been examined; the geometry optimizations were performed with the use of CAS-SCF wavefunctions and the barrier height estimates were obtained with single-point CI calculations.

Allylic amination reactivity of Ni, Pd, and Pt heterobimetallic and monometallic complexes.

PubMed

Carlsen, Ryan W; Ess, Daniel H

2016-06-14

Transition metal heterobimetallic complexes with dative metal-metal interactions have the potential for novel fast reactivity. There are few studies that both compare the reactivity of different metal centers in heterobimetallic complexes and compare bimetallic reactivity to monometallic reactivity. Here we report density-functional calculations that show the reactivity of [Cl2Ti(N(t)BuPPh2)2M(II)(η(3)-methallyl)] heterobimetallic complexes for allylic amination follows M = Ni > Pd > Pt. This reactivity trend was not anticipated since the amine addition transition state involves M(II) to M(0) reduction and this could disadvantage Ni. Comparison of heterobimetallic complexes to the corresponding monometallic (CH2)2(N(t)BuPPh2)2M(II)(η(3)-methallyl) complexes reveals that this reactivity trend is due to the bimetallic interaction and that the bimetallic interaction significantly lowers the barrier height for amine addition by >10 kcal mol(-1). The impact of the early transition metal center on the amination addition barrier height depends on the late transition metal center. The lowest barrier heights for this reaction occur when late and early transition metal centers are from the same periodic table row.

Investigation of the CH3Cl + CN(-) reaction in water: Multilevel quantum mechanics/molecular mechanics study.

PubMed

Xu, Yulong; Zhang, Jingxue; Wang, Dunyou

2015-06-28

The CH3Cl + CN(-) reaction in water was studied using a multilevel quantum mechanics/molecular mechanics (MM) method with the multilevels, electrostatic potential, density functional theory (DFT) and coupled-cluster single double triple (CCSD(T)), for the solute region. The detailed, back-side attack SN2 reaction mechanism was mapped along the reaction pathway. The potentials of mean force were calculated under both the DFT and CCSD(T) levels for the reaction region. The CCSD(T)/MM level of theory presents a free energy activation barrier height at 20.3 kcal/mol, which agrees very well with the experiment value at 21.6 kcal/mol. The results show that the aqueous solution has a dominant role in shaping the potential of mean force. The solvation effect and the polarization effect together increase the activation barrier height by ∼11.4 kcal/mol: the solvation effect plays a major role by providing about 75% of the contribution, while polarization effect only contributes 25% to the activation barrier height. Our calculated potential of mean force under the CCSD(T)/MM also has a good agreement with the one estimated using data from previous gas-phase studies.

The 6-31B(d) basis set and the BMC-QCISD and BMC-CCSD multicoefficient correlation methods.

PubMed

Lynch, Benjamin J; Zhao, Yan; Truhlar, Donald G

2005-03-03

Three new multicoefficient correlation methods (MCCMs) called BMC-QCISD, BMC-CCSD, and BMC-CCSD-C are optimized against 274 data that include atomization energies, electron affinities, ionization potentials, and reaction barrier heights. A new basis set called 6-31B(d) is developed and used as part of the new methods. BMC-QCISD has mean unsigned errors in calculating atomization energies per bond and barrier heights of 0.49 and 0.80 kcal/mol, respectively. BMC-CCSD has mean unsigned errors of 0.42 and 0.71 kcal/mol for the same two quantities. BMC-CCSD-C is an equally effective variant of BMC-CCSD that employs Cartesian rather than spherical harmonic basis sets. The mean unsigned error of BMC-CCSD or BMC-CCSD-C for atomization energies, barrier heights, ionization potentials, and electron affinities is 22% lower than G3SX(MP2) at an order of magnitude less cost for gradients for molecules with 9-13 atoms, and it scales better (N6 vs N,7 where N is the number of atoms) when the size of the molecule is increased.

Investigation of the CH3Cl + CN- reaction in water: Multilevel quantum mechanics/molecular mechanics study

NASA Astrophysics Data System (ADS)

Xu, Yulong; Zhang, Jingxue; Wang, Dunyou

2015-06-01

The CH3Cl + CN- reaction in water was studied using a multilevel quantum mechanics/molecular mechanics (MM) method with the multilevels, electrostatic potential, density functional theory (DFT) and coupled-cluster single double triple (CCSD(T)), for the solute region. The detailed, back-side attack SN2 reaction mechanism was mapped along the reaction pathway. The potentials of mean force were calculated under both the DFT and CCSD(T) levels for the reaction region. The CCSD(T)/MM level of theory presents a free energy activation barrier height at 20.3 kcal/mol, which agrees very well with the experiment value at 21.6 kcal/mol. The results show that the aqueous solution has a dominant role in shaping the potential of mean force. The solvation effect and the polarization effect together increase the activation barrier height by ˜11.4 kcal/mol: the solvation effect plays a major role by providing about 75% of the contribution, while polarization effect only contributes 25% to the activation barrier height. Our calculated potential of mean force under the CCSD(T)/MM also has a good agreement with the one estimated using data from previous gas-phase studies.

Tuning the electronic properties and Schottky barrier height of the vertical graphene/MoS2 heterostructure by an electric gating

NASA Astrophysics Data System (ADS)

Nguyen, Chuong V.

2018-04-01

In this paper, the electronic properties and Schottky contact in graphene/MoS2 (G/MoS2) heterostructure under an applied electric field are investigated by means of the density functional theory. It can be seen that the electronic properties of the G/MoS2 heterostructure are preserved upon contacting owing to the weak van der Waals interaction. We found that the n-type Schottky contact is formed in the G/MoS2 heterostructure with the Schottky barrier height of 0.49 eV. Furthermore, both Schottky contact and Schottky barrier height in the G/MoS2 heterostructure could be controlled by the applied electric field. If a positive electric field of 4 V/nm is applied to the system, a transformation from the n-type Schottky contact to the p-type one was observed, whereas the system keeps an n-type Schottky contact when a negative electric field is applied. Our results may provide helpful information to design, fabricate, and understand the physics mechanism in the graphene-based two-dimensional van der Waals heterostructures like as G/MoS2 heterostructure.

Influence of Turbulence on the Restraint of Liquid Jets by Surface Tension in Microgravity Investigated

NASA Technical Reports Server (NTRS)

Chato, David J.

2002-01-01

Microgravity poses many challenges to the designer of spacecraft tanks. Chief among these are the lack of phase separation and the need to supply vapor-free liquid or liquidfree vapor to the spacecraft processes that require fluid. One of the principal problems of phase separation is the creation of liquid jets. A jet can be created by liquid filling, settling of the fluid to one end of the tank, or even closing a valve to stop the liquid flow. Anyone who has seen a fountain knows that jets occur in normal gravity also. However, in normal gravity, the gravity controls and restricts the jet flow. In microgravity, with gravity largely absent, surface tension forces must contain jets. To model this phenomenon, a numerical method that tracks the fluid motion and the surface tension forces is required. Jacqmin has developed a phase model that converts the discrete surface tension force into a barrier function that peaks at the free surface and decays rapidly away. Previous attempts at this formulation were criticized for smearing the interface. This can be overcome by sharpening the phase function, double gridding the fluid function, and using a higher order solution for the fluid function. The solution of this equation can be rewritten as two coupled Poisson equations that also include the velocity. After the code was implemented in axisymmetric form and verified by several test cases at the NASA Glenn Research Center, the drop tower runs of Aydelott were modeled. Work last year with a laminar model was found to overpredict Aydelott's results, except at the lowest Reynolds number conditions of 400. This year, a simple turbulence model was implemented by adding a turbulent viscosity based on the mixing-length hypothesis and empirical measurements of previous works. Predictions made after this change was implemented have been much closer to experimentally observed flow patterns and geyser heights. Two model runs is shown. The first, without any turbulence correction, breaks through the free surface and strikes the far end of the tank. In the second, the turbulence spreads the jet momentum over more of the free surface, enabling the surface tension forces to turn the jet back into the bulk liquid. The model geyser height with the second model is 1.1 cm. This is quite close to the 1.5-cm geyser height measured by Aydelott.

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.

Photocurrent modulation under dual excitation in individual GaN nanowires.

PubMed

Yadav, Shivesh; Deb, Swarup; Gupta, Kantimay Das; Dhar, Subhabrata

2018-06-21

The photo-response properties of vapor-liquid-solid (VLS) grown [101[combining macron]0] oriented individual GaN nanowires of the diameter ranging from 30 to 100 nm are investigated under the joint illumination of above and sub-bandgap lights. When illuminated with above-bandgap light, these wires show persistent photoconductivity (PPC) effects with long build-up and decay times. The study reveals the quenching of photoconductivity (PC) upon illumination with an additional sub-bandgap light. PC recovers when the sub-bandgap illumination is withdrawn. A rate equation model attributing the PPC effect to the entrapment of photo-generated holes in the surface states and the PC quenching effect on the sub-bandgap light driven release of the holes from the trapped states has been proposed. The average height of the capture barrier has been found to be about 400 meV. The study also suggests that the capture barrier has a broad distribution with an upper cut-off energy of ∼2 eV.

The ^132Sn + ^96Zr reaction: a study of fusion enhancement/hindrance

NASA Astrophysics Data System (ADS)

Loveland, Walter; Vinodkumar, A. M.; Neeway, James; Sprunger, Peter; Prisbrey, Landon; Peterson, Donald; Liang, J. F.; Shapira, Dan; Gross, C. J.; Varner, R. L.; Kolata, J. J.; Roberts, A.; Caraley, A. L.

2008-10-01

Capture-fission cross sections were measured for the collision of the massive nucleus ^132Sn with ^96Zr at center of mass energies ranging from 192.8 to 249.6 MeV in an attempt to study fusion enhancement and hindrance in this reaction involving very neutron-rich nuclei. Coincident fission fragments were detected using silicon detectors. Using angle and energy conditions, deep inelastic scattering events were separated from fission events. Coupled channels calculations can describe the data if the surface diffuseness parameter, a, is allowed to be 1.10 fm, instead of the customary 0.6 fm. The measured capture-fission cross sections agree moderately well with model calculations using the dinuclear system (DNS) model. If we use this model to predict fusion barrier heights for these reactions, we find the predicted fusion hindrance, as represented by the extra push energy, is greater for the more neutron-rich system, lessening the advantage of the lower interaction barriers with neutron rich projectiles.

132Sn+96Zr reaction: A study of fusion enhancement/hindrance

NASA Astrophysics Data System (ADS)

Vinodkumar, A. M.; Loveland, W.; Neeway, J. J.; Prisbrey, L.; Sprunger, P. H.; Peterson, D.; Liang, J. F.; Shapira, D.; Gross, C. J.; Varner, R. L.; Kolata, J. J.; Roberts, A.; Caraley, A. L.

2008-11-01

Capture-fission cross sections were measured for the collision of the massive nucleus Sn132 with Zr96 at center-of-mass energies ranging from 192.8 to 249.6 MeV in an attempt to study fusion enhancement and hindrance in this reaction involving very neutron-rich nuclei. Coincident fission fragments were detected using silicon detectors. Using angle and energy conditions, deep inelastic scattering events were separated from fission events. Coupled-channels calculations can describe the data if the surface diffuseness parameter, a, is allowed to be 1.10 fm instead of the customary 0.6 fm. The measured capture-fission cross sections agree moderately well with model calculations using the dinuclear system model. If we use this model to predict fusion barrier heights for these reactions, we find the predicted fusion hindrance, as represented by the extra push energy, is greater for the more neutron-rich system, lessening the advantage of the lower interaction barriers with neutron-rich projectiles.

Effects of a Single Water Molecule on the Reaction Barrier of Interstellar CO2 Formation Reaction.

PubMed

Tachikawa, Hiroto; Kawabata, Hiroshi

2016-08-25

The mechanism by which CO2 is formed in the interstellar space remains a mystery. The most likely reaction is collision between CO and OH; however, previous theoretical works have shown that the activation barrier for CO2 formation is high enough to prevent the reaction at the low thermal conditions of space (∼10 K). The effects of single water molecule on the reaction barrier of CO2 formation from reaction between CO and OH have been investigated here by means of ab initio calculation. The barrier height along the lowest-energy pathway in the reaction between CO and OH in the absence of the H2O molecule was calculated to be 2.3 kcal/mol when CCSD(T) energy corrections are combined with the MP2 basis set limit. In the case of the hydrated (H2O-CO-OH) system, the inclusion of a single H2O molecule into the system significantly decreased the barrier height to 0.2 kcal/mol. This suggests that CO2 can be formed when CO and OH react in the presence of H2O, even under thermal conditions as low as 10 K.

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.

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.

The Impact of Roadside Barriers and Buildings on Near Road Concentrations of Vehicle Emissions

NASA Astrophysics Data System (ADS)

Schulte, Nico

Exposure to elevated concentrations of vehicle emitted pollutants is associated with negative health effects. Elevated concentrations are typically found within several hundred meters of high traffic roads, where atmospheric dispersion has not sufficiently diluted pollutants. Tall buildings next to roads reduce dispersion, thereby creating pollutant hot spots and increasing exposure to vehicle emissions for city residents. Roadside barriers enhance dispersion of roadway emissions and thus can be used to mitigate elevated concentrations next to large roads. The work in this thesis develops semi-empirical dispersion models that are useful for estimating near road concentrations of vehicle emissions when there are buildings or barriers next to the road. Dispersion models that account for the effect of near road barriers on concentrations are developed and evaluated with data from a wind tunnel and a field tracer study. The model evaluation shows that the primary effect of roadside barriers is enhancement of the vertical mixing by an amount proportional to the barrier height. Additionally, turbulence is enhanced in the barrier's wake, resulting in more rapid growth of the pollutant plume. The models perform well during neutral and stable atmospheric conditions. During unstable conditions the models overestimate concentrations. A model that accounts for reduction of the mean wind speed in the barrier wake is unbiased for all stabilities. Models of the impact of tall buildings next to the road on near road concentrations of vehicle emissions are developed. The models are evaluated with data from field measurements conducted in Los Angeles and Riverside counties, CA, and with data from an urban area in Hannover, Germany. The study specifically investigates dispersion in cities with significant building height variability. Model evaluation shows that vertical turbulent transport dominates dispersion in cities. The primary variables governing near road concentrations of vehicle emissions in cities are the ratio of area weighted building height to street width and the vertical averaged standard deviation of vertical velocity fluctuations. The model informs design of transit oriented developments, dense residential areas located in close proximity to transportation infrastructure, which are used to reduce pollution and greenhouse gas emissions due to transportation.

Temperature dependent electrical properties of rare-earth metal Er Schottky contact on p-type InP

NASA Astrophysics Data System (ADS)

Rao, L. Dasaradha; Reddy, N. Ramesha; Kumar, A. Ashok; Reddy, V. Rajagopal

2013-06-01

The current-voltage (I-V) characteristics of the Er/p-InP Schottky barrier diodes (SBDs) have been investigated in the temperature range of 300-400K in steps of 25K. The electrical parameters such as ideality factor (n) and zero-bias barrier height (Φbo) are found to be strongly temperature dependent. It is observed that ΦI-V decreases whereas n increases with decreasing temperature. The series resistance is also calculated from the forward I-V characteristics of Er/p-InP SBD and it is found to be strongly dependent on temperature. Further, the temperature dependence of energy distribution of interface state density (NSS) profiles is determined from the forward I-V measurements by taking into account the bias dependence of the effective barrier height and ideality factor. It is observed that the NSS values increase with a decrease in temperature.

Towards a converged barrier height for the entrance channel transition state of the N( 2D) + CH 4 reaction and its implication for the chemistry in Titan's atmosphere

NASA Astrophysics Data System (ADS)

Ouk, Chanda-Malis; Zvereva-Loëte, Natalia; Bussery-Honvault, Béatrice

2011-10-01

The N( 2D) + CH 4 reaction appears to be a key reaction for the chemistry of Titan's atmosphere, opening the door to nitrile formation as recently observed by the Cassini-Huygens mission. Faced to the controversy concerning the existence or not of a potential barrier for this reaction, we have carried out accurate ab initio calculations by means of multi-state multi-reference configuration interaction (MS-MR-SDCI) method. These calculations have been partially corrected for the size-consistency errors (SCE) by Davidson, Pople or AQCC corrections. We suggest a barrier height of 3.86 ± 0.84 kJ/mol, including ZPE, for the entrance transition state, in good agreement with the experimental value. Its implication in Titan's atmopsheric chemistry is discussed.

Ideal MHD Stability Prediction and Required Power for EAST Advanced Scenario

NASA Astrophysics Data System (ADS)

Chen, Junjie; Li, Guoqiang; Qian, Jinping; Liu, Zixi

2012-11-01

The Experimental Advanced Superconducting Tokamak (EAST) is the first fully superconducting tokamak with a D-shaped cross-sectional plasma presently in operation. The ideal magnetohydrodynamic (MHD) stability and required power for the EAST advanced tokamak (AT) scenario with negative central shear and double transport barrier (DTB) are investigated. With the equilibrium code TOQ and stability code GATO, the ideal MHD stability is analyzed. It is shown that a moderate ratio of edge transport barriers' (ETB) height to internal transport barriers' (ITBs) height is beneficial to ideal MHD stability. The normalized beta βN limit is about 2.20 (without wall) and 3.70 (with ideal wall). With the scaling law of energy confinement time, the required heating power for EAST AT scenario is calculated. The total heating power Pt increases as the toroidal magnetic field BT or the normalized beta βN is increased.

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.

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.

Zinc Oxide-Based Schottky Diode Prepared Using Radio-Frequency Magnetron Cosputtering System

NASA Astrophysics Data System (ADS)

Lai, Bo-Ting; Lee, Ching-Ting; Hong, Jhen-Dong; Yao, Shiau-Lu; Liu, Day-Shan

2010-08-01

The rectifying property of a zinc oxide (ZnO)-based Schottky diode prepared using a radio-frequency (rf) magnetron cosputtering system was improved by enhancing the cosputtered ZnO crystal quality, thereby optimizing the ohmic contact resistance and compensating the Schottky contact surface states. An undoped ZnO layer with a high c-axis orientation and a low internal residual stress was achieved using a postannealing treatment. A homogeneous n-type ZnO-indium tin oxide (ITO) cosputtered film was deposited onto the undoped ZnO layer to optimize the ohmic contact behavior to the Al electrode. The Schottky contact surface of the undoped ZnO layer to the Ni/Au electrode was passivated using an oxygen plasma treatment. Owing to the compensation of the native oxygen vacancies (VO) on the undoped ZnO surface, the leakage current markedly decreased and subsequently led to a quality Schottky diode performance with an ideality factor of 1.23 and a Schottky barrier height of 0.82 eV.

Methylamine adsorption and decomposition on B12N12 nanocage: A density functional theory study

NASA Astrophysics Data System (ADS)

Esrafili, Mehdi D.; Nurazar, Roghaye

2014-08-01

Density functional theory calculations are performed to investigate the adsorption and decomposition of methylamine (CH3NH2) on the surface of a B12N12 fullerene-like nanocage. Two adsorption types and two reaction channels are identified. It is found that the electrical conductivity of the nanocage can be modified upon the adsorption of CH3NH2. The pathways of CH3NH2 decomposition via bond scission of the Csbnd N and Nsbnd H bonds are examined. The results indicate that Nsbnd H bond scission is the most favorable pathway on the B12N12 surface. The side reaction that generates CH3 and NH2 fragments is endothermic by 15.6 kcal/mol with an energy-barrier height of 81.5 kcal/mol. For the CH3NH2 decomposition on the B12N12 surface, the rate-determining step appears to be as the following reaction: CH3NH → CH3N + H.

Defect-free erbium silicide formation using an ultrathin Ni interlayer.

PubMed

Choi, Juyun; Choi, Seongheum; Kang, Yu-Seon; Na, Sekwon; Lee, Hoo-Jeong; Cho, Mann-Ho; Kim, Hyoungsub

2014-08-27

An ultrathin Ni interlayer (∼1 nm) was introduced between a TaN-capped Er film and a Si substrate to prevent the formation of surface defects during thermal Er silicidation. A nickel silicide interfacial layer formed at low temperatures and incurred uniform nucleation and the growth of a subsequently formed erbium silicide film, effectively inhibiting the generation of recessed-type surface defects and improving the surface roughness. As a side effect, the complete transformation of Er to erbium silicide was somewhat delayed, and the electrical contact property at low annealing temperatures was dominated by the nickel silicide phase with a high Schottky barrier height. After high-temperature annealing, the early-formed interfacial layer interacted with the growing erbium silicide, presumably forming an erbium silicide-rich Er-Si-Ni mixture. As a result, the electrical contact property reverted to that of the low-resistive erbium silicide/Si contact case, which warrants a promising source/drain contact application for future high-performance metal-oxide-semiconductor field-effect transistors.

Effects of surface morphology on the optical and electrical properties of Schottky diodes of CBD deposited ZnO nanostructures

NASA Astrophysics Data System (ADS)

Mwankemwa, Benard S.; Akinkuade, Shadrach; Maabong, Kelebogile; Nel, Jackie M.; Diale, Mmantsae

2018-04-01

We report on effect of surface morphology on the optical and electrical properties of chemical bath deposited Zinc oxide (ZnO) nanostructures. ZnO nanostructures were deposited on the seeded conducting indium doped tin oxide substrate positioned in three different directions in the growth solution. Field emission scanning electron microscopy was used to evaluate the morphological properties of the synthesized nanostructures and revealed that the positioning of the substrate in the growth solution affects the surface morphology of the nanostructures. The optical absorbance, photoluminescence and Raman spectroscopy of the resulting nanostructures are discussed. The electrical characterization of the Schottky diode such as barrier height, ideality factor, rectification ratios, reverse saturation current and series resistance were found to depend on the nanostructures morphology. In addition, current transport mechanism in the higher forward bias of the Schottky diode was studied and space charge limited current was found to be the dominant transport mechanism in all samples.

The photovoltaic impact of atomic layer deposited TiO2 interfacial layer on Si-based photodiodes

NASA Astrophysics Data System (ADS)

Karabulut, Abdulkerim; Orak, İkram; Türüt, Abdulmecit

2018-06-01

In present work, photocurrent, current-voltage (I-V) and capacitance/conductance-voltage-frequency (C/G-V-f) measurements were analyzed for the photodiode and diode parameters of Al/TiO2/p-Si structure. The TiO2 thin film structure was deposited on p-Si by using atomic layer deposition technique (ALD) and its thickness was about 10 nm. The surface morphology of TiO2 coated on p-Si structure was observed via atomic force microscope (AFM). Barrier height (Φb) and ideality factor (n) values of device were found to be 0.80 eV, 0.70 eV, 0.56 eV and 1.04, 2.24, 10.27 under dark, 10 and 100 mW/cm2, respectively. Some photodiodes parameters such as fill factor (FF), power efficiency (%η), open circuit voltage (Voc), short circuit current (Isc) were obtained from I-V measurement under different light intensity. FF and η were accounted 49.2, 39,0 and 0.05, 0.45 under 10 and 100 mW/cm2 light power intensity, respectively. C-2-V graph was plotted from C-V-f measurements and zero bias voltage (V0), donor concentration (Nd), Fermi energy (EF), barrier height (Φb) and maximum electric field (Em) were determined from C-2-V data for different frequencies. The electrical and photocurrent values demonstrated that it can be used for photodiode, photo detector and photo sensing applications.

Transport gap of organic semiconductors in organic modified Schottky contacts

NASA Astrophysics Data System (ADS)

Zahn, Dietrich R. T.; Kampen, Thorsten U.; Méndez, Henry

2003-05-01

Two different organic molecules with similar structure, 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) and N, N'-dimethyl-3,4,9,10-perylenetetracarboxylic diimide (DiMe-PTCDI), were used for the modification of Ag Schottky contacts on sulphur passivated GaAs(1 0 0) (S-GaAs). Such diodes were investigated recording in situ current-voltage ( I- V) characteristics. As a function of the PTCDA thickness the effective barrier height of Ag/PTCDA/S-GaAs contacts initially increases from 0.59±0.01 to 0.72±0.01 eV, and then decreases to 0.54±0.01 eV, while only a decrease in barrier height from 0.54±0.01 to 0.45±0.01 eV is observed for DiMe-PTCDI interlayers. The initial increase and decrease in effective barrier height for PTCDA and DiMe-PTCDI respectively, is correlated with the energy level alignment of the lowest unoccupied molecular orbital (LUMO) with respect to the conduction band minimum (CBM) of S-GaAs at the organic/inorganic semiconductor interface. Whilst there is an additional barrier for electrons at the PTCDA/S-GaAs interface of about 150 meV, i.e. the LUMO lies above CBM, the LUMO is aligned or below CBM in the DiMe-PTCDI case. The results also shine light on the important issue of the transport gap in organic semiconductors for which an estimation can be obtained.

Study of hydrogen-molecule guests in type II clathrate hydrates using a force-matched potential model parameterised from ab initio molecular dynamics

NASA Astrophysics Data System (ADS)

Burnham, Christian J.; Futera, Zdenek; English, Niall J.

2018-03-01

The force-matching method has been applied to parameterise an empirical potential model for water-water and water-hydrogen intermolecular interactions for use in clathrate-hydrate simulations containing hydrogen guest molecules. The underlying reference simulations constituted ab initio molecular dynamics (AIMD) of clathrate hydrates with various occupations of hydrogen-molecule guests. It is shown that the resultant model is able to reproduce AIMD-derived free-energy curves for the movement of a tagged hydrogen molecule between the water cages that make up the clathrate, thus giving us confidence in the model. Furthermore, with the aid of an umbrella-sampling algorithm, we calculate barrier heights for the force-matched model, yielding the free-energy barrier for a tagged molecule to move between cages. The barrier heights are reasonably large, being on the order of 30 kJ/mol, and are consistent with our previous studies with empirical models [C. J. Burnham and N. J. English, J. Phys. Chem. C 120, 16561 (2016) and C. J. Burnham et al., Phys. Chem. Chem. Phys. 19, 717 (2017)]. Our results are in opposition to the literature, which claims that this system may have very low barrier heights. We also compare results to that using the more ad hoc empirical model of Alavi et al. [J. Chem. Phys. 123, 024507 (2005)] and find that this model does very well when judged against the force-matched and ab initio simulation data.

Influence of the dynamic lattice strain on the transport behavior of oxide heterojunctions

NASA Astrophysics Data System (ADS)

Wang, J.; Hu, F. X.; Chen, L.; Zhao, Y. Y.; Lu, H. X.; Sun, J. R.; Shen, B. G.

2013-01-01

All-perovskite oxide heterojunctions composed of electron-doped titanate LaxSr1 - xTiO3 (x = 0.1, 0.15) and hole-doped manganite La0.67Ca0.33MnO3 films were fabricated on piezoelectric substrate of (001)-0.7Pb(Mg1/3Nb2/3)O3-0.3PbTiO3 (PMN-PT). Taking advantage of the excellent converse piezoelectric effect of PMN-PT, we investigated the influence of the dynamic lattice strain on transport properties of the heterojunctions by applying external bias electric fields on the PMN-PT substrate. Photovoltaic experiments were carried out to characterize the interfacial barrier of the heterojunction. A linear reduction in the barrier height was observed with the increase of the bias field applied on PMN-PT. The value of the barrier height reduces from ˜1.55 (˜1.30) to 1.02 (1.08) eV as the bias field increases from 0 to 12 kV/cm for the junction of La0.10Sr0.9TiO3/La0.67Ca0.33MnO3 (La0.15Sr0.85TiO3/La0.67Ca0.33MnO3). The observed dependency of barrier height on external field can be ascribed to the increasing release of trapped carriers by strain modulation, which results in a suppression of the depletion layer and increases the opportunity for electron tunneling across the depletion area.

Electrical characteristics of multilayer MoS2 FET's with MoS2/graphene heterojunction contacts.

PubMed

Kwak, Joon Young; Hwang, Jeonghyun; Calderon, Brian; Alsalman, Hussain; Munoz, Nini; Schutter, Brian; Spencer, Michael G

2014-08-13

The electrical properties of multilayer MoS2/graphene heterojunction transistors are investigated. Temperature-dependent I-V measurements indicate the concentration of unintentional donors in exfoliated MoS2 to be 3.57 × 10(11) cm(-2), while the ionized donor concentration is determined as 3.61 × 10(10) cm(-2). The temperature-dependent measurements also reveal two dominant donor levels, one at 0.27 eV below the conduction band and another located at 0.05 eV below the conduction band. The I-V characteristics are asymmetric with drain bias voltage and dependent on the junction used for the source or drain contact. I-V characteristics of the device are consistent with a long channel one-dimensional field-effect transistor model with Schottky contact. Utilizing devices, which have both graphene/MoS2 and Ti/MoS2 contacts, the Schottky barrier heights of both interfaces are measured. The charge transport mechanism in both junctions was determined to be either thermionic-field emission or field emission depending on bias voltage and temperature. On the basis of a thermionic field emission model, the barrier height at the graphene/MoS2 interface was determined to be 0.23 eV, while the barrier height at the Ti/MoS2 interface was 0.40 eV. The value of Ti/MoS2 barrier is higher than previously reported values, which did not include the effects of thermionic field emission.

A Bayesian Network to Predict Barrier Island Geomorphologic Characteristics

NASA Astrophysics Data System (ADS)

Gutierrez, B.; Plant, N. G.; Thieler, E. R.; Turecek, A.; Stippa, S.

2014-12-01

Understanding how barrier islands along the Atlantic and Gulf coasts of the United States respond to storms and sea-level rise is an important management concern. Although these threats are well recognized, quantifying the integrated vulnerability is challenging due to the range of time and space scalesover which these processes act. Developing datasets and methods to identify the physical vulnerabilities of coastal environments due to storms and sea-level rise thus is an important scientific focus that supports land management decision making. Here we employ a Bayesian Network (BN) to model the interactions between geomorphic variables sampled from existing datasets that capture both storm-and sea-level rise related coastal evolution. The BN provides a means of estimating probabilities of changes in specific geomorphic characteristics such as foredune crest height, beach width, beach height, given knowledge of barrier island width, maximum barrier island elevation, distance from an inlet, the presence of anthropogenic modifications, and long-term shoreline change rates, which we assume to be directly related to sea-level rise. We evaluate BN skill and explore how different constraints, such as shoreline change characteristics (eroding, stable, accreting), distance to nearby inlets and island width, affect the probability distributions of future morphological characteristics. Our work demonstrates that a skillful BN can be constructed and that factors such as distance to inlet, shoreline change rate, and the presence of human alterations have the strongest influences on network performance. For Assateague Island, Maryland/Virginia, USA, we find that different shoreline change behaviors affect the probabilities of specific geomorphic characteristics, such as dune height, which allows us to identify vulnerable locations on the barrier island where habitat or infrastructure may be vulnerable to storms and sea-level rise.

Conductance and refraction across a Barrier in Phosphorene

NASA Astrophysics Data System (ADS)

Dahal, Dipendra; Gumbs, Godfrey

The transmission coefficient and ballistic conductance for monolayer black phosphorene is calculated when a potential step or square barrier is present. The Landauer-B¨uttiker formalism is employed in our calculations of the conductance. We obtain the refractive index for the step potential barrier when an incident beam of electron travel along different paths so as to observe what role the anisotropy of the energy bands plays. Numerical results are presented for various potential heights and barrier widths and these are compared with those for gapless and gapped graphene.

Gray scale x-ray mask

DOEpatents

Morales, Alfredo M [Livermore, CA; Gonzales, Marcela [Seattle, WA

2006-03-07

The present invention describes a method for fabricating an embossing tool or an x-ray mask tool, providing microstructures that smoothly vary in height from point-to-point in etched substrates, i.e., structure which can vary in all three dimensions. The process uses a lithographic technique to transfer an image pattern in the surface of a silicon wafer by exposing and developing the resist and then etching the silicon substrate. Importantly, the photoresist is variably exposed so that when developed some of the resist layer remains. The remaining undeveloped resist acts as an etchant barrier to the reactive plasma used to etch the silicon substrate and therefore provides the ability etch structures of variable depths.

Ultrathin strain-gated field effect transistor based on In-doped ZnO nanobelts

NASA Astrophysics Data System (ADS)

Zhang, Zheng; Du, Junli; Li, Bing; Zhang, Shuhao; Hong, Mengyu; Zhang, Xiaomei; Liao, Qingliang; Zhang, Yue

2017-08-01

In this work, we fabricated a strain-gated piezoelectric transistor based on single In-doped ZnO nanobelt with ±(0001) top/bottom polar surfaces. In the vertical structured transistor, the Pt tip of the AFM and Au film are used as source and drain electrode. The electrical transport performance of the transistor is gated by compressive strains. The working mechanism is attributed to the Schottky barrier height changed under the coupling effect of piezoresistive and piezoelectric. Uniquely, the transistor turns off under the compressive stress of 806 nN. The strain-gated transistor is likely to have important applications in high resolution mapping device and MEMS devices.

Dusty plasma in the region of the lunar terminator

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

Popel, S. I., E-mail: popel@iki.rssi.ru; Zelenyi, L. M.; Atamaniuk, B.

2016-05-15

Dusty plasma in the region of the lunar terminator is considered. It is shown that, in this region, a structure resembling a plasma sheath forms near the lunar surface. This sheath creates a potential barrier, due to which electrons over the illuminated part of the Moon are confined by electrostatic forces. The width of the sheath-like structure is on the order of the ion Debye length. In this structure, significant (about several hundred V/m) electric fields arise, which lift charged micron-size dust grains to heights of several tens of centimeters. The suggested effect may be used to explain the glowmore » observed by the Surveyor spacecraft over the lunar terminator.« less

Spray particle drift mitigation using field corn (Zea mays L.) as a drift barrier.

PubMed

Vieira, Bruno C; Butts, Thomas R; Rodrigues, Andre O; Golus, Jeffrey A; Schroeder, Kasey; Kruger, Greg R

2018-04-24

Herbicide particle drift reduces application efficacy and can cause severe impacts on nearby vegetation depending on the herbicide mode-of-action, exposure level, and tolerance to the herbicide. A particle drift mitigation effort placing windbreaks or barriers on the field boundaries to reduce off-target movement of spray particles has been utilized in the past. The objective of this research was to evaluate the effectiveness of field corn (Zea mays L.) at different heights as a particle drift barrier. Applications with a non-air inclusion flat fan nozzle (ER11004) resulted in greater particle drift when compared to an air inclusion nozzle (TTI11004). Eight rows of corn were used as barriers (0.91, 1.22, and 1.98 m height) which reduced the particle drift for both nozzles, especially at shorter downwind distances. Applications with the ER11004 nozzle without corn barriers had 1% of the applied rate (D 99 ) predicted to deposit at 14.8 m downwind, whereas this distance was reduced (up to 7-fold) when applications were performed with corn barriers. The combination of corn drift barriers and nozzle selection (TTI11004) provided satisfactory particle drift reduction when the D 99 estimates were compared to applications with the ER11004 nozzle without corn barriers (up to 10-fold difference). The corn drift barriers were effective in reducing particle drift from applications with the ER11004 and the TTI11004 nozzles (Fine and Ultra Coarse spray classifications, respectively). The corn drift barrier had appropriate porosity and width as the airborne spray was captured within its canopy instead of deflecting up and over it. This article is protected by copyright. All rights reserved.

Vertical field effect tunneling transistor based on graphene-ultrathin Si nanomembrane heterostructures

NASA Astrophysics Data System (ADS)

Das, Tanmoy; Jang, Houk; Bok Lee, Jae; Chu, Hyunwoo; Kim, Seong Dae; Ahn, Jong-Hyun

2015-12-01

Graphene-based heterostructured vertical transistors have attracted a great deal of research interest. Herein we propose a Si-based technology platform for creating graphene/ultrathin semiconductor/metal (GSM) junctions, which can be applied to large-scale and low-power electronics compatible with a variety of substrates. We fabricated graphene/Si nanomembrane (NM)/metal vertical heterostructures by using a dry transfer technique to transfer Si NMs onto chemical vapor deposition-grown graphene layers. The resulting van der Waals interfaces between graphene and p-Si NMs exhibited nearly ideal Schottky barrier behavior. Due to the low density of states of graphene, the graphene/Si NM Schottky barrier height can be modulated by modulating the band profile in the channel region, yielding well-defined current modulation. We obtained a maximum current on/off ratio (Ion/Ioff) of up to ˜103, with a current density of 102 A cm-2. We also observed significant dependence of Schottky barrier height Δφb on the thickness of the Si NMs. We confirmed that the transport in these devices is dominated by the effects of the graphene/Si NM Schottky barrier.

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.

Laser probe for measuring 2-D wave slope spectra of ocean capillary waves

NASA Technical Reports Server (NTRS)

Palm, C. S.; Anderson, R. C.; Reece, A. M.

1977-01-01

A laser-optical instrument for use in determining the two-dimensional wave-slope spectrum of ocean capillary waves is described. The instrument measures up to a 35-deg tip angle of the surface normal by measuring the position of a refracted laser beam directed vertically upward through a water surface. A telescope, a continuous two-dimensional Schottky barrier photodiode, and a pair of analog dividers render the signals independent of water height and insensitive to laser-beam intensity fluctuations. Calibration is performed entirely in the laboratory before field use. Sample records and wave-slope spectra are shown for one-dimensional wave-tank tests and for two-dimensional ocean tests. These are presented along with comparison spectra for calm and choppy water conditions. A mechanical wave follower was used to adjust the instrument position in the presence of large ocean swell and tides.

Analysis of the mechanism of nucleosome survival during transcription

PubMed Central

Chang, Han-Wen; Kulaeva, Olga I.; Shaytan, Alexey K.; Kibanov, Mikhail; Kuznedelov, Konstantin; Severinov, Konstantin V.; Kirpichnikov, Mikhail P.; Clark, David J.; Studitsky, Vasily M.

2014-01-01

Maintenance of nucleosomal structure in the cell nuclei is essential for cell viability, regulation of gene expression and normal aging. Our previous data identified a key intermediate (a small intranucleosomal DNA loop, Ø-loop) that is likely required for nucleosome survival during transcription by RNA polymerase II (Pol II) through chromatin, and suggested that strong nucleosomal pausing guarantees efficient nucleosome survival. To evaluate these predictions, we analysed transcription through a nucleosome by different, structurally related RNA polymerases and mutant yeast Pol II having different histone-interacting surfaces that presumably stabilize the Ø-loop. The height of the nucleosomal barrier to transcription and efficiency of nucleosome survival correlate with the net negative charges of the histone-interacting surfaces. Molecular modeling and analysis of Pol II-nucleosome intermediates by DNase I footprinting suggest that efficient Ø-loop formation and nucleosome survival are mediated by electrostatic interactions between the largest subunit of Pol II and core histones. PMID:24234452

Heterointerface engineering of broken-gap InAs/GaSb multilayer structures.

PubMed

Liu, Jheng-Sin; Zhu, Yan; Goley, Patrick S; Hudait, Mantu K

2015-02-04

Broken-gap InAs/GaSb strain balanced multilayer structures were grown by molecular beam epitaxy (MBE), and their structural, morphological, and band alignment properties were analyzed. Precise shutter sequence during the MBE growth process, enable to achieve the strain balanced structure. Cross-sectional transmission electron microscopy exhibited sharp heterointerfaces, and the lattice line extended from the top GaSb layer to the bottom InAs layer. X-ray analysis further confirmed a strain balanced InAs/GaSb multilayer structure. A smooth surface morphology with surface roughness of ∼0.5 nm was demonstrated. The effective barrier height -0.15 eV at the GaSb/InAs heterointerface was determined by X-ray photoelectron spectroscopy, and it was further corroborated by simulation. These results are important to demonstrate desirable characteristics of mixed As/Sb material systems for high-performance and low-power tunnel field-effect transistor applications.

The ground state tunneling splitting and the zero point energy of malonaldehyde: a quantum Monte Carlo determination.

PubMed

Viel, Alexandra; Coutinho-Neto, Maurício D; Manthe, Uwe

2007-01-14

Quantum dynamics calculations of the ground state tunneling splitting and of the zero point energy of malonaldehyde on the full dimensional potential energy surface proposed by Yagi et al. [J. Chem. Phys. 1154, 10647 (2001)] are reported. The exact diffusion Monte Carlo and the projection operator imaginary time spectral evolution methods are used to compute accurate benchmark results for this 21-dimensional ab initio potential energy surface. A tunneling splitting of 25.7+/-0.3 cm-1 is obtained, and the vibrational ground state energy is found to be 15 122+/-4 cm-1. Isotopic substitution of the tunneling hydrogen modifies the tunneling splitting down to 3.21+/-0.09 cm-1 and the vibrational ground state energy to 14 385+/-2 cm-1. The computed tunneling splittings are slightly higher than the experimental values as expected from the potential energy surface which slightly underestimates the barrier height, and they are slightly lower than the results from the instanton theory obtained using the same potential energy surface.

Oscillations in MOS tunneling

NASA Technical Reports Server (NTRS)

Lewicki, G.; Maserjian, J.

1975-01-01

Oscillatory deviations from Fowler-Nordheim tunneling currents were measured in MOS capacitors with oxide thicknesses ranging from 30 to 75 A. The observed variation of oscillation phases and amplitudes with oxide thickness indicates that the Si-SiO2 interface is independent of oxide thickness only for thicknesses greater than 65 A. At lower thicknesses, the barrier height at the interface decreases gradually with oxide thickness at a rate on the order of 10 mV/A. At higher thicknesses, the barrier height is 4.08 eV. The energy dispersion relation with the SiO2 conduction band is parabolic. The mean free path within the SiO2 conduction band is on the order of 13 A.

Controlling Heterogeneous Catalysis of Water Dissociation Using Cu-Ni Bimetallic Alloy Surfaces: A Quantum Dynamics Study.

PubMed

Ray, Dhiman; Ghosh, Smita; Tiwari, Ashwani Kumar

2018-06-07

Copper-Nickel bimetallic alloys are emerging heterogeneous catalysts for water dissociation which is the rate determining step of industrially important Water Gas Shift (WGS) reaction. Yet, the detailed quantum dynamics studies of water-surface scattering in literature are limited to pure metal surfaces. We present here, a three dimensional wave-packet dynamics study of water dissociation on Cu-Ni alloy surfaces, using a pseudo diatomic model of water on a London-Eyring-Polanyi-Sato (LEPS) potential energy surface in order to study the effect of initial vibration, rotation and orientation of water molecule on reactivity. For all the chosen surfaces reactivity increases significantly with vibrational excitation. In general, for lower vibrational states the reactivity increases with increasing rotational excitation but it decreases in higher vibrational states. Molecular orientation strongly affects reactivity by helping the molecule to align along the reaction path at higher vibrational states. For different alloys, the reaction probability follows the trend of barrier heights and the surfaces having all Ni atoms in the uppermost layer are much more reactive than the ones with Cu atoms. Hence the nature of the alloy surface and initial quantum state of the incoming molecule significantly influence the reactivity in surface catalyzed water dissociation.

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.

Energy of the Isolated Metastable Iron-Nickel FCC Nanocluster with a Carbon Atom in the Tetragonal Interstice.

PubMed

Bondarenko, Natalya V; Nedolya, Anatoliy V

2017-12-01

The energy of the isolated iron-nickel nanocluster was calculated by molecular mechanics method using Lennard-Jones potential. The cluster included a carbon atom that drifted from an inside octahedral interstice to a tetrahedral interstice in [Formula: see text] direction and after that in <222> direction to the surface. In addition, one of 14 iron atoms was replaced by a nickel atom, the position of which was changing during simulation.The energy of the nanocluster was estimated at the different interatomic distances. As a result of simulation, the optimal interatomic distances of Fe-Ni-C nanocluster was chosen for the simulation, in which height of the potential barrier was maximal and face-centered cubic (FCC) nanocluster was the most stable.It is shown that there were three main positions of a nickel atom that significantly affected nanocluster's energy.The calculation results indicated that position of the carbon atom in the octahedral interstice was more energetically favorable than tetrahedral interstice in the case of FCC nanocluster. On the other side, the potential barrier was smaller in the direction [Formula: see text] than in the direction <022>.This indicates that there are two ways for carbon atom to drift to the surface of the nanocluster.

The effectiveness of platform screen doors for the prevention of subway suicides in South Korea.

PubMed

Chung, Yong Woon; Kang, Sung Jin; Matsubayashi, Tetsuya; Sawada, Yasuyuki; Ueda, Michiko

2016-04-01

Subway suicide can significantly impact the general public. Platform Screen Doors (PSDs) are considered to be an effective strategy to prevent suicides at subway stations, but the evidence on their effectiveness is limited. We assessed the effectiveness of installing half- and full-height platform screen doors in reducing subway suicides using Poisson regression analysis. Ten-year monthly panel data for 121 subway stations between 2003 and 2012 in the Seoul metropolitan area were used for the analysis. We found that installing PSDs decreases fatal suicide cases by 89% (95% CI: 57-97%). We also found that the installation of full-height PSDs resulted in the elimination of subway suicides by completely blocking access to the track area; however, half-height PSDs, which do not extend to the ceiling of the platform, were not as effective as full-height ones. Our findings were based on the data from a single subway operator for a limited period of time. Accordingly, we did not consider the possibility that some passengers choose to die at a station run by other operators. Our study did not examine the potential substitution effects of other suicide methods. Installing physical barriers at subway stations can be an effective strategy to reduce the number of subway suicides; however, half-height PSDs are not as effective as full-height ones, even when they are as high as the height of an adult. Thus, these barriers should be made high enough so that nobody can climb over them. Copyright © 2016 Elsevier B.V. All rights reserved.

Energy barriers, entropy barriers, and non-Arrhenius behavior in a minimal glassy model.

PubMed

Du, Xin; Weeks, Eric R

2016-06-01

We study glassy dynamics using a simulation of three soft Brownian particles confined to a two-dimensional circular region. If the circular region is large, the disks freely rearrange, but rearrangements are rarer for smaller system sizes. We directly measure a one-dimensional free-energy landscape characterizing the dynamics. This landscape has two local minima corresponding to the two distinct disk configurations, separated by a free-energy barrier that governs the rearrangement rate. We study several different interaction potentials and demonstrate that the free-energy barrier is composed of a potential-energy barrier and an entropic barrier. The heights of both of these barriers depend on temperature and system size, demonstrating how non-Arrhenius behavior can arise close to the glass transition.

On the reduction of splash-back

NASA Astrophysics Data System (ADS)

Dickerson, Andrew; Stephen, Jeremy

2017-11-01

The reduction of splash height following the impact of a solid body on a liquid surface is relevant to multiple sectors including military missile entry, industrial processing, and visits to public restrooms. While most studies have viewed splashes in the context of control of impactor shape and surface properties, we here consider the effects of splash height following modification of a liquid surface by surfactants and thin fabrics. Smooth, hydrophilic, free-falling spheres are allowed to impact a quiescent liquid surface of modified surface conditions while filmed with a high-speed camera. We measure splash heights and cavity depths formed by impacting spheres across Froude numbers 3 - 6.5. As expected, lowering the surface tension of the liquid increased splash height with respect to pure water. The introduction of fabric to the surface has an more unpredictable effect. With respect to unaltered impact conditions, ample inclusion of fabric on the surface reduces splash height, while a meager amount of fabric amplifies splashing due to the augmentation of cavity formation preceding a Worthington jet.

New figuring model based on surface slope profile for grazing-incidence reflective optics

DOE PAGES

Zhou, Lin; Huang, Lei; Bouet, Nathalie; ...

2016-08-09

Surface slope profile is widely used in the metrology of grazing-incidence reflective optics instead of surface height profile. Nevertheless, the theoretical and experimental model currently used in deterministic optical figuring processes is based on surface height, not on surface slope. This means that the raw slope profile data from metrology need to be converted to height profile to perform the current height-based figuring processes. The inevitable measurement noise in the raw slope data will introduce significant cumulative error in the resultant height profiles. As a consequence, this conversion will degrade the determinism of the figuring processes, and will have anmore » impact on the ultimate surface figuring results. To overcome this problem, an innovative figuring model is proposed, which directly uses the raw slope profile data instead of the usual height data as input for the deterministic process. In this article, first the influence of the measurement noise on the resultant height profile is analyzed, and then a new model is presented; finally a demonstration experiment is carried out using a one-dimensional ion beam figuring process to demonstrate the validity of our approach.« less

The mean sea surface height and geoid along the Geosat subtrack from Bermuda to Cape Cod

NASA Astrophysics Data System (ADS)

Kelly, Kathryn A.; Joyce, Terrence M.; Schubert, David M.; Caruso, Michael J.

1991-07-01

Measurements of near-surface velocity and concurrent sea level along an ascending Geosat subtrack were used to estimate the mean sea surface height and the Earth's gravitational geoid. Velocity measurements were made on three traverses of a Geosat subtrack within 10 days, using an acoustic Doppler current profiler (ADCP). A small bias in the ADCP velocity was removed by considering a mass balance for two pairs of triangles for which expendable bathythermograph measurements were also made. Because of the large curvature of the Gulf Stream, the gradient wind balance was used to estimate the cross-track component of geostrophic velocity from the ADCP vectors; this component was then integrated to obtain the sea surface height profile. The mean sea surface height was estimated as the difference between the instantaneous sea surface height from ADCP and the Geosat residual sea level, with mesoscale errors reduced by low-pass filtering. The error estimates were divided into a bias, tilt, and mesoscale residual; the bias was ignored because profiles were only determined within a constant of integration. The calculated mean sea surface height estimate agreed with an independent estimate of the mean sea surface height from Geosat, obtained by modeling the Gulf Stream as a Gaussian jet, within the expected errors in the estimates: the tilt error was 0.10 m, and the mesoscale error was 0.044 m. To minimize mesoscale errors in the estimate, the alongtrack geoid estimate was computed as the difference between the mean sea level from the Geosat Exact Repeat Mission and an estimate of the mean sea surface height, rather than as the difference between instantaneous profiles of sea level and sea surface height. In the critical region near the Gulf Stream the estimated error reduction using this method was about 0.07 m. Differences between the geoid estimate and a gravimetric geoid were not within the expected errors: the rms mesoscale difference was 0.24 m rms.

Electronic Characterization of Au/DNA/ITO Metal-Semiconductor-Metal Diode and Its Application as a Radiation Sensor.

PubMed

Al-Ta'ii, Hassan Maktuff Jaber; Periasamy, Vengadesh; Amin, Yusoff Mohd

2016-01-01

Deoxyribonucleic acid or DNA molecules expressed as double-stranded (DSS) negatively charged polymer plays a significant role in electronic states of metal/silicon semiconductor structures. Electrical parameters of an Au/DNA/ITO device prepared using self-assembly method was studied by using current-voltage (I-V) characteristic measurements under alpha bombardment at room temperature. The results were analyzed using conventional thermionic emission model, Cheung and Cheung's method and Norde's technique to estimate the barrier height, ideality factor, series resistance and Richardson constant of the Au/DNA/ITO structure. Besides demonstrating a strongly rectifying (diode) characteristic, it was also observed that orderly fluctuations occur in various electrical parameters of the Schottky structure. Increasing alpha radiation effectively influences the series resistance, while the barrier height, ideality factor and interface state density parameters respond linearly. Barrier height determined from I-V measurements were calculated at 0.7284 eV for non-radiated, increasing to about 0.7883 eV in 0.036 Gy showing an increase for all doses. We also demonstrate the hypersensitivity phenomena effect by studying the relationship between the series resistance for the three methods, the ideality factor and low-dose radiation. Based on the results, sensitive alpha particle detectors can be realized using Au/DNA/ITO Schottky junction sensor.

Investigation of the CH{sub 3}Cl + CN{sup −} reaction in water: Multilevel quantum mechanics/molecular mechanics study

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

Xu, Yulong; College of Physics and Electronics, Shandong Normal University, Jinan 250014; Zhang, Jingxue

2015-06-28

The CH{sub 3}Cl + CN{sup −} reaction in water was studied using a multilevel quantum mechanics/molecular mechanics (MM) method with the multilevels, electrostatic potential, density functional theory (DFT) and coupled-cluster single double triple (CCSD(T)), for the solute region. The detailed, back-side attack S{sub N}2 reaction mechanism was mapped along the reaction pathway. The potentials of mean force were calculated under both the DFT and CCSD(T) levels for the reaction region. The CCSD(T)/MM level of theory presents a free energy activation barrier height at 20.3 kcal/mol, which agrees very well with the experiment value at 21.6 kcal/mol. The results show thatmore » the aqueous solution has a dominant role in shaping the potential of mean force. The solvation effect and the polarization effect together increase the activation barrier height by ∼11.4 kcal/mol: the solvation effect plays a major role by providing about 75% of the contribution, while polarization effect only contributes 25% to the activation barrier height. Our calculated potential of mean force under the CCSD(T)/MM also has a good agreement with the one estimated using data from previous gas-phase studies.« less

Electronic Characterization of Au/DNA/ITO Metal-Semiconductor-Metal Diode and Its Application as a Radiation Sensor

PubMed Central

Al-Ta’ii, Hassan Maktuff Jaber; Periasamy, Vengadesh; Amin, Yusoff Mohd

2016-01-01

Deoxyribonucleic acid or DNA molecules expressed as double-stranded (DSS) negatively charged polymer plays a significant role in electronic states of metal/silicon semiconductor structures. Electrical parameters of an Au/DNA/ITO device prepared using self-assembly method was studied by using current–voltage (I-V) characteristic measurements under alpha bombardment at room temperature. The results were analyzed using conventional thermionic emission model, Cheung and Cheung’s method and Norde’s technique to estimate the barrier height, ideality factor, series resistance and Richardson constant of the Au/DNA/ITO structure. Besides demonstrating a strongly rectifying (diode) characteristic, it was also observed that orderly fluctuations occur in various electrical parameters of the Schottky structure. Increasing alpha radiation effectively influences the series resistance, while the barrier height, ideality factor and interface state density parameters respond linearly. Barrier height determined from I–V measurements were calculated at 0.7284 eV for non-radiated, increasing to about 0.7883 eV in 0.036 Gy showing an increase for all doses. We also demonstrate the hypersensitivity phenomena effect by studying the relationship between the series resistance for the three methods, the ideality factor and low-dose radiation. Based on the results, sensitive alpha particle detectors can be realized using Au/DNA/ITO Schottky junction sensor. PMID:26799703

Forward Current Transport Mechanisms of Ni/Au—InAlN/AlN/GaN Schottky Diodes

NASA Astrophysics Data System (ADS)

Wang, Xiao-Feng; Shao, Zhen-Guang; Chen, Dun-Jun; Lu, Hai; Zhang, Rong; Zheng, You-Dou

2014-05-01

We fabricate two Ni/Au-In0.17Al0.83N/AlN/GaN Schottky diodes on substrates of sapphire and Si, respectively, and investigate their forward-bias current transport mechanisms by temperature-dependent current-voltage measurements. In the temperature range of 300-485 K, the Schottky barrier heights (SBHs) calculated by using the conventional thermionic-emission (TE) model are strongly positively dependent on temperature, which is in contrast to the negative-temperature-dependent characteristic of traditional semiconductor Schottky diodes. By fitting the forward-bias I-V characteristics using different current transport models, we find that the tunneling current model can describe generally the I-V behaviors in the entire measured range of temperature. Under the high forward bias, the traditional TE mechanism also gives a good fit to the measured I-V data, and the actual barrier heights calculated according to the fitting TE curve are 1.434 and 1.413 eV at 300K for InAlN/AlN/GaN Schottky diodes on Si and the sapphire substrate, respectively, and the barrier height shows a slightly negative temperature coefficient. In addition, a formula is given to estimate SBHs of Ni/Au—InAlN/AlN/GaN Schottky diodes taking the Fermi-level pinning effect into account.

Methodology for calculating the volume of condensate droplets on topographically modified, microgrooved surfaces.

PubMed

Sommers, A D

2011-05-03

Liquid droplets on micropatterned surfaces consisting of parallel grooves tens of micrometers in width and depth are considered, and a method for calculating the droplet volume on these surfaces is presented. This model, which utilizes the elongated and parallel-sided nature of droplets condensed on these microgrooved surfaces, requires inputs from two droplet images at ϕ = 0° and ϕ = 90°--namely, the droplet major axis, minor axis, height, and two contact angles. In this method, a circular cross-sectional area is extruded the length of the droplet where the chord of the extruded circle is fixed by the width of the droplet. The maximum apparent contact angle is assumed to occur along the side of the droplet because of the surface energy barrier to wetting imposed by the grooves--a behavior that was observed experimentally. When applied to water droplets condensed onto a microgrooved aluminum surface, this method was shown to calculate the actual droplet volume to within 10% for 88% of the droplets analyzed. This method is useful for estimating the volume of retained droplets on topographically modified, anisotropic surfaces where both heat and mass transfer occur and the surface microchannels are aligned parallel to gravity to assist in condensate drainage.

Dietary l-threonine supplementation attenuates lipopolysaccharide-induced inflammatory responses and intestinal barrier damage of broiler chickens at an early age.

PubMed

Chen, Yueping; Zhang, Hao; Cheng, Yefei; Li, Yue; Wen, Chao; Zhou, Yanmin

2018-06-01

This study was conducted to investigate the protective effects of l-threonine (l-Thr) supplementation on growth performance, inflammatory responses and intestinal barrier function of young broilers challenged with lipopolysaccharide (LPS). A total of 144 1-d-old male chicks were allocated to one of three treatments: non-challenged broilers fed a basal diet (control group), LPS-challenged broilers fed a basal diet without l-Thr supplementation and LPS-challenged broilers fed a basal diet supplemented with 3·0 g/kg l-Thr. LPS challenge was performed intraperitoneally at 17, 19 and 21 d of age, whereas the control group received physiological saline injection. Compared with the control group, LPS challenge impaired growth performance of broilers, and l-Thr administration reversed LPS-induced increase in feed/gain ratio. LPS challenge elevated blood cell counts related to inflammation, and pro-inflammatory cytokine concentrations in serum (IL-1β and TNF-α), spleen (IL-1β and TNF-α) and intestinal mucosa (jejunal interferon-γ (IFN-γ) and ileal IL-1β). The concentrations of intestinal cytokines in LPS-challenged broilers were reduced by l-Thr supplementation. LPS administration increased circulating d-lactic acid concentration, whereas it reduced villus height, the ratio between villus height and crypt depth and goblet density in both jejunum and ileum. LPS-induced decreases in jejunal villus height, intestinal villus height:crypt depth ratio and ileal goblet cell density were reversed with l-Thr supplementation. Similarly, LPS-induced alterations in the intestinal mRNA abundances of genes related to intestinal inflammation and barrier function (jejunal toll-like receptor 4, IFN- γ and claudin-3, and ileal IL-1 β and zonula occludens-1) were normalised with l-Thr administration. It can be concluded that l-Thr supplementation could attenuate LPS-induced inflammatory responses and intestinal barrier damage of young broilers.

Electrical parameters of Au/n-GaN and Pt/n-GaN Schottky diodes

NASA Astrophysics Data System (ADS)

Kadaoui, Mustapha Amine; Bouiadjra, Wadi Bachir; Saidane, Abdelkader; Belahsene, Sofiane; Ramdane, Abderrahim

2015-06-01

Electrical properties of Si-doped GaN epitaxial layers, grown on a c-plane sapphire substrate by MOCVD to form Schottky diodes with Gold (Au) and platinum (Pt) and using Ti/Al/Au as Ohmic contact, are investigated. Characterization was performed through I-V and C-V-f measurements at room temperature. Schottky barrier height (Φb), ideality factor (n), and series resistance (Rs) were extracted from forward I-V characteriztics using Cheung and Lien methods. Φb, doping concentration (Nd) and Rs frequency dependence were extracted from C-V-f characteriztics. Pt/n-GaN shows a non-linear behavior with a barrier height of 0.63 eV, an ideality factor of 2.3, and series resistance of 63 Ω. Au/n-GaN behaves like two diodes in parallel with two barrier heights of (0.83 and 0.9 eV), two ideality factors of (5.8 and 3.18) and two series resistance of (10.6 and 68 Ω). Interface state properties in both samples have been investigated taking into account the bias dependence of the effective barrier height. The amount of stimulated traps along the energy-gap at the interface increases with voltage bias, which increases NSS exponentially from 4.24 ṡ 1013 to 3.67 ṡ 1014 eV-1 cm-2 in the range (Ec - 0.17) to (Ec - 0.61) eV for Pt/n-GaN, and from 2.3 ṡ 1013 to 1.14 ṡ 1014 eV-1 cm-2, in the range (Ec - 0.31) to (Ec - 0.82) eV for Au/n-GaN. The values of interface states density and series resistance for both samples are found to decrease with increasing frequency. Peak intensity was a measure of active interface states. C-V-f results confirm the model of the Schottky diode with a native interfacial insulator layer along the space charge region.

How Accurate Are the Minnesota Density Functionals for Noncovalent Interactions, Isomerization Energies, Thermochemistry, and Barrier Heights Involving Molecules Composed of Main-Group Elements?

DOE PAGES

Mardirossian, Narbe; Head-Gordon, Martin

2016-08-18

The 14 Minnesota density functionals published between the years 2005 and early 2016 are benchmarked on a comprehensive database of 4986 data points (84 data sets) involving molecules composed of main-group elements. The database includes noncovalent interactions, isomerization energies, thermochemistry, and barrier heights, as well as equilibrium bond lengths and equilibrium binding energies of noncovalent dimers. Additionally, the sensitivity of the Minnesota density functionals to the choice of basis set and integration grid is explored for both noncovalent interactions and thermochemistry. By and large, the main strength of the hybrid Minnesota density functionals is that the best ones provide verymore » good performance for thermochemistry (e.g., M06-2X), barrier heights (e.g., M08-HX, M08-SO, MN15), and systems heavily characterized by self-interaction error (e.g., M06-2X, M08-HX, M08-SO, MN15), while the main weakness is that none of them are state-of-the-art for the full spectrum of noncovalent interactions and isomerization energies (although M06-2X is recommended from the 10 hybrid Minnesota functionals). Similarly, the main strength of the local Minnesota density functionals is that the best ones provide very good performance for thermochemistry (e.g., MN15-L), barrier heights (e.g., MN12-L), and systems heavily characterized by self-interaction error (e.g., MN12-L and MN15-L), while the main weakness is that none of them are state-of-the-art for the full spectrum of noncovalent interactions and isomerization energies (although M06-L is clearly the best from the four local Minnesota functionals). Finally, as an overall guide, M06-2X and MN15 are perhaps the most broadly useful hybrid Minnesota functionals, while M06-L and MN15-L are perhaps the most broadly useful local Minnesota functionals, although each has different strengths and weaknesses.« less

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.

FIBER AND INTEGRATED OPTICS: Problems involved in the profiling of quantum wells and barriers for optoelectronic applications

NASA Astrophysics Data System (ADS)

Eliseev, P. G.; Zakhar'ev, B. N.

1992-10-01

Some important problems concerning the profiling of the potential energy in quantum-well lasers are discussed. The goals being sought are to introduce a relative shift of the levels of localized states, to introduce an energy gap, and to reduce the transmission of barriers without increasing their height.

Transition path time distribution and the transition path free energy barrier.

PubMed

Pollak, Eli

2016-10-19

The recent experimental measurement of the transition path time distributions of proteins presents several challenges to theory. Firstly, why do the fits of the experimental data to a theoretical expression lead to barrier heights which are much lower than the free energies of activation of the observed transitions? Secondly, there is the theoretical question of determining the transition path time distribution, without invoking the Smoluchowski limit. In this paper, we derive an exact expression for a transition path time distribution which is valid for arbitrary memory friction using the normal mode transformation which underlies Kramers' rate theory. We then recall that for low barriers, there is a noticeable difference between the transition path time distribution obtained with absorbing boundary conditions and free boundary conditions. For the former, the transition times are shorter, since recrossings of the boundaries are disallowed. As a result, if one uses the distribution based on absorbing boundary conditions to fit the experimental data, one will find that the transition path barrier will be larger than the values found based on a theory with free boundary conditions. We then introduce the paradigm of a transition path barrier height, and show that one should always expect it to be much smaller than the activation energy.

Potential variation around grain boundaries in BaSi{sub 2} films grown on multicrystalline silicon evaluated using Kelvin probe force microscopy

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

Baba, Masakazu; Tsukahara, Daichi; Toko, Kaoru

2014-12-21

Potential variations across the grain boundaries (GBs) in a 100 nm thick undoped n-BaSi{sub 2} film on a cast-grown multicrystalline Si (mc-Si) substrate are evaluated using Kelvin probe force microscopy (KFM). The θ-2θ X-ray diffraction pattern reveals diffraction peaks, such as (201), (301), (410), and (411) of BaSi{sub 2}. Local-area electron backscatter diffraction reveals that the a-axis of BaSi{sub 2} is tilted slightly from the surface normal, depending on the local crystal plane of the mc-Si. KFM measurements show that the potentials are not significantly disordered in the grown BaSi{sub 2}, even around the GBs of mc-Si. The potentials are highermore » at GBs of BaSi{sub 2} around Si GBs that are formed by grains with a Si(111) face and those with faces that deviate slightly from Si(111). Thus, downward band bending occurs at these BaSi{sub 2} GBs. Minority carriers (holes) undergo a repelling force near the GBs, which may suppress recombination as in the case of undoped n-BaSi{sub 2} epitaxial films on a single crystal Si(111) substrate. The barrier height for hole transport across the GBs varies in the range from 10 to 55 meV. The potentials are also higher at the BaSi{sub 2} GBs grown around Si GBs composed of grains with Si(001) and Si(111) faces. The barrier height for hole transport ranges from 5 to 55 meV. These results indicate that BaSi{sub 2} GBs formed on (111)-dominant Si surfaces do not have a negative influence on the minority-carrier properties, and thus BaSi{sub 2} formed on underlayers, such as (111)-oriented Si or Ge and on (111)-oriented mc-Si, can be utilized as a solar cell active layer.« less

An atlas of monthly mean distributions of SSMI surface wind speed, AVHRR/2 sea surface temperature, AMI surface wind velocity, TOPEX/POSEIDON sea surface height, and ECMWF surface wind velocity during 1993

NASA Technical Reports Server (NTRS)

Halpern, D.; Fu, L.; Knauss, W.; Pihos, G.; Brown, O.; Freilich, M.; Wentz, F.

1995-01-01

The following monthly mean global distributions for 1993 are presented with a common color scale and geographical map: 10-m height wind speed estimated from the Special Sensor Microwave Imager (SSMI) on a United States (U.S.) Air Force Defense Meteorological Satellite Program (DMSP) spacecraft; sea surface temperature estimated from the Advanced Very High Resolution Radiometer (AVHRR/2) on a U.S. National Oceanic and Atmospheric Administration (NOAA) satellite; 10-m height wind speed and direction estimated from the Active Microwave Instrument (AMI) on the European Space Agency (ESA) European Remote Sensing (ERS-1) satellite; sea surface height estimated from the joint U.S.-France Topography Experiment (TOPEX)/POSEIDON spacecraft; and 10-m height wind speed and direction produced by the European Center for Medium-Range Weather Forecasting (ECMWF). Charts of annual mean, monthly mean, and sampling distributions are displayed.

Effect of Surface Roughness on Characteristics of Spherical Shock Waves

NASA Technical Reports Server (NTRS)

Huber, Paul W.; McFarland, Donald R.

1959-01-01

Measurements of peak overpressure and Mach stem height were made at four burst heights. Data were obtained with instrumentation capable of directly observing the variation of shock wave movement with time. Good similarity of free air shock peak overpressure with larger scale data was found to exist. The net effect of surface roughness on shock peak overpressures slightly. Surface roughness delayed the Mach stem formation at the greatest charge height and lowered the growth at all burst heights. A similarity parameter was found which approximately correlates the triple point path at different burst heights.

Reflections on a Bouncing Ball

ERIC Educational Resources Information Center

Rohr, Jim; Lopez, Veronica; Rohr, Tyler

2014-01-01

While observing the bounce heights of various kinds of sports balls dropped from different heights onto a variety of surfaces, we thought of the following question: Could measurements of drop and bounce heights of balls of different diameters, but of the same material, falling from different heights, but on the same surface, be expressed by a…

Brain structure mediates the association between height and cognitive ability.

PubMed

Vuoksimaa, Eero; Panizzon, Matthew S; Franz, Carol E; Fennema-Notestine, Christine; Hagler, Donald J; Lyons, Michael J; Dale, Anders M; Kremen, William S

2018-05-11

Height and general cognitive ability are positively associated, but the underlying mechanisms of this relationship are not well understood. Both height and general cognitive ability are positively associated with brain size. Still, the neural substrate of the height-cognitive ability association is unclear. We used a sample of 515 middle-aged male twins with structural magnetic resonance imaging data to investigate whether the association between height and cognitive ability is mediated by cortical size. In addition to cortical volume, we used genetically, ontogenetically and phylogenetically distinct cortical metrics of total cortical surface area and mean cortical thickness. Height was positively associated with general cognitive ability and total cortical volume and cortical surface area, but not with mean cortical thickness. Mediation models indicated that the well-replicated height-general cognitive ability association is accounted for by individual differences in total cortical volume and cortical surface area (highly heritable metrics related to global brain size), and that the genetic association between cortical surface area and general cognitive ability underlies the phenotypic height-general cognitive ability relationship.

Double proton transfer behavior and one-electron oxidation effect in double H-bonded glycinamide-formic acid complex.

PubMed

Li, Ping; Bu, Yuxiang

2004-11-22

The behavior of double proton transfer occurring in a representative glycinamide-formic acid complex has been investigated at the B3LYP/6-311 + + G( * *) level of theory. Thermodynamic and, especially, kinetic parameters, such as tautomeric energy, equilibrium constant, and barrier heights have been discussed, respectively. The relevant quantities involved in the double proton transfer process, such as geometrical changes, interaction energies, and intrinsic reaction coordinate calculations have also been studied. Computational results show that the participation of a formic acid molecule favors the proceeding of the proton transfer for glycinamide compared with that without mediate-assisted case. The double proton transfer process proceeds with a concerted mechanism rather than a stepwise one since no ion-pair complexes have been located during the proton transfer process. The calculated barrier heights are 11.48 and 0.85 kcal/mol for the forward and reverse directions, respectively. However, both of them have been reduced by 2.95 and 2.61 kcal/mol to 8.53 and -1.76 kcal/mol if further inclusion of zero-point vibrational energy corrections, where the negative barrier height implies that the reverse reaction should proceed with barrierless spontaneously, analogous to that occurring between glycinamide and formamide. Furthermore, solvent effects on the thermodynamic and kinetic processes have also been predicted qualitatively employing the isodensity surface polarized continuum model within the framework of the self-consistent reaction field theory. Additionally, the oxidation process for the double H-bonded glycinamide-formic acid complex has also been investigated. Contrary to that neutral form possessing a pair of two parallel intermolecular H bonds, only a single H bond with a comparable strength has been found in its ionized form. The vertical and adiabatic ionization potentials for the neutral complex have been determined to be about 9.40 and 8.69 eV, respectively, where ionization is mainly localized on the glycinamide fragment. Like that ionized glycinamide-formamide complex, the proton transfer in the ionized complex is characterized by a single-well potential, implying that the proton initially attached to amide N4 in the glycinamide fragment cannot be transferred to carbonyl O13 in the formic acid fragment at the geometry of the optimized complex. Copyright 2004 American Institute of Physics.

Height Control and Deposition Measurement for the Electron Beam Free Form Fabrication (EBF3) Process

NASA Technical Reports Server (NTRS)

Hafley, Robert A. (Inventor); Seufzer, William J. (Inventor)

2017-01-01

A method of controlling a height of an electron beam gun and wire feeder during an electron freeform fabrication process includes utilizing a camera to generate an image of the molten pool of material. The image generated by the camera is utilized to determine a measured height of the electron beam gun relative to the surface of the molten pool. The method further includes ensuring that the measured height is within the range of acceptable heights of the electron beam gun relative to the surface of the molten pool. The present invention also provides for measuring a height of a solid metal deposit formed upon cooling of a molten pool. The height of a single point can be measured, or a plurality of points can be measured to provide 2D or 3D surface height measurements.

On the temperature dependent current transport mechanisms and barrier inhomogeneity in Au/SnO2-PVA/n-Si Schottky barrier diodes

NASA Astrophysics Data System (ADS)

Bilkan, Ç.; Badali, Y.; Fotouhi-Shablou, S.; Azizian-Kalandaragh, Y.; Altındal, Ş.

2017-08-01

In this paper, we report the preparation and characterization of SnO2-PVA nanocomposite film as interlayer for Schottky barrier diodes (SBDs). The possible current transport mechanisms (CTMs) of the prepared SBDs were investigated using the forward-bias current-voltage ( I- V) characteristics in the temperature range of 80-400 K. The structure of nanocomposite film was characterized by an X-ray diffractometer (XRD) and the surface morphology was investigated using a Scanning Electron Microscopy (SEM) at room temperature. The values of ideality factor ( n) and zero-bias barrier height (\\overline{Φ}_{Bo}) showed variation with temperature, such that they changed from 19.10 to 3.77 and 0.190 to 0.844 eV, respectively. \\overline{Φ}_{Bo}- n, \\overline{Φ}_{Bo}- q/2 kT, and n -1- q/2 kT plots were drawn to get evidence to the Gaussian Distribution (GD) of the barrier height (BH). These plots revealed two distinct linear regions with different slopes for low temperatures (80-160 K) (LTs) and high temperatures (180-400 K) (HTs). This behavior is an evidence to the existence double GD of BHs which provides an average value for BH (\\overline{Φ}_{Bo}) and a standard deviation (σs) for each region. The high value of n especially at low temperatures was attributed to the existence of interlayer: interface states ( N ss) and barrier inhomogeneity at Au/n-Si interface. The values of \\overline{Φ}_{Bo} and σs were obtained from the intercept and slope of mentioned plots as 0.588 and 0.0768 V for LTs and 1.183 eV and 0.158 V for HTs, respectively. Moreover, the modified ln( I s/ T 2)- q 2σ s 2 /2 k 2 T 2 vs q/ kT plot also showed two linear regions. The values of \\overline{Φ}_{Bo} and effective Richardson constant ( A *) were extracted from the slope and intercept of this plot as 0.610 eV and 93.13 A/cm2 K2 for LTs and 1.235 eV and 114.65 A/cm2 K2 for HTs, respectively. The value of A* for HTs is very close to the theoretical value (112 A/cm2 K2) of n-type Si. Thus, the forward-bias I- V- T characteristics of Au/SnO2-PVA/n-Si (SBDs) were successfully explained in terms of the thermionic-emission (TE) mechanism with a double GD of BHs.

Enhancing the effective energy barrier of a Dy(III) SMM using a bridged diamagnetic Zn(II) ion.

PubMed

Upadhyay, Apoorva; Singh, Saurabh Kumar; Das, Chinmoy; Mondol, Ranajit; Langley, Stuart K; Murray, Keith S; Rajaraman, Gopalan; Shanmugam, Maheswaran

2014-08-18

Field induced single-molecule-magnet behaviour is observed for both a heterodinuclear [ZnDy(L(-))2](3+) complex (1) and a mononuclear [Dy(HL)2](3+) complex (2), with effective energy barriers of 83 cm(-1) and 16 cm(-1), respectively. Insights into the relaxation mechanism(s) and barrier heights are provided via ab initio and DFT calculations. Our findings reveal an interesting observation that the U(eff) of SMMs can be enhanced by incorporating diamagnetic metal ions.

Fusion cross sections for reactions involving medium and heavy nucleus-nucleus systems

NASA Astrophysics Data System (ADS)

Atta, Debasis; Basu, D. N.

2014-12-01

Existing data on near-barrier fusion excitation functions of medium and heavy nucleus-nucleus systems have been analyzed by using a simple diffused-barrier formula derived assuming the Gaussian shape of the barrier-height distributions. The fusion cross section is obtained by folding the Gaussian barrier distribution with the classical expression for the fusion cross section for a fixed barrier. The energy dependence of the fusion cross section, thus obtained, provides good description to the existing data on near-barrier fusion and capture excitation functions for medium and heavy nucleus-nucleus systems. The theoretical values for the parameters of the barrier distribution are estimated which can be used for fusion or capture cross-section predictions that are especially important for planning experiments for synthesizing new superheavy elements.

Ram-air sample collection device for a chemical warfare agent sensor

DOEpatents

Megerle, Clifford A.; Adkins, Douglas R.; Frye-Mason, Gregory C.

2002-01-01

In a surface acoustic wave sensor mounted within a body, the sensor having a surface acoustic wave array detector and a micro-fabricated sample preconcentrator exposed on a surface of the body, an apparatus for collecting air for the sensor, comprising a housing operatively arranged to mount atop the body, the housing including a multi-stage channel having an inlet and an outlet, the channel having a first stage having a first height and width proximate the inlet, a second stage having a second lower height and width proximate the micro-fabricated sample preconcentrator, a third stage having a still lower third height and width proximate the surface acoustic wave array detector, and a fourth stage having a fourth height and width proximate the outlet, where the fourth height and width are substantially the same as the first height and width.

The 1,2-hydrogen shift reaction for monohalogenophosphanes PH2X and HPX (X = F, Cl)

NASA Astrophysics Data System (ADS)

Viana, Rommel B.; Varela, Jaldyr J. G., Jr.; Tello, Ana C. M.; Savedra, Ranylson M. L.; da Silva, Albérico B. F.

2016-10-01

The aim of the present study was to perform a quantum chemical investigation in the 1,2-hydrogen shift reaction for the PH2X and HPX molecules (X = F,Cl). Several phosphorus-halogen-bearing molecules were studied, including PH2F, PH2Cl, HPF, HPCl, HPFH, HPClH, PFH and PClH. The energies of stationary and saddle points on the ground electronic potential energy surface were investigated with post-Hartree-Fock methods [CCSD(T), MP2, QCISD] and different DFT functionals. The PH2F 1,2-hydrogen shift energy barrier was 75 kcal mol-1 at the CCSD(T) level and only a small increase in this value was observed for the HPF isomerisation. In contrast, the HPCl 1,2-hydrogen shift barrier is higher than the PH2Cl one, which presented a barrier height of 69 kcal mol-1 among CCSD(T) and composite methods. The rate constants of these unimolecular rearrangements varied from 10-44 to 10-38 s-1, and these isomerisation channels exhibited large half-lives. In addition, the heat of formation of each monohalogenophosphane was also calculated. The Quantum Theory of Atoms in Molecules (QTAIM) and Natural Bond Orbital (NBO) analysis were also employed to characterise the differences between the phosphorous-halogen bonds.

Improved performance in vertical GaN Schottky diode assisted by AlGaN tunneling barrier

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

Cao, Y.; Chu, R.; Li, R.

2016-03-14

In a vertical GaN Schottky barrier diode, the free electron concentration n in the 6-μm-thick drift layer was found to greatly impact the diode reverse leakage current, which increased from 2.1 × 10{sup −7} A to 3.9 × 10{sup −4} A as n increased from 7.5 × 10{sup 14 }cm{sup −3} to 6.3 × 10{sup 15 }cm{sup −3} at a reverse bias of 100 V. By capping the drift layer with an ultrathin 5-nm graded AlGaN layer, reverse leakage was reduced by more than three orders of magnitude with the same n in the drift layer. We attribute this to the increased Schottky barrier height with the AlGaN at the surface. Meanwhile, themore » polarization field within the graded AlGaN effectively shortened the depletion depth, which led to the formation of tunneling current at a relatively small forward bias. The turn-on voltage in the vertical Schottky diodes was reduced from 0.77 V to 0.67 V—an advantage in reducing conduction loss in power switching applications.« less

Pressure effect on hydrogen tunneling and vibrational spectrum in α-Mn

DOE PAGES

Kolesnikov, Alexander I; Podlesnyak, Andrey A; Sadykov, Ravil A.; ...

2016-10-03

Here in this paper, the pressure effect on the tunneling mode and vibrational spectra of hydrogen in α-MnH0.07 has been studied by inelastic neutron scattering. Applying hydrostatic pressure of up to 30 kbar is shown to shift both the hydrogen optical modes and the tunneling peak to higher energies. First-principles calculations show that the potential for hydrogen in α-Mn becomes overall steeper with increasing pressure. At the same time, the barrier height and its extent in the direction of tunneling decrease and the calculations predict significant changes of the dynamics of hydrogen in α-Mn at 100 kbar, when the estimatedmore » tunneling splitting of the hydrogen ground state exceeds the barrier height.« less

Sputter deposition of indium tin oxide onto zinc pthalocyanine: Chemical and electronic properties of the interface studied by photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Gassmann, Jürgen; Brötz, Joachim; Klein, Andreas

2012-02-01

The interface chemistry and the energy band alignment at the interface formed during sputter deposition of transparent conducting indium tin oxide (ITO) onto the organic semiconductor zinc phtalocyanine (ZnPc), which is important for inverted, transparent, and stacked organic light emitting diodes, is studied by in situ photoelectron spectroscopy (XPS and UPS). ITO was sputtered at room temperature and a low power density with a face to face arrangement of the target and substrate. With these deposition conditions, no chemical reaction and a low barrier height for charge injection at this interface are observed. The barrier height is comparable to those observed for the reverse deposition sequence, which also confirms the absence of sputter damage.

Pressure effect on hydrogen tunneling and vibrational spectrum in α-Mn

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

Kolesnikov, Alexander I; Podlesnyak, Andrey A; Sadykov, Ravil A.

Here in this paper, the pressure effect on the tunneling mode and vibrational spectra of hydrogen in α-MnH0.07 has been studied by inelastic neutron scattering. Applying hydrostatic pressure of up to 30 kbar is shown to shift both the hydrogen optical modes and the tunneling peak to higher energies. First-principles calculations show that the potential for hydrogen in α-Mn becomes overall steeper with increasing pressure. At the same time, the barrier height and its extent in the direction of tunneling decrease and the calculations predict significant changes of the dynamics of hydrogen in α-Mn at 100 kbar, when the estimatedmore » tunneling splitting of the hydrogen ground state exceeds the barrier height.« less

Electronic transport and Schottky barrier heights of p-type CuAlO2 Schottky diodes

NASA Astrophysics Data System (ADS)

Lin, Yow-Jon; Luo, Jie; Hung, Hao-Che

2013-05-01

A CuAlO2 Schottky diode was fabricated and investigated using current density-voltage (J-V) and capacitance-voltage (C-V) methods. It is shown that the barrier height (qϕB) determined from J-V measurements is lower than that determined from C-V measurements and qϕB determined from C-V measurements is close to the Schottky limit. This is due to a combined effect of the image-force lowering and tunneling. Time domain measurements provide evidence of the domination of electron trapping with long-second lifetime in CuAlO2. Carrier capture and emission from charge traps may lead to the increased probability of tunneling, increasing the ideality factor.

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.).

Verification, Validation and Accreditation using AADL

DTIC Science & Technology

2011-05-03

component h component, c r2 socsr hhh  max. height (surface relative), hsr r1 pwbsra thh  max. height (absolute), ha pwb pwb t c0. Context-Specific...5512 digital oscillatorABC_9230 Warning Module PWB component component, c r2 hhh max. height (surface relative), hsr r1 pwbsra thh  max. height

Barrier height enhancement of metal/semiconductor contact by an enzyme biofilm interlayer

NASA Astrophysics Data System (ADS)

Ocak, Yusuf Selim; Gul Guven, Reyhan; Tombak, Ahmet; Kilicoglu, Tahsin; Guven, Kemal; Dogru, Mehmet

2013-06-01

A metal/interlayer/semiconductor (Al/enzyme/p-Si) MIS device was fabricated using α-amylase enzyme as a thin biofilm interlayer. It was observed that the device showed an excellent rectifying behavior and the barrier height value of 0.78 eV for Al/α-amylase/p-Si was meaningfully larger than the one of 0.58 eV for conventional Al/p-Si metal/semiconductor (MS) contact. Enhancement of the interfacial potential barrier of Al/p-Si MS diode was realized using enzyme interlayer by influencing the space charge region of Si semiconductor. The electrical properties of the structure were executed by the help of current-voltage and capacitance-voltage measurements. The photovoltaic properties of the structure were executed under a solar simulator with AM1.5 global filter between 40 and 100 mW/cm2 illumination conditions. It was also reported that the α-amylase enzyme produced from Bacillus licheniformis had a 3.65 eV band gap value obtained from optical method.

Richardson constant and electrostatics in transfer-free CVD grown few-layer MoS2/graphene barristor with Schottky barrier modulation >0.6eV

NASA Astrophysics Data System (ADS)

Jahangir, Ifat; Uddin, M. Ahsan; Singh, Amol K.; Koley, Goutam; Chandrashekhar, M. V. S.

2017-10-01

We demonstrate a large area MoS2/graphene barristor, using a transfer-free method for producing 3-5 monolayer (ML) thick MoS2. The gate-controlled diodes show good rectification, with an ON/OFF ratio of ˜103. The temperature dependent back-gated study reveals Richardson's coefficient to be 80.3 ± 18.4 A/cm2/K and a mean electron effective mass of (0.66 ± 0.15)m0. Capacitance and current based measurements show the effective barrier height to vary over a large range of 0.24-0.91 eV due to incomplete field screening through the thin MoS2. Finally, we show that this barristor shows significant visible photoresponse, scaling with the Schottky barrier height. A response time of ˜10 s suggests that photoconductive gain is present in this device, resulting in high external quantum efficiency.

Improved transfer of graphene for gated Schottky-junction, vertical, organic, field-effect transistors.

PubMed

Lemaitre, Maxime G; Donoghue, Evan P; McCarthy, Mitchell A; Liu, Bo; Tongay, Sefaattin; Gila, Brent; Kumar, Purushottam; Singh, Rajiv K; Appleton, Bill R; Rinzler, Andrew G

2012-10-23

An improved process for graphene transfer was used to demonstrate high performance graphene enabled vertical organic field effect transistors (G-VFETs). The process reduces disorder and eliminates the polymeric residue that typically plagues transferred films. The method also allows for purposely creating pores in the graphene of a controlled areal density. Transconductance observed in G-VFETs fabricated with a continuous (pore-free) graphene source electrode is attributed to modulation of the contact barrier height between the graphene and organic semiconductor due to a gate field induced Fermi level shift in the low density of electronic-states graphene electrode. Pores introduced in the graphene source electrode are shown to boost the G-VFET performance, which scales with the areal pore density taking advantage of both barrier height lowering and tunnel barrier thinning. Devices with areal pore densities of 20% exhibit on/off ratios and output current densities exceeding 10(6) and 200 mA/cm(2), respectively, at drain voltages below 5 V.

Space charge deposition in tubular channel ferroelectrets: A combined fluorescence imaging/LIMM study with finite element analysis

NASA Astrophysics Data System (ADS)

Nepal, Neerajan; Altafim, Ruy Alberto Pisani; Mellinger, Axel

2017-06-01

Ferroelectrets, i.e., soft materials with electric charges deposited on the surfaces of internal voids, are well known for their potential in transducer applications and energy harvesting. Due to their regular geometry and optical transparency, tubular channel ferroelectrets (manufactured by laminating polymer films around a polytetrafluoroethylene template which is later removed) are well-suited for studying the process of charge deposition. Understanding how space charges are formed on the internal surfaces will lead to improvements in the charge density and in the piezoelectric performance of these films. In this work, the inception voltage for dielectric barrier discharges (and hence the onset of charge deposition) was measured using two independent techniques, fluorescence imaging and the laser intensity modulation method (LIMM). The results (around 1.4-1.7 kV, depending on the void height) are in agreement within ±50 V. The internal electric field distribution was calculated using finite element analysis (FEA). Combined with Paschen's law, these calculations explained the experimentally observed discharge patterns, starting from the channel edges in thick samples, but glowing more uniformly in films with void heights of 50 μm or less. A time-dependent FEA simulation of the LIMM measurement reproduced the observed thermoelastic resonances and their effect on the LIMM signal, and explained its seemingly erratic behavior. This approach has great potential for analyzing LIMM and thermal pulse data obtained in inhomogeneous materials.

Real-Time Sensing of Enteropathogenic E. coli-Induced Effects on Epithelial Host Cell Height, Cell-Substrate Interactions, and Endocytic Processes by Infrared Surface Plasmon Spectroscopy

PubMed Central

Zlotkin-Rivkin, Efrat; Rund, David; Melamed-Book, Naomi; Zahavi, Eitan Erez; Perlson, Eran; Mercone, Silvana; Golosovsky, Michael; Davidov, Dan; Aroeti, Benjamin

2013-01-01

Enteropathogenic Escherichia coli (EPEC) is an important, generally non-invasive, bacterial pathogen that causes diarrhea in humans. The microbe infects mainly the enterocytes of the small intestine. Here we have applied our newly developed infrared surface plasmon resonance (IR-SPR) spectroscopy approach to study how EPEC infection affects epithelial host cells. The IR-SPR experiments showed that EPEC infection results in a robust reduction in the refractive index of the infected cells. Assisted by confocal and total internal reflection microscopy, we discovered that the microbe dilates the intercellular gaps and induces the appearance of fluid-phase-filled pinocytic vesicles in the lower basolateral regions of the host epithelial cells. Partial cell detachment from the underlying substratum was also observed. Finally, the waveguide mode observed by our IR-SPR analyses showed that EPEC infection decreases the host cell's height to some extent. Together, these observations reveal novel impacts of the pathogen on the host cell architecture and endocytic functions. We suggest that these changes may induce the infiltration of a watery environment into the host cell, and potentially lead to failure of the epithelium barrier functions. Our findings also indicate the great potential of the label-free IR-SPR approach to study the dynamics of host-pathogen interactions with high spatiotemporal sensitivity. PMID:24194932

Electrical properties and interface state energy distributions of Cr/n-Si Schottky barrier diode

NASA Astrophysics Data System (ADS)

Karataş, Şükrü; Yildirim, Nezir; Türüt, Abdülmecit

2013-12-01

In this study, the electrical characteristics of the Cr/n-type Si (MS) Schottky barrier diode have been investigated by the current-voltage (I-V) and capacitance-voltage (C-V) measurements at 300 K temperature. Using the thermionic emission theory, the values of ideality factor and the barrier height have been obtained to be 1.22, 0.71 and 1.01, 0.83 eV, from the results of the I-V and C-V measurements, respectively. The barrier height (Φb) and the series resistance (RS) obtained from Norde’s function have been compared with those obtained from Cheung functions, and a good agreement between the results of both methods was seen. The interface state density (NSS) calculated without the RS is obtained to be increasing exponentially with bias from 2.40 × 1012 cm-2 eV-1 in (EC-0.623) eV to 1.94 × 1014 cm-2 eV-1 in (EC-0.495) eV, also, the NSS obtained taking into account the RS has increased exponentially with bias from 2.07 × 1012 cm-2 eV-1 to 1.47 × 1014 cm-2 eV-1 in the same interval.

Ferroelectric-field-effect-enhanced electroresistance in metal/ferroelectric/semiconductor tunnel junctions

NASA Astrophysics Data System (ADS)

Wen, Zheng; Li, Chen; Wu, Di; Li, Aidong; Ming, Naiben

2013-07-01

Ferroelectric tunnel junctions (FTJs), composed of two metal electrodes separated by an ultrathin ferroelectric barrier, have attracted much attention as promising candidates for non-volatile resistive memories. Theoretical and experimental works have revealed that the tunnelling resistance switching in FTJs originates mainly from a ferroelectric modulation on the barrier height. However, in these devices, modulation on the barrier width is very limited, although the tunnelling transmittance depends on it exponentially as well. Here we propose a novel tunnelling heterostructure by replacing one of the metal electrodes in a normal FTJ with a heavily doped semiconductor. In these metal/ferroelectric/semiconductor FTJs, not only the height but also the width of the barrier can be electrically modulated as a result of a ferroelectric field effect, leading to a greatly enhanced tunnelling electroresistance. This idea is implemented in Pt/BaTiO3/Nb:SrTiO3 heterostructures, in which an ON/OFF conductance ratio above 104, about one to two orders greater than those reported in normal FTJs, can be achieved at room temperature. The giant tunnelling electroresistance, reliable switching reproducibility and long data retention observed in these metal/ferroelectric/semiconductor FTJs suggest their great potential in non-destructive readout non-volatile memories.

Spin-Polarization in Quasi-Magnetic Tunnel Junctions

NASA Astrophysics Data System (ADS)

Xie, Zheng-Wei; Li, Ling

2017-05-01

Spin polarization in ferromagnetic metal/insulator/spin-filter barrier/nonmagnetic metal, referred to as quasi-magnetic tunnel junctions, is studied within the free-electron model. Our results show that large positive or negative spin-polarization can be obtained at high bias in quasi-magnetic tunnel junctions, and within large bias variation regions, the degree of spin-polarization can be linearly tuned by bias. These linear variation regions of spin-polarization with bias are influenced by the barrier thicknesses, barrier heights and molecular fields in the spin-filter (SF) layer. Among them, the variations of thickness and heights of the insulating and SF barrier layers have influence on the value of spin-polarization and the linear variation regions of spin-polarization with bias. However, the variations of molecular field in the SF layer only have influence on the values of the spin-polarization and the influences on the linear variation regions of spin-polarization with bias are slight. Supported by the Key Natural Science Fund of Sichuan Province Education Department under Grant Nos 13ZA0149 and 16ZA0047, and the Construction Plan for Scientific Research Innovation Team of Universities in Sichuan Province under Grant No 12TD008.

Tunable Schottky barrier and high responsivity in graphene/Si-nanotip optoelectronic device

NASA Astrophysics Data System (ADS)

Di Bartolomeo, Antonio; Giubileo, Filippo; Luongo, Giuseppe; Iemmo, Laura; Martucciello, Nadia; Niu, Gang; Fraschke, Mirko; Skibitzki, Oliver; Schroeder, Thomas; Lupina, Grzegorz

2017-03-01

We demonstrate tunable Schottky barrier height and record photo-responsivity in a new-concept device made of a single-layer CVD graphene transferred onto a matrix of nanotips patterned on n-type Si wafer. The original layout, where nano-sized graphene/Si heterojunctions alternate to graphene areas exposed to the electric field of the Si substrate, which acts both as diode cathode and transistor gate, results in a two-terminal barristor with single-bias control of the Schottky barrier. The nanotip patterning favors light absorption, and the enhancement of the electric field at the tip apex improves photo-charge separation and enables internal gain by impact ionization. These features render the device a photodetector with responsivity (3 {{A}} {{{W}}}-1 for white LED light at 3 {{mW}} {{{cm}}}-2 intensity) almost an order of magnitude higher than commercial photodiodes. We extensively characterize the voltage and the temperature dependence of the device parameters, and prove that the multi-junction approach does not add extra-inhomogeneity to the Schottky barrier height distribution. We also introduce a new phenomenological graphene/semiconductor diode equation, which well describes the experimental I-V characteristics both in forward and reverse bias.

Current-induced changes of migration energy barriers in graphene and carbon nanotubes

NASA Astrophysics Data System (ADS)

Obodo, J. T.; Rungger, I.; Sanvito, S.; Schwingenschlögl, U.

2016-05-01

An electron current can move atoms in a nanoscale device with important consequences for the device operation and breakdown. We perform first principles calculations aimed at evaluating the possibility of changing the energy barriers for atom migration in carbon-based systems. In particular, we consider the migration of adatoms and defects in graphene and carbon nanotubes. Although the current-induced forces are large for both the systems, in graphene the force component along the migration path is small and therefore the barrier height is little affected by the current flow. In contrast, the same barrier is significantly reduced in carbon nanotubes as the current increases. Our work also provides a real-system numerical demonstration that current-induced forces within density functional theory are non-conservative.An electron current can move atoms in a nanoscale device with important consequences for the device operation and breakdown. We perform first principles calculations aimed at evaluating the possibility of changing the energy barriers for atom migration in carbon-based systems. In particular, we consider the migration of adatoms and defects in graphene and carbon nanotubes. Although the current-induced forces are large for both the systems, in graphene the force component along the migration path is small and therefore the barrier height is little affected by the current flow. In contrast, the same barrier is significantly reduced in carbon nanotubes as the current increases. Our work also provides a real-system numerical demonstration that current-induced forces within density functional theory are non-conservative. Electronic supplementary information (ESI) available. See DOI: 10.1039/C6NR00534A

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.

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.

Method for providing an arbitrary three-dimensional microstructure in silicon using an anisotropic deep etch

DOEpatents

Morales, Alfredo M.; Gonzales, Marcela

2004-06-15

The present invention describes a method for fabricating an embossing tool or an x-ray mask tool, providing microstructures that smoothly vary in height from point-to-point in etched substrates, i.e., structure which can vary in all three dimensions. The process uses a lithographic technique to transfer an image pattern in the surface of a silicon wafer by exposing and developing the resist and then etching the silicon substrate. Importantly, the photoresist is variably exposed so that when developed some of the resist layer remains. The remaining undeveloped resist acts as an etchant barrier to the reactive plasma used to etch the silicon substrate and therefore provides the ability etch structures of variable depths.

The effects of gamma irradiation on electrical characteristics of Zn/ZnO/n-Si/Au-Sb structure

NASA Astrophysics Data System (ADS)

Salari, M. Abdolahpour; Güzeldir, B.; Saǧlam, M.

2018-02-01

In this research, we have investigated the electrical characteristics of Zn/ZnO/n-Si/Au-Sb structure before and after 60Co gamma (γ)-ray source irradiation with the total dose range of 0-500 kGy at room temperature. Electrical measurements of this structure have been performed using current-voltage (I-V) and capacitance-voltage (C-V) techniques. Experimental results show that the values of the ideality factor obtained from I-V measurements increased and the values of the barrier height obtained from reverse-bias C-V measurements decreased after gamma-irradiation. The results show that the main effect of the radiation is the generation of laterally inhomogeneous defects near the semiconductor surface.

Specific features of the current–voltage characteristics of SiO{sub 2}/4H-SiC MIS structures with phosphorus implanted into silicon carbide

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

Mikhaylova, A. I., E-mail: m.aleksey.spb@gmail.com; Afanasyev, A. V.; Ilyin, V. A.

The effect of phosphorus implantation into a 4H-SiC epitaxial layer immediately before the thermal growth of a gate insulator in an atmosphere of dry oxygen on the reliability of the gate insulator is studied. It is found that, together with passivating surface states, the introduction of phosphorus ions leads to insignificant weakening of the dielectric breakdown field and to a decrease in the height of the energy barrier between silicon carbide and the insulator, which is due to the presence of phosphorus atoms at the 4H-SiC/SiO{sub 2} interface and in the bulk of silicon dioxide.

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.

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.

2D halide perovskite-based van der Waals heterostructures: contact evaluation and performance modulation

NASA Astrophysics Data System (ADS)

Guo, Yaguang; Saidi, Wissam A.; Wang, Qian

2017-09-01

Halide perovskites and van der Waals (vdW) heterostructures are both of current interest owing to their novel properties and potential applications in nano-devices. Here, we show the great potential of 2D halide perovskite sheets (C4H9NH3)2PbX4 (X  =  Cl, Br and I) that were synthesized recently (Dou et al 2015 Science 349 1518-21) as the channel materials contacting with graphene and other 2D metallic sheets to form van der Waals heterostructures for field effect transistor (FET). Based on state-of-the-art theoretical simulations, we show that the intrinsic properties of the 2D halide perovskites are preserved in the heterojunction, which is different from the conventional contact with metal surfaces. The 2D halide perovskites form a p-type Schottky barrier (Φh) contact with graphene, where tunneling barrier exists, and a negative band bending occurs at the lateral interface. We demonstrate that the Schottky barrier can be turned from p-type to n-type by doping graphene with nitrogen atoms, and a low-Φh or an Ohmic contact can be realized by doping graphene with boron atoms or replacing graphene with other high-work-function 2D metallic sheets such as ZT-MoS2, ZT-MoSe2 and H-NbS2. This study not only predicts a 2D halide perovskite-based FETs, but also enhances the understanding of tuning Schottky barrier height in device applications.

Transducer design and characterization for dorsal-based ultrasound exposure and two-photon imaging of in vivo blood-brain barrier disruption in a rat model.

PubMed

Nhan, Tam; Burgess, Alison; Hynynen, Kullervo

2013-07-01

Focused ultrasound (FUS) and microbubbles have been used effectively for transient, noninvasive blood¿ brain barrier disruption (BBBD). The use of two-photon microscopy (2PM) imaging of BBBD can provide valuable insights into the associated cellular mechanisms and fundamental biological effects. Coupling a thin ring-shaped transducer to a coverslip offers a robust solution for simultaneous dorsal application of FUS for BBBD and in vivo 2PM imaging of the cerebral microvasculature under treatment conditions. Two modes of vibration (thickness and height) from the transducer configuration were investigated for BBBD in an animal model. With the transducer operating in the thickness mode at 1.2 MHz frequency, shallow and localized BBBD near the cortical surface of animal brain was detected via 2PM and confirmed by Evans blue (EB) extravasation. Acoustic pressures ranging from 0.2 to 0.8 MPa were tested and the probability for successful BBBD was identified. Two distinct types of disruption characterized by different leakage kinetics were observed and appeared to be dependent on acoustic pressure.

Detection of alpha particles using DNA/Al Schottky junctions

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

Al-Ta'ii, Hassan Maktuff Jaber, E-mail: hassankirkukly@gmail.com, E-mail: vengadeshp@um.edu.my; Department of Physics, Faculty of Science, University of Al-Muthana, Al-Muthana 66001; Periasamy, Vengadesh, E-mail: hassankirkukly@gmail.com, E-mail: vengadeshp@um.edu.my

2015-09-21

Deoxyribonucleic acid or DNA can be utilized in an organic-metallic rectifying structure to detect radiation, especially alpha particles. This has become much more important in recent years due to crucial environmental detection needs in both peace and war. In this work, we fabricated an aluminum (Al)/DNA/Al structure and generated current–voltage characteristics upon exposure to alpha radiation. Two models were utilized to investigate these current profiles; the standard conventional thermionic emission model and Cheung and Cheung's method. Using these models, the barrier height, Richardson constant, ideality factor and series resistance of the metal-DNA-metal structure were analyzed in real time. The barriermore » height, Φ value calculated using the conventional method for non-radiated structure was 0.7149 eV, increasing to 0.7367 eV after 4 min of radiation. Barrier height values were observed to increase after 20, 30 and 40 min of radiation, except for 6, 8, and 10 min, which registered a decrease of about 0.67 eV. This was in comparison using Cheung and Cheung's method, which registered 0.6983 eV and 0.7528 eV for the non-radiated and 2 min of radiation, respectively. The barrier height values, meanwhile, were observed to decrease after 4 (0.61 eV) to 40 min (0.6945 eV). The study shows that conventional thermionic emission model could be practically utilized for estimating the diode parameters including the effect of series resistance. These changes in the electronic properties of the Al/DNA/Al junctions could therefore be utilized in the manufacture of sensitive alpha particle sensors.« less

TOPEX/El Niño Watch - Satellite shows Pacific Stabilizing, July 11, 1998

NASA Image and Video Library

1998-07-21

Height measurements taken by NASA U.S.-French TOPEX/Poseidon satellite. The image shows sea surface height relative to normal ocean conditions on July 11, 1998; sea surface height is an indicator of the heat content of the ocean.

Determination of Torsional Barriers of Itaconic Acid and N-Acetylethanolamine Using Chirped-Pulsed Ftmw Spectroscopy

NASA Astrophysics Data System (ADS)

Bailey, Josiah R.; McMahon, Timothy J.; Bird, Ryan G.; Pratt, David

2015-06-01

The ground state rotational spectrum of itaconic acid (methylenesuccinic acid) and N-acetylethanolamine (AEA) have been collected and analyzed over the frequency range of 7-17.5 GHz. Both molecules displayed an unexpected tunneling splitting pattern caused by a V2 and V3 barriers, respectively. AEA's methyl rotor is directly connected to a carbonyl and is expected to have too high of a barrier to internal motion. Itaconic acid contains no methyl groups or any symmetry, yet a torsional splitting was observed. The origin of this motion as well their barrier heights and lowest energy conformations will be discussed.

DFT studies on the mechanism of the reaction of C2H5S with NO2

NASA Astrophysics Data System (ADS)

Tang, Yi-Zhen; Sun, Hao; Pan, Ya-Ru; Pan, Xiu-Mei; Wang, Rong-Shun

The mechanisms for the reaction of C2H5S with NO2 are investigated at the QCISD(T)/6-311++G(d, p)//B3LYP/6-311++G(d, p) level on both single and triple potential energy surfaces. The geometries, vibrational frequencies and zero-point energy (ZPE) corrections of all stationary points involved in the title reaction are calculated at the B3LYP/6-311++G(d, p) level. The results show that the reaction is more predominant on the single potential energy surface, while it is negligible on the triple potential energy surface. Without barrier height in the whole process, the major channel is R ? C2H5SONO (IM1 and IM2) ? P1 (C2H5SO+NO). With much heat released in the formation of C2H5SNO2 (IM3) and the transition state involved in the subsequent step more stable than reactants, P4 (CH3CHS + t-HONO) is subdominant product energetically.

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

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.

Influence of B doping on the carrier transport mechanism and barrier height of graphene/ZnO Schottky contact

NASA Astrophysics Data System (ADS)

Li, Yapeng; Li, Yingfeng; Zhang, Jianhua; Tong, Ting; Ye, Wei

2018-03-01

The ZnO films were fabricated on the surface of n-Si(1 1 1) substrate using the sol-gel method, and the graphene was then transferred to its surface for the fabrication of the graphene/ZnO Schottky contact. The results showed that ZnO films presented a strong (0 0 2) preferred direction, and that the particle sizes on the surface decreased as the doping concentration of B ions increased. The electrical properties of the graphene/ZnO Schottky contact were measured by using current-voltage measurements. It was found that the graphene/ZnO Schottky contact showed a fine rectification behavior when the doping concentration of B ions was increased. However, when the doping concentration of the B ions increased to 0.15 mol l-1, the leakage current increased and rectification behavior weakened. This was due to the Fermi level pinning caused by the presence of the O vacancy at the interface of the graphene/ZnO Schottky contact.

Doping dependence of the contact resistivity of end-bonded metal contacts to thin heavily doped semiconductor nanowires

NASA Astrophysics Data System (ADS)

Shukkoor, Anvar A.; Karmalkar, Shreepad

2017-12-01

We study the resistivity, ρcN, of end-bonded contacts to semiconductor NanoWires (NWs) of radius R = 5-10 nm over doping Nd = 1018-1020 cm-3. The study is important for NW device design and characterization. It reports realistic calculations of ρcN and highlights and explains how ρcN differs significantly from the resistivity ρcB of bulk contacts. First, the space-charge width in NW contacts is increased by the surrounding field which depends on R, contact geometry, and ambient dielectric; this width also depends on surface charge and dielectric confinement which reduces dopant ionization. Second, thin NWs have a low effective lifetime, τN, due to surface recombination. Third, NW contacts have a lesser image force barrier lowering due to the higher space-charge width. Due to these factors, apart from tunneling (which decides ρcB), space-charge region generation-recombination current also affects ρcN. As Nd is raised from 1018 to 1020 cm-3, ρcB falls rapidly, but ρcN varies slowly and may even increase up to 3-5 × 1018 and then falls rapidly. Further, ρcN/ρcB can be ≪1 at Nd = 1 × 1018 cm-3, reaches a peak ≫1 around Nd = 1 × 1019 cm-3, and → 1 at Nd = 1 × 1020 cm-3, e.g., for 0.8 V contact barrier on 10 nm thick n-type silicon NWs with τN = 1 ps embedded in SiO2, at T = 300 K, even a 10 nm contact extension yields a peak of 75 at Nd = 8 × 1018 cm-3. We study changes in ρcN/ρcB versus Nd behavior with R, contact geometry, ambient dielectric, surface charge, τN, T, tunneling mass, and barrier height.

Adhesive behavior of micro/nano-textured surfaces

NASA Astrophysics Data System (ADS)

Zhang, Yuyan; Wang, Xiaoli; Li, Hanqing; Wang, Ben

2015-02-01

A numerical model of the adhesive contact between a rigid smooth sphere and an elastic textured surface based on the Lennard-Jones interatomic potential law and the Hamaker summation method is established. Textures are considered by introducing the texture height distribution into the gap equation. Simulation results show that the pull-off force on textured surfaces decreases compared to that on smooth surfaces. Furthermore, effects of sphere-shaped textures on reducing adhesion are more obvious than cylinder-shaped or cube-shaped textures when the coverage area ratio, maximum height and interval of textures are fixed. For surfaces with sphere-shaped textures, variation trends of the mean pull-off force with texture density are not monotonous, and there exists a certain range of texture densities in which the mean pull-off force is small and its variation is insignificant. In addition, the pull-off force depends also on the maximum height and radius of textures. On one hand, if the texture radius is fixed, larger maximum height results in smaller pull-off force, and if the maximum height is fixed, the pull-off force tends to increase almost linearly with increases in texture radius. On the other hand, if the height-diameter ratio of textures is fixed, the pull-off force reaches a minimum at an optimum texture radius or maximum height.

Evaluation of screen barriers on redbay trees to protect them from Xyleborus glabratus (Coleoptera: Curculionidae: Scolytinae) and distribution of initial attacks in relation to stem moisture content, diameter, and height

Treesearch

M. Lake Maner; James Hanula; S. Kristine Braman

2013-01-01

Fine mesh screen was used to create a physical barrier to prevent redbay ambrosia beetles, Xyleborus glabratus Eichhoff (Coleoptera: Curculionidae: Scolytinae), from accessing various parts of the boles of redbay trees, Persea borbonia (L.) Sprengel, and infecting them with the laurel wilt fungus, Raffaelea lauricola...

An Investigation of Instantaneous Plume Rise from Rocket Exhaust

DTIC Science & Technology

1996-12-01

METERS) TOP = 2973.48 BASE= 210.62 SIGMAR (AZ) AT THE SURFACE (DEGREES) 13.5054 SIGMER(EL) AT THE SURFACE (DEGREES) 2.9738 MET. WIND WIND LAYER WIND SPEED...SELECTED LAYER HEIGHT- (METERS) TOP = 2973.48 BASE= 210.62 SIGMAR (AZ) AT THE SURFACE (DEGREES) 13.6911 SIGMER(EL) AT THE SURFACE (DEGREES) 2.9738 MET...TIME (SECS) 368.08 FIRST MIXING LAYER HEIGHT- (METERS) TOP = 210.62 BASE= 0.00 SECOND SELECTED LAYER HEIGHT- (METERS) TOP = 2973.48 BASE= 210.62 SIGMAR

Effects of ageing on the electrical characteristics of Zn/ZnS/n-GaAs/In structure

NASA Astrophysics Data System (ADS)

Güzeldir, B.; Sağlam, M.

2016-04-01

Zn/ZnS/n-GaAs/In structure has been fabricated by the Successive Ionic Layer Adsorption and Reaction (SILAR) method and the influence of the time dependent or ageing on the characteristic parameters are examined. The current-voltage (I-V) of the structure have been measured immediately, 1, 3, 5, 15, 30, 45, 60, 75, 90, 105, 120, 135, 150 and 165 days after fabrication of this structure. The characteristics parameters of this structure such as barrier height, ideality factor, series resistance are calculated from the I-V measurements. It has been seen that the changes of characteristic parameters such as barrier height, ideality factor and series resistance of Zn/ZnS/n-GaAs/In structure have lightly changed with increasing ageing time.

Fermi level de-pinning of aluminium contacts to n-type germanium using thin atomic layer deposited layers

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

Gajula, D. R., E-mail: dgajula01@qub.ac.uk; Baine, P.; Armstrong, B. M.

Fermi-level pinning of aluminium on n-type germanium (n-Ge) was reduced by insertion of a thin interfacial dielectric by atomic layer deposition. The barrier height for aluminium contacts on n-Ge was reduced from 0.7 eV to a value of 0.28 eV for a thin Al{sub 2}O{sub 3} interfacial layer (∼2.8 nm). For diodes with an Al{sub 2}O{sub 3} interfacial layer, the contact resistance started to increase for layer thicknesses above 2.8 nm. For diodes with a HfO{sub 2} interfacial layer, the barrier height was also reduced but the contact resistance increased dramatically for layer thicknesses above 1.5 nm.

Capacitance-voltage characterization of Al/Al2O3/PVA-PbSe MIS diode

NASA Astrophysics Data System (ADS)

Gawri, Isha; Sharma, Mamta; Jindal, Silky; Singh, Harpreet; Tripathi, S. K.

2018-05-01

The present paper reports the capacitance-voltage characterization of Al/Al2O3/PVA-PbSe MIS diode using chemical bath deposition method. Here anodic alumina layer prepared using electrolytic deposition method on Al substrate is used as insulating material. Using the capacitance-voltage variation at a fixed frequency, the different parameters such as Depletion layer width, Barrier height, Built-in voltage and Carrier concentration has been calculated at room temperature as well as at temperature range from 123 K to 323 K. With the increase in temperature the barrier height and depletion layer width follow a decreasing trend. Therefore, the capacitance-voltage characterization at different temperatures characterization provides strong evidence that the properties of MIS diode are primarily affected by diode parameters.

Electrical characterization of n/p-type nickel silicide/silicon junctions by Sb segregation.

PubMed

Jun, Myungsim; Park, Youngsam; Hyun, Younghoon; Choi, Sung-Jin; Zyung, Taehyung; Jang, Moongyu

2011-08-01

In this paper, n/p-type nickel-silicided Schottky diodes were fabricated by incorporating antimony atoms near the nickel silicide/Si junction interface and the electrical characteristics were studied through measurements and simulations. The effective Schottky barrier height (SBH) for electron, extracted from the thermionic emission model, drastically decreased from 0.68 to less than 0.1 eV while that for hole slightly increased from 0.43 to 0.53 eV. In order to identify the current conduction mechanisms, the experimental current-temperature-voltage characteristics for the n-type diode were fitted based on various models for transport of charge carrier in Schottky diodes. As the result, the large change in effective SBH for electron is ascribed to trap-assisted tunneling rather than barrier height inhomogeneity.

Step edge influence on barrier height and contact area in vertical heterojunctions between epitaxial graphene and n-type 4H-SiC

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

Tadjer, M. J., E-mail: marko.tadjer.ctr@nrl.navy.mil; Nyakiti, L. O.; Robinson, Z.

2014-02-17

Vertical rectifying contacts of epitaxial graphene grown by Si sublimation on the Si-face of 4H-SiC epilayers were investigated. Forward bias preferential conduction through the step edges was correlated by linear current density normalization. This phenomenon was observed on samples with 2.7–5.8 monolayers of epitaxial graphene as determined by X-ray photoelectron spectroscopy. A modified Richardson plot was implemented to extract the barrier height (0.81 eV at 290 K, 0.99 eV at 30 K) and the electrically dominant SiC step length of a Ti/Al contact overlapping a known region of approximately 0.52 μm wide SiC terraces.

Generation of valley-polarized electron beam in bilayer graphene

NASA Astrophysics Data System (ADS)

Park, Changsoo

2015-12-01

We propose a method to produce valley-polarized electron beams using a bilayer graphene npn junction. By analyzing the transmission properties of electrons through the junction with zigzag interface in the presence of trigonal warping, we observe that there exist a range of incident energies and barrier heights in which transmitted electrons are well polarized and collimated. From this observation and by performing numerical simulations, it is demonstrated that valley-dependent electronic currents with nearly perfect polarization can be generated. We also show that the peak-to-peak separation angle between the polarized currents is tunable either by incident energy or by barrier height each of which is controlled by using top and back gate voltages. The results can be used for constructing an electron beam splitter to produce valley-polarized currents.

Trawling bats exploit an echo-acoustic ground effect

PubMed Central

Zsebok, Sandor; Kroll, Ferdinand; Heinrich, Melina; Genzel, Daria; Siemers, Björn M.; Wiegrebe, Lutz

2013-01-01

A water surface acts not only as an optic mirror but also as an acoustic mirror. Echolocation calls emitted by bats at low heights above water are reflected away from the bat, and hence the background clutter is reduced. Moreover, targets on the surface create an enhanced echo. Here, we formally quantified the effect of the surface and target height on both target detection and -discrimination in a combined laboratory and field approach with Myotis daubentonii. In a two-alternative, forced-choice paradigm, the bats had to detect a mealworm and discriminate it from an inedible dummy (20 mm PVC disc). Psychophysical performance was measured as a function of height above either smooth surfaces (water or PVC) or above a clutter surface (artificial grass). At low heights above the clutter surface (10, 20, or 35 cm), the bats' detection performance was worse than above a smooth surface. At a height of 50 cm, the surface structure had no influence on target detection. Above the clutter surface, also target discrimination was significantly impaired with decreasing target height. A detailed analysis of the bats' echolocation calls during target approach shows that above the clutter surface, the bats produce calls with significantly higher peak frequency. Flight-path reconstruction revealed that the bats attacked an target from below over water but from above over a clutter surface. These results are consistent with the hypothesis that trawling bats exploit an echo-acoustic ground effect, in terms of a spatio-temporal integration of direct reflections with indirect reflections from the water surface, to optimize prey detection and -discrimination not only for prey on the water but also for some range above. PMID:23576990

Formic acid catalyzed hydrolysis of SO3 in the gas phase: a barrierless mechanism for sulfuric acid production of potential atmospheric importance.

PubMed

Hazra, Montu K; Sinha, Amitabha

2011-11-02

Computational studies at the B3LYP/6-311++G(3df,3pd) and MP2/6-311++G(3df,3pd) levels are performed to explore the changes in reaction barrier height for the gas phase hydrolysis of SO(3) to form H(2)SO(4) in the presence of a single formic acid (FA) molecule. For comparison, we have also performed calculations for the reference reaction involving water assisted hydrolysis of SO(3) at the same level. Our results show that the FA assisted hydrolysis of SO(3) to form H(2)SO(4) is effectively a barrierless process. The barrier heights for the isomerization of the SO(3)···H(2)O···FA prereactive collision complex, which is the rate limiting step in the FA assisted hydrolysis, are found to be respectively 0.59 and 0.08 kcal/mol at the B3LYP/6-311++G(3df,3pd) and MP2/6-311++G(3df,3pd) levels. This is substantially lower than the ~7 kcal/mol barrier for the corresponding step in the hydrolysis of SO(3) by two water molecules--which is currently the accepted mechanism for atmospheric sulfuric acid production. Simple kinetic analysis of the relative rates suggests that the reduction in barrier height facilitated by FA, combined with the greater stability of the prereactive SO(3)···H(2)O···FA collision complex compared to SO(3)···H(2)O···H(2)O and the rather plentiful atmospheric abundance of FA, makes the formic acid mediated hydrolysis reaction a potentially important pathway for atmospheric sulfuric acid production.

Study of low resistivity and high work function ITO films prepared by oxygen flow rates and N2O plasma treatment for amorphous/crystalline silicon heterojunction solar cells.

PubMed

Hussain, Shahzada Qamar; Oh, Woong-Kyo; Kim, Sunbo; Ahn, Shihyun; Le, Anh Huy Tuan; Park, Hyeongsik; Lee, Youngseok; Dao, Vinh Ai; Velumani, S; Yi, Junsin

2014-12-01

Pulsed DC magnetron sputtered indium tin oxide (ITO) films deposited on glass substrates with lowest resistivity of 2.62 x 10(-4) Ω x cm and high transmittance of about 89% in the visible wavelength region. We report the enhancement of ITO work function (Φ(ITO)) by the variation of oxygen (O2) flow rate and N2O surface plasma treatment. The Φ(ITO) increased from 4.43 to 4.56 eV with the increase in O2 flow rate from 0 to 4 sccm while surface treatment of N2O plasma further enhanced the ITO work function to 4.65 eV. The crystallinity of the ITO films improved with increasing O2 flow rate, as revealed by XRD analysis. The ITO work function was increased by the interfacial dipole resulting from the surface rich in O- ions and by the dipole moment formed at the ITO surface during N2O plasma treatment. The ITO films with high work functions can be used to modify the front barrier height in heterojunction with intrinsic thin layer (HIT) solar cells.

Band-edge engineering of Silicon by Surface Functionalization: a Combined Ab-initio and Photoemission Study

NASA Astrophysics Data System (ADS)

Li, Yan; O'Leary, Leslie; Lewis, Nathan; Galli, Giulia

2012-02-01

The electrode material choice is limited in solar to fuel formation devices because of the requirement of band-edge matching to the fixed fuel formation potential. This limitation can be relieved via band-edge engineering. The changes of band-edge positions of Si electrodes induced by the adsorption of H-, Cl-, Br- and short-chain alkyl groups were investigated by combining density functional (DFT), many-body perturbation theory (MBPT), and ultraviolet photoelectron spectroscopy. The band edge shifts are related to the formation of surface dipole moments, and determine the barrier height of electrons and holes in doped silicon surfaces. We find that the trends of the sign and magnitude of the computed surface dipoles as a function of the adsorbate may be explained by simple electronegative rules. We show that quasi-particle energies obtained within MBPT are in good agreement with experiment, while DFT values may exhibit substantial errors. However computed band edge differences are in good agreement with spectroscopic and electrical measurements even at the DFT level of theory. [1] Y. Li and G. Galli, Phys. Rev. B 82, 045321 (2010). [2] Y. Li, L. O'Leary, N. Lewis and G. Galli, to be submitted.

Fashion versus perception: the impact of surface lightness on the perceived dimensions of interior space.

PubMed

Oberfeld, Daniel; Hecht, Heiko

2011-06-01

We compare expert opinion with perceptual judgment regarding the influence of color on the perceived height and width of interior rooms. We hypothesize that contrary to popular belief, ceiling and wall lightness have additive effects on perceived height, whereas the lightness contrast between these surfaces is less important. We assessed the intuitions of architectural experts as to which surface colors maximize apparent height and compared these intuitions with psychophysical height and width estimates for rooms differing in ceiling, floor, and wall lightness. Experiment 1 was a survey of architectural experts and nonexperts. Experiments 2 and 3 presented virtual rooms varying in physical height, physical width, and surface lightness. In Experiment 1, both experts and nonexperts erroneously assumed that the lightness contrast between ceiling and walls influences perceived height Experiment 2 showed that the lightness contrast does not determine apparent height but that ceiling and wall lightness have additive effects. Experiment 3 demonstrated a decrease in perceived width with physical height, whereas the perceived height was not related to physical width. Apparent width was unaffected by ceiling lightness. Light ceiling and light walls make a room appear higher, whereas floor color has a weaker effect. We also found evidence for an asymmetric interaction between height and width. The question of how to color walls and ceiling to maximize the apparent size of a room can be answered empirically. Aesthetic considerations may interfere with the correct assessment of the effects of color in experts.

Definition of Physical Height Systems for Telluric Planets and Moons

NASA Astrophysics Data System (ADS)

Tenzer, Robert; Foroughi, Ismael; Sjöberg, Lars E.; Bagherbandi, Mohammad; Hirt, Christian; Pitoňák, Martin

2018-01-01

In planetary sciences, the geodetic (geometric) heights defined with respect to the reference surface (the sphere or the ellipsoid) or with respect to the center of the planet/moon are typically used for mapping topographic surface, compilation of global topographic models, detailed mapping of potential landing sites, and other space science and engineering purposes. Nevertheless, certain applications, such as studies of gravity-driven mass movements, require the physical heights to be defined with respect to the equipotential surface. Taking the analogy with terrestrial height systems, the realization of height systems for telluric planets and moons could be done by means of defining the orthometric and geoidal heights. In this case, however, the definition of the orthometric heights in principle differs. Whereas the terrestrial geoid is described as an equipotential surface that best approximates the mean sea level, such a definition for planets/moons is irrelevant in the absence of (liquid) global oceans. A more natural choice for planets and moons is to adopt the geoidal equipotential surface that closely approximates the geometric reference surface (the sphere or the ellipsoid). In this study, we address these aspects by proposing a more accurate approach for defining the orthometric heights for telluric planets and moons from available topographic and gravity models, while adopting the average crustal density in the absence of reliable crustal density models. In particular, we discuss a proper treatment of topographic masses in the context of gravimetric geoid determination. In numerical studies, we investigate differences between the geodetic and orthometric heights, represented by the geoidal heights, on Mercury, Venus, Mars, and Moon. Our results reveal that these differences are significant. The geoidal heights on Mercury vary from - 132 to 166 m. On Venus, the geoidal heights are between - 51 and 137 m with maxima on this planet at Atla Regio and Beta Regio. The largest geoid undulations between - 747 and 1685 m were found on Mars, with the extreme positive geoidal heights under Olympus Mons in Tharsis region. Large variations in the geoidal geometry are also confirmed on the Moon, with the geoidal heights ranging from - 298 to 461 m. For comparison, the terrestrial geoid undulations are mostly within ± 100 m. We also demonstrate that a commonly used method for computing the geoidal heights that disregards the differences between the gravity field outside and inside topographic masses yields relatively large errors. According to our estimates, these errors are - 0.3/+ 3.4 m for Mercury, 0.0/+ 13.3 m for Venus, - 1.4/+ 125.6 m for Mars, and - 5.6/+ 45.2 m for the Moon.

Improving NOAA's NWLON Through Enhanced Data Inputs from NASA's Ocean Surface Topography

NASA Technical Reports Server (NTRS)

Guest, DeNeice C.

2010-01-01

This report assesses the benefit of incorporating NASA's OSTM (Ocean Surface Topography Mission) altimeter data (C- and Ku-band) into NOAA's (National Oceanic and Atmospheric Administration) NWLON (National Water Level Observation Network) DSS (Decision Support System). This data will enhance the NWLON DSS by providing additional inforrnation because not all stations collect all meteorological parameters (sea-surface height, ocean tides, wave height, and wind speed over waves). OSTM will also provide data where NWLON stations are not present. OSTM will provide data on seasurface heights for determining sea-level rise and ocean circulation. Researchers and operational users currently use satellite altimeter data products with the GSFCOO NASA data model to obtain sea-surface height and ocean circulation inforrnation. Accurate and tirnely inforrnation concerning sea-level height, tide, and ocean currents is needed to irnprove coastal tidal predictions, tsunarni and storm surge warnings, and wetland restoration.

Large-eddy simulations of surface roughness parameter sensitivity to canopy-structure characteristics

DOE PAGES

Maurer, K. D.; Bohrer, G.; Kenny, W. T.; ...

2015-04-30

Surface roughness parameters, namely the roughness length and displacement height, are an integral input used to model surface fluxes. However, most models assume these parameters to be a fixed property of plant functional type and disregard the governing structural heterogeneity and dynamics. In this study, we use large-eddy simulations to explore, in silico, the effects of canopy-structure characteristics on surface roughness parameters. We performed a virtual experiment to test the sensitivity of resolved surface roughness to four axes of canopy structure: (1) leaf area index, (2) the vertical profile of leaf density, (3) canopy height, and (4) canopy gap fraction.more » We found roughness parameters to be highly variable, but uncovered positive relationships between displacement height and maximum canopy height, aerodynamic canopy height and maximum canopy height and leaf area index, and eddy-penetration depth and gap fraction. We also found negative relationships between aerodynamic canopy height and gap fraction, as well as between eddy-penetration depth and maximum canopy height and leaf area index. We generalized our model results into a virtual "biometric" parameterization that relates roughness length and displacement height to canopy height, leaf area index, and gap fraction. Using a decade of wind and canopy-structure observations in a site in Michigan, we tested the effectiveness of our model-driven biometric parameterization approach in predicting the friction velocity over heterogeneous and disturbed canopies. We compared the accuracy of these predictions with the friction-velocity predictions obtained from the common simple approximation related to canopy height, the values calculated with large-eddy simulations of the explicit canopy structure as measured by airborne and ground-based lidar, two other parameterization approaches that utilize varying canopy-structure inputs, and the annual and decadal means of the surface roughness parameters at the site from meteorological observations. We found that the classical representation of constant roughness parameters (in space and time) as a fraction of canopy height performed relatively well. Nonetheless, of the approaches we tested, most of the empirical approaches that incorporate seasonal and interannual variation of roughness length and displacement height as a function of the dynamics of canopy structure produced more precise and less biased estimates for friction velocity than models with temporally invariable parameters.« less

Large-eddy simulations of surface roughness parameter sensitivity to canopy-structure characteristics

NASA Astrophysics Data System (ADS)

Maurer, K. D.; Bohrer, G.; Kenny, W. T.; Ivanov, V. Y.

2015-04-01

Surface roughness parameters, namely the roughness length and displacement height, are an integral input used to model surface fluxes. However, most models assume these parameters to be a fixed property of plant functional type and disregard the governing structural heterogeneity and dynamics. In this study, we use large-eddy simulations to explore, in silico, the effects of canopy-structure characteristics on surface roughness parameters. We performed a virtual experiment to test the sensitivity of resolved surface roughness to four axes of canopy structure: (1) leaf area index, (2) the vertical profile of leaf density, (3) canopy height, and (4) canopy gap fraction. We found roughness parameters to be highly variable, but uncovered positive relationships between displacement height and maximum canopy height, aerodynamic canopy height and maximum canopy height and leaf area index, and eddy-penetration depth and gap fraction. We also found negative relationships between aerodynamic canopy height and gap fraction, as well as between eddy-penetration depth and maximum canopy height and leaf area index. We generalized our model results into a virtual "biometric" parameterization that relates roughness length and displacement height to canopy height, leaf area index, and gap fraction. Using a decade of wind and canopy-structure observations in a site in Michigan, we tested the effectiveness of our model-driven biometric parameterization approach in predicting the friction velocity over heterogeneous and disturbed canopies. We compared the accuracy of these predictions with the friction-velocity predictions obtained from the common simple approximation related to canopy height, the values calculated with large-eddy simulations of the explicit canopy structure as measured by airborne and ground-based lidar, two other parameterization approaches that utilize varying canopy-structure inputs, and the annual and decadal means of the surface roughness parameters at the site from meteorological observations. We found that the classical representation of constant roughness parameters (in space and time) as a fraction of canopy height performed relatively well. Nonetheless, of the approaches we tested, most of the empirical approaches that incorporate seasonal and interannual variation of roughness length and displacement height as a function of the dynamics of canopy structure produced more precise and less biased estimates for friction velocity than models with temporally invariable parameters.

Statistical modeling of the long-range-dependent structure of barrier island framework geology and surface geomorphology

NASA Astrophysics Data System (ADS)

Weymer, Bradley A.; Wernette, Phillipe; Everett, Mark E.; Houser, Chris

2018-06-01

Shorelines exhibit long-range dependence (LRD) and have been shown in some environments to be described in the wave number domain by a power-law characteristic of scale independence. Recent evidence suggests that the geomorphology of barrier islands can, however, exhibit scale dependence as a result of systematic variations in the underlying framework geology. The LRD of framework geology, which influences island geomorphology and its response to storms and sea level rise, has not been previously examined. Electromagnetic induction (EMI) surveys conducted along Padre Island National Seashore (PAIS), Texas, United States, reveal that the EMI apparent conductivity (σa) signal and, by inference, the framework geology exhibits LRD at scales of up to 101 to 102 km. Our study demonstrates the utility of describing EMI σa and lidar spatial series by a fractional autoregressive integrated moving average (ARIMA) process that specifically models LRD. This method offers a robust and compact way of quantifying the geological variations along a barrier island shoreline using three statistical parameters (p, d, q). We discuss how ARIMA models that use a single parameter d provide a quantitative measure for determining free and forced barrier island evolutionary behavior across different scales. Statistical analyses at regional, intermediate, and local scales suggest that the geologic framework within an area of paleo-channels exhibits a first-order control on dune height. The exchange of sediment amongst nearshore, beach, and dune in areas outside this region are scale independent, implying that barrier islands like PAIS exhibit a combination of free and forced behaviors that affect the response of the island to sea level rise.

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.

An atlas of monthly mean distributions of GEOSAT sea surface height, SSMI surface wind speed, AVHRR/2 sea surface temperature, and ECMWF surface wind components during 1988

NASA Technical Reports Server (NTRS)

Halpern, D.; Zlotnicki, V.; Newman, J.; Brown, O.; Wentz, F.

1991-01-01

Monthly mean global distributions for 1988 are presented with a common color scale and geographical map. Distributions are included for sea surface height variation estimated from GEOSAT; surface wind speed estimated from the Special Sensor Microwave Imager on the Defense Meteorological Satellite Program spacecraft; sea surface temperature estimated from the Advanced Very High Resolution Radiometer on NOAA spacecrafts; and the Cartesian components of the 10m height wind vector computed by the European Center for Medium Range Weather Forecasting. Charts of monthly mean value, sampling distribution, and standard deviation value are displayed. Annual mean distributions are displayed.

Oxy-nitrides characterization with a new ERD-TOF system

NASA Astrophysics Data System (ADS)

Chicoine, M.; Schiettekatte, F.; Laitinen, M. I.; Sajavaara, T.

2017-09-01

A new time-of-flight (TOF) camera was installed on Elastic Recoil Detection (ERD) measurement setup on the Tandem Accelerator at Université de Montréal. The camera consists of two timing detectors, developed and built by the Jyvaskyla group, that use a thin carbon foil and microchannel plates (MCP) to produce the start and stop signals. The position of the first detector is fixed at 18 cm from the target, while the position of the second detector can be varied between 50 and 90 cm from the first detector. This allows to increase time resolution by increasing the distance between the time-of-flight detectors or to increase solid angle by decreasing the distance. Moving the detector also helps determining the parameters such as the effective distance between detector foils and the delay time. Compared to the original system, which had only one timing detector and relied on a surface barrier energy detector to measure both the energy and the stop signal, in the new system the energy is now obtained from the timing signal with much better resolution, reaching ∼4 nm near the surface. There is also no more need to keep track of the surface barrier detector calibration for each element, including the pulse height defect. We show examples of quantitative depth profiles of oxy-nitride layers that has been characterized with this new system. It allows quantitative depth profiling of targets that would be difficult to analyze with other techniques, especially when light elements such as hydrogen, carbon, or nitrogen are mixed in various proportions in a heavy element matrix.

Urban sound energy reduction by means of sound barriers

NASA Astrophysics Data System (ADS)

Iordache, Vlad; Ionita, Mihai Vlad

2018-02-01

In urban environment, various heating ventilation and air conditioning appliances designed to maintain indoor comfort become urban acoustic pollution vectors due to the sound energy produced by these equipment. The acoustic barriers are the recommended method for the sound energy reduction in urban environment. The current sizing method of these acoustic barriers is too difficult and it is not practical for any 3D location of the noisy equipment and reception point. In this study we will develop based on the same method a new simplified tool for acoustic barriers sizing, maintaining the same precision characteristic to the classical method. Abacuses for acoustic barriers sizing are built that can be used for different 3D locations of the source and the reception points, for several frequencies and several acoustic barrier heights. The study case presented in the article represents a confirmation for the rapidity and ease of use of these abacuses in the design of the acoustic barriers.

The significant effect of the thickness of Ni film on the performance of the Ni/Au Ohmic contact to p-GaN

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

Li, X. J.; Zhao, D. G., E-mail: dgzhao@red.semi.ac.cn; Jiang, D. S.

2014-10-28

The significant effect of the thickness of Ni film on the performance of the Ohmic contact of Ni/Au to p-GaN is studied. The Ni/Au metal films with thickness of 15/50 nm on p-GaN led to better electrical characteristics, showing a lower specific contact resistivity after annealing in the presence of oxygen. Both the formation of a NiO layer and the evolution of metal structure on the sample surface and at the interface with p-GaN were checked by transmission electron microscopy and energy-dispersive x-ray spectroscopy. The experimental results indicate that a too thin Ni film cannot form enough NiO to decrease themore » barrier height and get Ohmic contact to p-GaN, while a too thick Ni film will transform into too thick NiO cover on the sample surface and thus will also deteriorate the electrical conductivity of sample.« less

Quantum and classical dynamics of water dissociation on Ni(111): A test of the site-averaging model in dissociative chemisorption of polyatomic molecules

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

Jiang, Bin; Department of Chemical Physics, University of Science and Technology of China, Hefei 230026; Guo, Hua, E-mail: hguo@unm.edu

Recently, we reported the first highly accurate nine-dimensional global potential energy surface (PES) for water interacting with a rigid Ni(111) surface, built on a large number of density functional theory points [B. Jiang and H. Guo, Phys. Rev. Lett. 114, 166101 (2015)]. Here, we investigate site-specific reaction probabilities on this PES using a quasi-seven-dimensional quantum dynamical model. It is shown that the site-specific reactivity is largely controlled by the topography of the PES instead of the barrier height alone, underscoring the importance of multidimensional dynamics. In addition, the full-dimensional dissociation probability is estimated by averaging fixed-site reaction probabilities with appropriatemore » weights. To validate this model and gain insights into the dynamics, additional quasi-classical trajectory calculations in both full and reduced dimensions have also been performed and important dynamical factors such as the steering effect are discussed.« less

Electrical characteristics of TMAH-surface treated Ni/Au/Al2O3/GaN MIS Schottky structures

NASA Astrophysics Data System (ADS)

Reddy, M. Siva Pratap; Lee, Jung-Hee; Jang, Ja-Soon

2014-03-01

The electrical characteristics and reverse leakage mechanisms of tetramethylammonium hydroxide (TMAH) surface-treated Ni/Au/Al2O3/GaN metal-insulator-semiconductor (MIS) diodes were investigated by using the current-voltage ( I-V) and capacitance-voltage ( C-V) characteristics. The MIS diode was formed on n-GaN after etching the AlGaN in the AlGaN/GaN heterostructures. The TMAH-treated MIS diode showed better Schottky characteristics with a lower ideality factor, higher barrier height and lower reverse leakage current compared to the TMAH-free MIS diode. In addition, the TMAH-free MIS diodes exhibited a transition from Poole-Frenkel emission at low voltages to Schottky emission at high voltages, whereas the TMAH-treated MIS diodes showed Schottky emission over the entire voltage range. Reasonable mechanisms for the improved device-performance characteristics in the TMAH-treated MIS diode are discussed in terms of the decreased interface state density or traps associated with an oxide material and the reduced tunneling probability.

Computational Study of Chemical Reactivity Using Information-Theoretic Quantities from Density Functional Reactivity Theory for Electrophilic Aromatic Substitution Reactions.

PubMed

Wu, Wenjie; Wu, Zemin; Rong, Chunying; Lu, Tian; Huang, Ying; Liu, Shubin

2015-07-23

The electrophilic aromatic substitution for nitration, halogenation, sulfonation, and acylation is a vastly important category of chemical transformation. Its reactivity and regioselectivity is predominantly determined by nucleophilicity of carbon atoms on the aromatic ring, which in return is immensely influenced by the group that is attached to the aromatic ring a priori. In this work, taking advantage of recent developments in quantifying nucleophilicity (electrophilicity) with descriptors from the information-theoretic approach in density functional reactivity theory, we examine the reactivity properties of this reaction system from three perspectives. These include scaling patterns of information-theoretic quantities such as Shannon entropy, Fisher information, Ghosh-Berkowitz-Parr entropy and information gain at both molecular and atomic levels, quantitative predictions of the barrier height with both Hirshfeld charge and information gain, and energetic decomposition analyses of the barrier height for the reactions. To that end, we focused in this work on the identity reaction of the monosubstituted-benzene molecule reacting with hydrogen fluoride using boron trifluoride as the catalyst in the gas phase. We also considered 19 substituting groups, 9 of which are ortho/para directing and the other 9 meta directing, besides the case of R = -H. Similar scaling patterns for these information-theoretic quantities found for stable species elsewhere were disclosed for these reactions systems. We also unveiled novel scaling patterns for information gain at the atomic level. The barrier height of the reactions can reliably be predicted by using both the Hirshfeld charge and information gain at the regioselective carbon atom. The energy decomposition analysis ensued yields an unambiguous picture about the origin of the barrier height, where we showed that it is the electrostatic interaction that plays the dominant role, while the roles played by exchange-correlation and steric effects are minor but indispensable. Results obtained in this work should shed new light for better understanding of the factors governing the reactivity for this class of reactions and assisting ongoing efforts for the design of new and more efficient catalysts for such kind of transformations.

Worksheets for computing recommended notebook computer and workstation adjustments.

PubMed

Nanthavanij, Suebsak; Udomratana, Chatkate; Hansawad, Saowalak; Thepkanjana, Jayaporn; Tantasuwan, Wanchalerm

2013-01-01

This paper discusses the design and development of worksheets for helping notebook computer (NBC) users to compute NBC and workstation adjustments so as to assume an appropriate seated posture. The worksheets (one for male users, the other for female ones) require the following information: body height, NBC screen size, work surface height, and seat height. The worksheets contain tables for estimating recommended NBC base angle, NBC screen angle, body-NBC distance, work surface height, and seat height. Additionally, they include flow charts to help NBC users to determine necessary adjustment accessories and their settings.

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

Maurer, K. D.; Bohrer, G.; Kenny, W. T.

Surface roughness parameters, namely the roughness length and displacement height, are an integral input used to model surface fluxes. However, most models assume these parameters to be a fixed property of plant functional type and disregard the governing structural heterogeneity and dynamics. In this study, we use large-eddy simulations to explore, in silico, the effects of canopy-structure characteristics on surface roughness parameters. We performed a virtual experiment to test the sensitivity of resolved surface roughness to four axes of canopy structure: (1) leaf area index, (2) the vertical profile of leaf density, (3) canopy height, and (4) canopy gap fraction.more » We found roughness parameters to be highly variable, but uncovered positive relationships between displacement height and maximum canopy height, aerodynamic canopy height and maximum canopy height and leaf area index, and eddy-penetration depth and gap fraction. We also found negative relationships between aerodynamic canopy height and gap fraction, as well as between eddy-penetration depth and maximum canopy height and leaf area index. We generalized our model results into a virtual "biometric" parameterization that relates roughness length and displacement height to canopy height, leaf area index, and gap fraction. Using a decade of wind and canopy-structure observations in a site in Michigan, we tested the effectiveness of our model-driven biometric parameterization approach in predicting the friction velocity over heterogeneous and disturbed canopies. We compared the accuracy of these predictions with the friction-velocity predictions obtained from the common simple approximation related to canopy height, the values calculated with large-eddy simulations of the explicit canopy structure as measured by airborne and ground-based lidar, two other parameterization approaches that utilize varying canopy-structure inputs, and the annual and decadal means of the surface roughness parameters at the site from meteorological observations. We found that the classical representation of constant roughness parameters (in space and time) as a fraction of canopy height performed relatively well. Nonetheless, of the approaches we tested, most of the empirical approaches that incorporate seasonal and interannual variation of roughness length and displacement height as a function of the dynamics of canopy structure produced more precise and less biased estimates for friction velocity than models with temporally invariable parameters.« less

Monthly Maps of Sea Surface Height in the North Atlantic and Zonal Indices for the Gulf Stream Using TOPEX/Poseidon Altimeter Data

NASA Technical Reports Server (NTRS)

Singh, Sandipa; Kelly, Kathryn A.

1997-01-01

Monthly Maps of sea surface height are constructed for the North Atlantic Ocean using TOPEX/Poseidon altimeter data. Mean sea surface height is reconstructed using a weighted combination of historical, hydrographic data and a synthetic mean obtained by fitting a Gaussian model of the Gulf Stream jet to altimeter data. The resultant mean shows increased resolution over the hydrographic mean, and incorporates recirculation information that is absent in the synthetic mean. Monthly maps, obtained by adding the mean field to altimeter sea surface height residuals, are used to derive a set of zonal indices that describe the annual cycle of meandering as well as position and strength of the Gulf Stream.

Use of reflected GNSS SNR data to retrieve either soil moisture or vegetation height from a wheat crop

NASA Astrophysics Data System (ADS)

Zhang, Sibo; Roussel, Nicolas; Boniface, Karen; Ha, Minh Cuong; Frappart, Frédéric; Darrozes, José; Baup, Frédéric; Calvet, Jean-Christophe

2017-09-01

This work aims to estimate soil moisture and vegetation height from Global Navigation Satellite System (GNSS) Signal to Noise Ratio (SNR) data using direct and reflected signals by the land surface surrounding a ground-based antenna. Observations are collected from a rainfed wheat field in southwestern France. Surface soil moisture is retrieved based on SNR phases estimated by the Least Square Estimation method, assuming the relative antenna height is constant. It is found that vegetation growth breaks up the constant relative antenna height assumption. A vegetation-height retrieval algorithm is proposed using the SNR-dominant period (the peak period in the average power spectrum derived from a wavelet analysis of SNR). Soil moisture and vegetation height are retrieved at different time periods (before and after vegetation's significant growth in March). The retrievals are compared with two independent reference data sets: in situ observations of soil moisture and vegetation height, and numerical simulations of soil moisture, vegetation height and above-ground dry biomass from the ISBA (interactions between soil, biosphere and atmosphere) land surface model. Results show that changes in soil moisture mainly affect the multipath phase of the SNR data (assuming the relative antenna height is constant) with little change in the dominant period of the SNR data, whereas changes in vegetation height are more likely to modulate the SNR-dominant period. Surface volumetric soil moisture can be estimated (R2 = 0.74, RMSE = 0.009 m3 m-3) when the wheat is smaller than one wavelength (˜ 19 cm). The quality of the estimates markedly decreases when the vegetation height increases. This is because the reflected GNSS signal is less affected by the soil. When vegetation replaces soil as the dominant reflecting surface, a wavelet analysis provides an accurate estimation of the wheat crop height (R2 = 0.98, RMSE = 6.2 cm). The latter correlates with modeled above-ground dry biomass of the wheat from stem elongation to ripening. It is found that the vegetation height retrievals are sensitive to changes in plant height of at least one wavelength. A simple smoothing of the retrieved plant height allows an excellent matching to in situ observations, and to modeled above-ground dry biomass.

CVD-Based Valence-Mending Passivation for Crystalline-Si Solar Cells

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

Tao, Meng

2015-03-01

The objective of this project is to investigate a new surface passivation technique, valence-mending passivation, for its applications in crystalline-Si solar cells to achieve significant efficiency improvement and cost reduction. As the enabling technique, the project includes the development of chemical vapor deposition recipes to passivate textured Si(100) and multicrystalline-Si surfaces by sulfur and the characterization of the passivated Si surfaces, including thermal stability, Schottky barrier height, contact resistance and surface recombination. One important application is to replace the Ag finger electrode in Si cells with Al to reduce cost, by ~$0.1/Wp, and allow terawatt-scale deployment of crystalline-Si solar cells.more » These all-Al Si cells require a low-temperature metallization process for the Al electrode, to be compatible with valence-mending passivation and to prevent Al diffusion into n-type Si. Another application is to explore valence-mending passivation of grain boundaries in multicrystalline Si by diffusing sulfur into grain boundaries, to reduce the efficiency gas between monocrystalline-Si solar cells and multicrystalline-Si cells. The major accomplishments of this project include: 1) Demonstration of chemical vapor deposition processes for valence-mending passivation of both monocrystalline Si(100) and multicrystalline Si surfaces. Record Schottky barriers have been demonstrated, with the new record-low barrier of less than 0.08 eV between Al and sulfur-passivated n-type Si(100) and the new record-high barrier of 1.14 eV between Al and sulfur-passivated p-type Si(100). On the textured p-type monocrystalline Si(100) surface, the highest barrier with Al is 0.85 eV by valence-mending passivation. 2) Demonstration of a low-temperature metallization process for Al in crystalline-Si solar cells. The new metallization process is based on electroplating of Al in a room-temperature ionic liquid. The resistivity of the electroplated Al is ~7×10–6 ohm-cm, similar to that of screen-printed Ag. 3) Demonstration of two all-Al, Ag-free Si solar cells, with an electroplated Al front electrode and a screen-printed Al back electrode. One cell is an industrial p-type front-emitter cell, and the other is an n-type back-emitter cell. The efficiency of the p-type cell is close to 15%. This is an industrial cell and its efficiency is capped at ~18%. 4) Demonstration of grain boundary passivation by both hydrogen and sulfur using hydrogen sulfide (H2S). When the new grain boundary passivation is combined with Al2O3 surface passivation and post-annealing, the minority carrier lifetime in the p-type multicrystalline Si samples shows a significant improvement up to 68 fold. 5) In a side project, a simple green process is developed which is capable of recycling over 90% of the Si material in end-of-life crystalline-Si solar cells. The recycled Si meets the specifications for solar-grade Si and can be used as a new poly-Si feedstock for ingot growth.« less

Biomechanical evaluation of injury severity associated with patient falls from bed.

PubMed

Bowers, Bonnie; Lloyd, John; Lee, W; Powell-Cope, G; Baptiste, A

2008-01-01

This study investigated the severity of injuries associated with falling from bed and the effectiveness of injury-prevention strategies. Injury criteria were calculated for head- and feet-first falls from six bed heights onto a tiled surface and floor mat. These values indicated a 25% chance of experiencing a serious head injury as a result of falling feet-first from a bed height of 97.5 cm onto a tiled surface. Risk of injury increased to 40% when extrapolated for the height added by bedrails. Using a floor mat decreased this risk to less than 1% for bedrail height for feet-first falls. Calculated impact forces indicated a risk of skull fracture when hitting the tiled surface. Floor mats and height-adjustable beds positioned to the lowest height should be used to decrease the risk of injury associated with falling from bed.

Contact doping, Klein tunneling, and asymmetry of shot noise in suspended graphene

NASA Astrophysics Data System (ADS)

Laitinen, Antti; Paraoanu, G. S.; Oksanen, Mika; Craciun, Monica F.; Russo, Saverio; Sonin, Edouard; Hakonen, Pertti

2016-01-01

The inherent asymmetry of the electric transport in graphene is attributed to Klein tunneling across barriers defined by p n interfaces between positively and negatively charged regions. By combining conductance and shot noise experiments, we determine the main characteristics of the tunneling barrier (height and slope) in a high-quality suspended sample with Au/Cr/Au contacts. We observe an asymmetric resistance Rodd=100 -70 Ω across the Dirac point of the suspended graphene at carrier density | nG|=(0.3 -4 ) × 1011cm-2 , while the Fano factor displays a nonmonotonic asymmetry in the range Fodd˜0.03 -0.1. Our findings agree with analytical calculations based on the Dirac equation with a trapezoidal barrier. Comparison between the model and the data yields the barrier height for tunneling, an estimate of the thickness of the p n interface d <20 nm, and the contact region doping corresponding to a Fermi level offset of ˜-18 meV. The strength of pinning of the Fermi level under the metallic contact is characterized in terms of the contact capacitance Cc=19 ×10-6 F/cm2 . Additionally, we show that the gate voltage corresponding to the Dirac point is given by the difference in work functions between the backgate material and graphene.

Capacitance and conductance-frequency characteristics of In-pSi Schottky barrier diode

NASA Astrophysics Data System (ADS)

Dhimmar, J. M.; Desai, H. N.; Modi, B. P.

2015-06-01

The Schottky barrier height (SBH) values have been calculated by using the reverse bias capacitance-voltage (C-V) characteristics at temperature range of 120-360K. The forward bias capacitance-frequency (C-f) and conductance- frequency (G-f) measurement of In-pSi SBD have been carried out from 0-1.0 V with a step up 0.05 V whereby the energy distribution of the interface state has been determined from the forward bias I-V data taking the bias dependence of the effective barrier height and series resistance (RS) into account. The high value of ideality factor (n=2.12) was attributing to high density of interface states and interfacial oxide layer at metal semiconductor interface. The interface state density (NSS) shows a decrease with bias from bottom of conduction band toward the mid gap. In order to examine frequency dependence NSS, RS, C-V and G(ω)/ω-f measurement of the diode were performed at room temperature in the frequency range of 100Hz-100KHz. Experimental result confirmed that there is an influence in the electrical characteristic of Schottky diode.

Diester Molecules for Organic-Based Electrical and Photoelectrical Devices

NASA Astrophysics Data System (ADS)

Topal, Giray; Tombak, Ahmet; Yigitalp, Esref; Batibay, Derya; Kilicoglu, Tahsin; Ocak, Yusuf Selim

2017-07-01

Diester derivatives of terephthalic acid molecules were synthesized according to the literature. Au/Diester derivatives/ n-Si organic-inorganic (OI) heterojunction-type devices were fabricated, and the current-voltage ( I- V) characteristics of the devices have been investigated at room temperature. I- V characteristics demonstrated that all diodes had excellent rectification properties. Primary diode parameters such as series resistance and barrier height were extracted by using semi-log I- V plots and Norde methods, and were compared. It was seen that there was a substantial agreement between results obtained from two methods. Calculated barrier height values were about the same with 0.02-eV differences that were attributed to the series resistance. Ideality factors, which show how the diode closes to ideal diodes, were also extracted from semi-log I- V plots. Thus, the modification of the Au/ n-Si diode potential barrier was accomplished using diester derivatives as an interlayer. The I- V measurements were repeated to characterize the devices at 100 mW/cm2 illumination intensity with the help of a solar simulator with an AM1.5G filter.

The effect of magnetic field on chiral transmission in p-n-p graphene junctions.

PubMed

Li, Yuan; Wan, Qi; Peng, Yingzi; Wang, Guanqing; Qian, Zhenghong; Zhou, Guanghui; Jalil, Mansoor B A

2015-12-18

We investigate Klein tunneling in graphene heterojunctions under the influence of a perpendicular magnetic field via the non-equilibrium Green's function method. We find that the angular dependence of electron transmission is deflected sideways, resulting in the suppression of normally incident electrons and overall decrease in conductance. The off-normal symmetry axis of the transmission profile was analytically derived. Overall tunneling conductance decreases to almost zero regardless of the potential barrier height V0 when the magnetic field (B-field) exceeds a critical value, thus achieving effective confinement of Dirac fermions. The critical field occurs when the width of the magnetic field region matches the diameter of the cyclotron orbit. The potential barrier also induces distinct Fabry-Pérot fringe patterns, with a "constriction region" of low transmission when V0 is close to the Fermi energy. Application of B-field deflects the Fabry-Pérot interference pattern to an off-normal angle. Thus, the conductance of the graphene heterojunctions can be sharply modulated by adjusting the B-field strength and the potential barrier height relative to the Fermi energy.

The effect of magnetic field on chiral transmission in p-n-p graphene junctions

NASA Astrophysics Data System (ADS)

Li, Yuan; Wan, Qi; Peng, Yingzi; Wang, Guanqing; Qian, Zhenghong; Zhou, Guanghui; Jalil, Mansoor B. A.

2015-12-01

We investigate Klein tunneling in graphene heterojunctions under the influence of a perpendicular magnetic field via the non-equilibrium Green’s function method. We find that the angular dependence of electron transmission is deflected sideways, resulting in the suppression of normally incident electrons and overall decrease in conductance. The off-normal symmetry axis of the transmission profile was analytically derived. Overall tunneling conductance decreases to almost zero regardless of the potential barrier height when the magnetic field (B-field) exceeds a critical value, thus achieving effective confinement of Dirac fermions. The critical field occurs when the width of the magnetic field region matches the diameter of the cyclotron orbit. The potential barrier also induces distinct Fabry-Pérot fringe patterns, with a “constriction region” of low transmission when is close to the Fermi energy. Application of B-field deflects the Fabry-Pérot interference pattern to an off-normal angle. Thus, the conductance of the graphene heterojunctions can be sharply modulated by adjusting the B-field strength and the potential barrier height relative to the Fermi energy.

Temperature Dependence Of Current-Voltage Characteristics Of Au/p-GaAsN Schottky Barrier Diodes, With Small N Content

NASA Astrophysics Data System (ADS)

Rangel-Kuoppa, Victor-Tapio; Reentilä, Outi; Sopanen, Markku; Lipsanen, Harri

2011-12-01

The temperature dependent current-voltage (IVT) measurements on Au Schottky barrier diodes made on intrinsically p-type GaAs1-xNx were carried out. Three samples with small N content (x = 0.5%, 0.7% and 1%) were studied. The temperature range was 10-320 K. All contacts were found to be of Schottky type. The ideality factor and the apparent barrier height calculated by using thermionic emission (TE) theory show a strong temperature dependence. The current voltage (IV) curves are fitted based on the TE theory, yielding a zero-bias carrier height (ΦB0) and a ideality factor (n) that decrease and increase with decreasing temperature, respectively. The linear fitting of ΦB0 vs n and its subsequent evaluation for n = 1 give a zero-bias ΦB0 in the order of 0.35-0.4 eV. From the reverse-bias IV study, it is found that the experimental carrier density (NA) values increase with increasing temperature and are in agreement with the intrinsic carrier concentration for GaAs.

Personal Equipment and Clothing Correction Factors for the Australian Army: A Pilot Survey

DTIC Science & Technology

2014-11-01

Sitting M24 Fit Thigh Clearance M12 Clearance and Fit, DHM Knee Height, Sitting M13 Fit, DHM Popliteal Height M14 Fit, DHM Buttock-Knee Length...Measure Semi-Nude Definition Encumbered Definition EM28 Knee Height, Sitting Footrest surface to Suprapatella ( M13 ). Footrest surface to

Methane steam reforming rates over Pt, Rh and Ni(111) accounting for H tunneling and for metal lattice vibrations

NASA Astrophysics Data System (ADS)

German, Ernst D.; Sheintuch, Moshe

2017-02-01

Microkinetic models of methane steam reforming (MSR) over bare platinum and rhodium (111) surfaces are analyzed in present work using calculated rate constants. The individual rate constants are classified into three different sets: (i) rate constants of adsorption and desorption steps of CH4, H2O, CO and of H2; (ii) rate constants of dissociation and formation of A-H bonds (A = C, O, and H), and (iii) rate constants of dissociation and formation of C-O bond. The rate constants of sets (i) and (iii) are calculated using transition state theory and published thermochemical data. The rate constants of H-dissociation reactions (set (ii)) are calculated in terms of a previously-developed approach that accounts for thermal metal lattice vibrations and for H tunneling through a potential barrier of height which depends on distance of AH from a surface. Pre-exponential factors of several group (ii) steps were calculated to be usually lower than the traditional kBT/h due to tunneling effect. Surface composition and overall MSR rates over platinum and rhodium surfaces are compared with those over nickel surface showing that operating conditions strongly affect on the activity order of the catalysts.

HCl dissociating on a rigid Au(111) surface: A six-dimensional quantum mechanical study on a new potential energy surface based on the RPBE functional.

PubMed

Liu, Tianhui; Fu, Bina; Zhang, Dong H

2017-04-28

The dissociative chemisorption of HCl on the Au(111) surface has recently been an interesting and important subject, regarding the discrepancy between the theoretical dissociation probabilities and the experimental sticking probabilities. We here constructed an accurate full-dimensional (six-dimensional (6D)) potential energy surface (PES) based on the density functional theory (DFT) with the revised Perdew-Burke-Ernzerhof (RPBE) functional, and performed 6D quantum mechanical (QM) calculations for HCl dissociating on a rigid Au(111) surface. The effects of vibrational excitations, rotational orientations, and site-averaging approximation on the present RPBE PES are investigated. Due to the much higher barrier height obtained on the RPBE PES than on the PW91 PES, the agreement between the present theoretical and experimental results is greatly improved. In particular, at the very low kinetic energy, the QM-RPBE dissociation probability agrees well with the experimental data. However, the computed QM-RPBE reaction probabilities are still markedly different from the experimental values at most of the energy regions. In addition, the QM-RPBE results achieve good agreement with the recent ab initio molecular dynamics calculations based on the RPBE functional at high kinetic energies.

Investigation of gas surface interactions at self-assembled silicon surfaces acting as gas sensors

NASA Astrophysics Data System (ADS)

Narducci, Dario; Bernardinello, Patrizia; Oldani, Matteo

2003-05-01

This paper reports the results of an investigation aimed at using self-assembled monolayers to modify the supramolecular interactions between Si surfaces and gaseous molecules. The specific goal is that of employing molecularly imprinted silicon surfaces to develop a new class of chemical sensors capable to detect species with enhanced selectivity. Single-crystal p-type (0 0 1) silicon has been modified by grafting organic molecules onto its surface by using wet chemistry synthetic methods. Silicon has been activated toward nucleophilic attack by brominating its surface using a modified version of the purple etch, and aromatic fragments have been bonded through the formation of direct Si-C bonds onto it using Grignard reagents or lithium aryl species. Formation of self-assembled monolayers (SAMs) was verified by using vibrational spectroscopy. Porous metal-SAM-Si diodes have been successfully tested as resistive chemical sensors toward NO x, SO x, CO, NH 3 and methane. Current-voltage characteristics measured at different gas compositions showed that the mechanism of surface electron density modulation involves a modification of the junction barrier height upon gas adsorption. Quantum-mechanical simulations of the interaction mechanism were carried out using different computational methods to support such an interaction mechanism. The results obtained appear to open up new relevant applications of the SAM techniques in the area of gas sensing.

Synthetic temperature profiles derived from Geosat altimetry: Comparison with air-dropped expendable bathythermograph profiles

NASA Astrophysics Data System (ADS)

Carnes, Michael R.; Mitchell, Jim L.; de Witt, P. Webb

1990-10-01

Synthetic temperature profiles are computed from altimeter-derived sea surface heights in the Gulf Stream region. The required relationships between surface height (dynamic height at the surface relative to 1000 dbar) and subsurface temperature are provided from regression relationships between dynamic height and amplitudes of empirical orthogonal functions (EOFs) of the vertical structure of temperature derived by de Witt (1987). Relationships were derived for each month of the year from historical temperature and salinity profiles from the region surrounding the Gulf Stream northeast of Cape Hatteras. Sea surface heights are derived using two different geoid estimates, the feature-modeled geoid and the air-dropped expendable bathythermograph (AXBT) geoid, both described by Carnes et al. (1990). The accuracy of the synthetic profiles is assessed by comparison to 21 AXBT profile sections which were taken during three surveys along 12 Geosat ERM ground tracks nearly contemporaneously with Geosat overflights. The primary error statistic considered is the root-mean-square (rms) difference between AXBT and synthetic isotherm depths. The two sources of error are the EOF relationship and the altimeter-derived surface heights. EOF-related and surface height-related errors in synthetic temperature isotherm depth are of comparable magnitude; each translates into about a 60-m rms isotherm depth error, or a combined 80 m to 90 m error for isotherms in the permanent thermocline. EOF-related errors are responsible for the absence of the near-surface warm core of the Gulf Stream and for the reduced volume of Eighteen Degree Water in the upper few hundred meters of (apparently older) cold-core rings in the synthetic profiles. The overall rms difference between surface heights derived from the altimeter and those computed from AXBT profiles is 0.15 dyn m when the feature-modeled geoid is used and 0.19 dyn m when the AXBT geoid is used; the portion attributable to altimeter-derived surface height errors alone is 0.03 dyn m less for each. In most cases, the deeper structure of the Gulf Stream and eddies is reproduced well by vertical sections of synthetic temperature, with largest errors typically in regions of high horizontal gradient such as across rings and the Gulf Stream front.

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.

Observation of quantum oscillation of work function in ultrathin-metal/semiconductor junctions

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

Takhar, Kuldeep; Meer, Mudassar; Khachariya, Dolar

2015-09-15

Quantization in energy level due to confinement is generally observed for semiconductors. This property is used for various quantum devices, and it helps to improve the characteristics of conventional devices. Here, the authors have demonstrated the quantum size effects in ultrathin metal (Ni) layers sandwiched between two large band-gap materials. The metal work function is found to oscillate as a function of its thickness. The thermionic emission current bears the signature of the oscillating work function, which has a linear relationship with barrier heights. This methodology allows direct observation of quantum oscillations in metals at room temperature using a Schottkymore » diode and electrical measurements using source-measure-units. The observed phenomena can provide additional mechanism to tune the barrier height of metal/semiconductor junctions, which are used for various electronic devices.« less

A numerical model for explaining the role of the interface morphology in composite solar cells

NASA Astrophysics Data System (ADS)

Martin, C. M.; Burlakov, V. M.; Assender, H. E.; Barkhouse, D. A. R.

2007-11-01

We have developed a numerical model that simulates the operation of organic/inorganic photovoltaic devices. Using this model, we have investigated the effect of the interface morphology and have shown that for a given system, there is both a most efficient device thickness and the interfacial feature size for overall power conversion. The variation of current-voltage (I-V) curves with differing recombination rates, anode barrier height, and light intensity has been simulated with reducing the recombination rate and lowering the anode barrier height shown to lead to improved open circuit voltages and fill factors. Through this model, we show that the increase in fill factor observed when the lithium salt Li[CF3SO2]2N is added to devices can be explained by an increase in the polymer hole mobility.

Perspective analysis of tri gate germanium tunneling field-effect transistor with dopant segregation region at source/drain

NASA Astrophysics Data System (ADS)

Liu, Liang-kui; Shi, Cheng; Zhang, Yi-bo; Sun, Lei

2017-04-01

A tri gate Ge-based tunneling field-effect transistor (TFET) has been numerically studied with technology computer aided design (TCAD) tools. Dopant segregated Schottky source/drain is applied to the device structure design (DS-TFET). The characteristics of the DS-TFET are compared and analyzed comprehensively. It is found that the performance of n-channel tri gate DS-TFET with a positive bias is insensitive to the dopant concentration and barrier height at n-type drain, and that the dopant concentration and barrier height at a p-type source considerably affect the device performance. The domination of electron current in the entire BTBT current of this device accounts for this phenomenon and the tri-gate DS-TFET is proved to have a higher performance than its dual-gate counterpart.

Internal Dynamics of Water Attached to a Photoacidic Substrate: High Resolution Electronic Spectroscopy of β-NAPHTHOL-WATER in the Gas Phase.

NASA Astrophysics Data System (ADS)

Fleisher, Adam J.; Young, Justin W.; Pratt, David W.

2010-06-01

An understanding of the structure and internal dynamics of water attached to the photoacid β-naphthol is attainable through rotationally resolved electronic spectroscopy. Here, we present rotational constants for the 1:1 acid-base cluster in both S0 and S1, which provide the location of water within the cluster, as well as the barrier height to internal rotation of water in each electronic state. The barrier height decreases slightly upon excitation, from 206 wn in S0, to 182 wn in S1. There is also little evidence of a large change in water location, orientation, or overall hydrogen bond length upon irradiation with UV light. Thus, a single water molecule has relatively little affect on the substrate photo-acidity measured in the liquid phase.

Effect of an InxGa1-xAs-GaAs blocking heterocathode metal contact on the GaAs TED operation

NASA Astrophysics Data System (ADS)

Arkusha, Yu. V.; Prokhorov, E. D.; Storozhenko, I. P.

2004-09-01

The frequency dependence of the generation efficiency of an mm- -nn:In:InxGaGa1-1-xAs- As-nn:GaAs-:GaAs-nn++:GaAs TED with the 2.5-mm long active region is calculated. The optimum values - which yield the diode maximum generation efficiency - for the :GaAs TED with the 2.5-mm long active region is calculated. The optimum values - which yield the diode maximum generation efficiency - for the nn:In:InxGaGa1-1-xAs cathode length, the cathode concentration of ionized impurities, and the height of the potential barrier on metal contact are determined.As cathode length, the cathode concentration of ionized impurities, and the height of the potential barrier on metal contact are determined.

Experimental analysis of the Schottky barrier height of metal contacts in black phosphorus field-effect transistors

NASA Astrophysics Data System (ADS)

Chang, Hsun-Ming; Fan, Kai-Lin; Charnas, Adam; Ye, Peide D.; Lin, Yu-Ming; Wu, Chih-I.; Wu, Chao-Hsin

2018-04-01

Compared to graphene and MoS2, studies on metal contacts to black phosphorus (BP) transistors are still immature. In this work, we present the experimental analysis of titanium contacts on BP based upon the theory of thermionic emssion. The Schottky barrier height (SBH) is extracted by thermionic emission methods to analyze the properties of Ti-BP contact. To examine the results, the band gap of BP is extracted followed by theoretical band alignment by Schottky-Mott rule. However, an underestimated SBH is found due to the hysteresis in electrical results. Hence, a modified SBH extraction for contact resistance that avoids the effects of hysteresis is proposed and demonstrated, showing a more accurate SBH that agrees well with theoretical value and results of transmission electron microscopy and energy-dispersive x-ray spectroscopy.

Analysis of electronic parameters and frequency-dependent properties of Au/NiO/ n-GaN heterojunctions

NASA Astrophysics Data System (ADS)

Reddy, Varra Niteesh; Padma, R.; Gunasekhar, K. R.

2018-01-01

The electrical and frequency-dependent properties of ten Au/NiO/ n-GaN heterojunctions fabricated with similar conditions are assessed by I-V, C-V, and G-V measurement methods. In addition, C-f and G-f measurements are conducted in the frequency range of 1 kHz-1 MHz. The electronic parameters are changed from junction to junction even if they are fabricated in the similar way. The calculated barrier height and ideality factor values are fitted by the Gaussian distribution function. Statistical analysis of the data provides the mean barrier height and ideality factor values of 0.84 eV and 2.70 for the heterojunction. Besides, the mean barrier height ( V b), donor concentration ( N d), space charge layer width ( W D), and Fermi level ( E F) are determined from the C-V data and the corresponding values are 1.30 eV, 2.00 × 1017 cm-3, 8.222 × 10-6 cm, and 0.018 eV, respectively. The interface state density ( N SS) and relaxation time (τ) are assessed from C-f and G-f measurements. Moreover, the dielectric constant ( ɛ'), dielectric loss ( ɛ″), tangent loss (tan δ), and electrical conductivity ( σ ac) are determined from C-f and G-f data in the frequency range of 1 kHz-1 MHz with various biases (0.1-0.6 V). ɛ' and ɛ″ are decreased with increasing frequency.

An Updated Equilibrium Machine

NASA Astrophysics Data System (ADS)

Schultz, Emeric

2008-08-01

A device that can demonstrate equilibrium, kinetic, and thermodynamic concepts is described. The device consists of a leaf blower attached to a plastic container divided into two chambers by a barrier of variable size and form. Styrofoam balls can be exchanged across the barrier when the leaf blower is turned on and various air pressures are applied. Equilibrium can be approached from different distributions of balls in the container under different conditions. The Le Châtelier principle can be demonstrated. Kinetic concepts can be demonstrated by changing the nature of the barrier, either changing the height or by having various sized holes in the barrier. Thermodynamic concepts can be demonstrated by taping over some or all of the openings and restricting air flow into container on either side of the barrier.

Adsorption heights and bonding strength of organic molecules on a Pb-Ag surface alloy

NASA Astrophysics Data System (ADS)

Stadtmüller, Benjamin; Haag, Norman; Seidel, Johannes; van Straaten, Gerben; Franke, Markus; Kumpf, Christian; Cinchetti, Mirko; Aeschlimann, Martin

2016-12-01

The understanding of the fundamental geometric and electronic properties of metal-organic hybrid interfaces is a key issue on the way to improving the performance of organic electronic and spintronic devices. Here, we studied the adsorption heights of copper-II-phthalocyanine (CuPc) and 3,4,9,10-perylene-tetracarboxylic-dianhydride (PTCDA) on a Pb1Ag2 surface alloy on Ag(111) using the normal-incidence x-ray standing waves technique. We find a significantly larger adsorption height of both molecules on the Pb-Ag surface alloy compared to the bare Ag(111) surface which is caused by the larger size of Pb. This increased adsorption height suppresses the partial chemical interaction of both molecules with Ag surface atoms. Instead, CuPc and PTCDA molecules bond only to the Pb atoms with different interaction strength ranging from a van der Waals-like interaction for CuPc to a weak chemical interaction with additional local bonds for PTCDA. The different adsorption heights for CuPc and PTCDA on Pb1Ag2 are the result of local site-specific molecule-surface bonds mediated by functional molecular groups and the different charge donating and accepting character of CuPc and PTCDA.

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.

Influence of interface inhomogeneities in thin-film Schottky diodes

NASA Astrophysics Data System (ADS)

Wilson, Joshua; Zhang, Jiawei; Li, Yunpeng; Wang, Yiming; Xin, Qian; Song, Aimin

2017-11-01

The scalability of thin-film transistors has been well documented, but there have been very few investigations into the effects of device scalability in Schottky diodes. Indium-gallium-zinc-oxide (IGZO) Schottky diodes were fabricated with IGZO thicknesses of 50, 150, and 250 nm. Despite the same IGZO-Pt interface and Schottky barrier being formed in all devices, reducing the IGZO thickness caused a dramatic deterioration of the current-voltage characteristics, most notably increasing the reverse current by nearly five orders of magnitude. Furthermore, the forward characteristics display an increase in the ideality factor and a reduction in the barrier height. The origins of this phenomenon have been elucidated using device simulations. First, when the semiconductor layer is fully depleted, the electric field increases with the reducing thickness, leading to an increased diffusion current. However, the effects of diffusion only offer a small contribution to the huge variations in reverse current seen in the experiments. To fully explain this effect, the role of inhomogeneities in the Schottky barrier height has been considered. Contributions from lower barrier regions (LBRs) are found to dominate the reverse current. The conduction band minimum below these LBRs is strongly dependent upon thickness and bias, leading to reverse current variations as large as several orders of magnitude. Finally, it is demonstrated that the thickness dependence of the reverse current is exacerbated as the magnitude of the inhomogeneities is increased and alleviated in the limit where the LBRs are large enough not to be influenced by the adjacent higher barrier regions.

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.

Delay time and Hartman effect in strain engineered graphene

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

Chen, Xi, E-mail: xchen@shu.edu.cn; Deng, Zhi-Yong; Ban, Yue, E-mail: yban@shu.edu.cn

2014-05-07

Tunneling times, including group delay and dwell time, are studied for massless Dirac electrons transmitting through a one-dimensional barrier in strain-engineered graphene. The Hartman effect, the independence of group delay on barrier length, is induced by the strain effect, and associated with the transmission gap and the evanescent mode. The influence of barrier height/length and strain modulus/direction on the group delay is also discussed, which provides the flexibility to control the group delay with applications in graphene-based devices. The relationship between group delay and dwell time is finally derived to clarify the nature of the Hartman effect.

Fully reprocessed ERS-1 altimeter data from 1992 to 1995: Feasibility of the detection of long term sea level change

NASA Astrophysics Data System (ADS)

Anzenhofer, M.; Gruber, T.

1998-04-01

Global mean sea level observations are necessary to answer the urgent questions about climate changes and their impact on socio-economy. At GeoForschungsZentrum/Geman Processing and Archiving Facility ERS altimeter data is used to systematically generate geophysical products such as sea surface topography, high-resolution geoid and short- and long-period sea surface height models. On the basis of this experience, fully reprocessed ERS-1 altimeter data is used to generated a time series of monthly sea surface height models from April 1992 to April 1995. The reprocessing consists of improved satellite ephemerides, merging of Grenoble tidal model, and application of range corrections due to timing errors. With the new data set the TOPEX/POSEIDON prelaunch accuracy requirements are fulfilled. The 3-year time series is taken to estimate the rate of change of global mean sea level. A careful treatment of seasonal effects is considered. A masking of continents, sea ice, and suspect sea surface heights is chosen that is common for all sea surface height models. The obtained rate of change is compared to external results from tide gauge records and TOPEX/POSEIDON data. The relation of sea level changes and sea surface temperature variations is examined by means of global monthly sea surface temperature maps. Both global wind speed and wave height maps are investigated and correlated with sea surface heights and sea surface temperatures in order to find other indicators of climate variations. The obtained rate of changes of the various global maps is compared to an atmospheric CO2 anomaly record, which is highly correlated to El Niño events. The relatively short period of 3 years, however, does not allow definite conclusions with respect to possible long-term climate changes.

Influence of hydrophobic and superhydrophobic surfaces on reducing aerodynamic insect residues

NASA Astrophysics Data System (ADS)

Krishnan, K. Ghokulla; Milionis, Athanasios; Loth, Eric; Farrell, Thomas E.; Crouch, Jeffrey D.; Berry, Douglas H.

2017-01-01

Insect fouling during takeoff, climb and landing can result in increased drag and fuel consumption for aircrafts with laminar-flow surfaces. This study investigates the effectiveness of various hydrophobic and superhydrophobic surfaces in reducing residue of insects on an aerodynamic surface at relatively high impact speeds (about 45 m/s). An experimental setup consisting of a wind tunnel and a method to inject live flightless fruit flies was used to test the effectiveness of various surfaces against insect fouling. Insect fouling was analyzed based on residue area and height from multiple impacts. In general most of the residue area was due to the hemolymph spreading while most of the residue height was due to adhesion of exoskeleton parts. Hydrophobic and especially superhydrophobic surfaces performed better than a hydrophilic aluminum surface in terms of minimizing the residue area of various insect components (exoskeleton, hemolymph, and red fluid). Surfaces with reduced wettability and short lateral length scales tended to have the smallest residue area. Residue height was not as strongly influenced by surface wettability since even a single exoskeleton adhered to the surface upon impact was enough to produce a residue height of the order of one mm. In general, the results indicate that hemolymph spread needs to be avoided (e.g. by having reduced wettability and short lateral correlation lengths) in order to minimize the residue area, while exoskeleton adherence needs to be avoided (e.g. by having oleophobic properties and micro/nano roughness) in order to minimize the residue height. In particular, two of the superhydrophobic coatings produced substantial reduction in residue height and area, relative to the baseline surface of aluminum. However, the surfaces also showed poor mechanical durability on the high-speed insect impact location. This suggests that although low wettability materials show great insect anti-fouling behavior, their durability needs to be substantially improved in order to withstand harsh aerospace conditions.

Microphysical modeling of cirrus. 2: Sensitivity studies

NASA Technical Reports Server (NTRS)

Jensen, Eric J.; Toon, Owen B.; Westphal, Douglas L.; Kinne, Stefan; Heymsfield, Andrew J.

1994-01-01

The one-dimensional cirrus model described in part 1 of this issue has been used to study the sensitivity of simulated cirrus microphysical and radiative properties to poorly known model parameters, poorly understood physical processes, and environmental conditions. Model parameters and physical processes investigated include nucleation rate, mode of nucleation (e.g., homogeneous freezing of aerosols and liquid droplets or heterogeneous deposition), ice crystal shape, and coagulation. These studies suggest that the leading sources of uncertainty in the model are the phase change (liquid-solid) energy barrier and the ice-water surface energy which dominate the homogeneous freezing nucleation rate and the coagulation sticking efficiency at low temperatures which controls the production of large ice crystals (radii greater than 100 mcirons). Environmental conditions considered in sensitivity tests were CN size distribution, vertical wind speed, and cloud height. We found that (unlike stratus clouds) variations in the total number of condensation nuclei (NC) have little effect on cirrus microphysical and radiative properties, since nucleation occurs only on the largest CN at the tail of the size distribution. The total number of ice crystals which nucleate has little or no relationship to the number of CN present and depends primarily on the temperature and the cooling rate. Stronger updrafts (more rapid cooling) generate higher ice number densities, ice water content, cloud optical depth, and net radiative forcing. Increasing the height of the clouds in the model leads to an increase in ice number density, a decrease in effective radius, and a decrease in ice water content. The most prominent effect of increasing cloud height was a rapid increase in the net cloud radiative forcing which can be attributed to the change in cloud temperature as well as change in cloud ice size distributions. It has long been recognized that changes in cloud height or cloud area have the greatest potential for causing feedbacks on climate change. Our results suggest that variations in vertical velocity or cloud microphysical changes associatd with cloud height changes may also be important.

Development and fabrication of improved Schottky power diodes, phases I and II

NASA Technical Reports Server (NTRS)

Cordes, L. F.; Garfinkle, M.; Taft, E. A.

1974-01-01

Reproducible methods for the fabrication of silicon Schottky diodes were developed for the metals tungsten, aluminum, conventional platinum silicide and low temperature platinum silicide. Barrier heights and barrier lowering were measured permitting the accurate prediction of ideal forward and reverse diode performance. Processing procedures were developed which permit the fabrication of large area (approximately 1 sqcm) mesa-geometry power Schottky diodes with forward and reverse characteristics that approach theoretical values.

Analyses of Sea Surface Height, Bottom Pressure and Acoustic Travel Time in the Japan/East Sea

DTIC Science & Technology

2006-01-01

ANALYSES OF SEA SURFACE HEIGHT, BOTTOM PRESSURE AND ACOUSTIC TRAVEL TIME IN THE JAPAN/EAST SEA BY YONGSHENG XU A DISSERTATION SUBMITTED IN PARTIAL...COVERED 00-00-2006 to 00-00-2006 4. TITLE AND SUBTITLE Analyses of Sea Surface Height, Bottom Pressure and Acoustic Travel Time in the Japan/East Sea...1999 to July 2001. The PIESs recorded hourly vertical acoustic travel time and pressure, which are respectively good proxies of baroclinic and

Assessing the Role of Dune Topography on a Fresh Water Lens of a Siliciclastic Barrier Along the Northern Gulf of Mexico

NASA Astrophysics Data System (ADS)

Anderson, C. P.; Carter, G. A.; Mooneyhan, D.

2013-12-01

Carlton P. Anderson, Gregory Carter, and David Mooneyhan University of Southern Mississippi Gulf Coast Geospatial Center Department of Geography and Geology Carlton.p.anderson@eagles.usm.edu The Mississippi-Alabama (MS-AL) barrier island chain consist of dynamic depositional landforms that constantly undergo changes in their evolutionary processes through changes in sea level, sediment supply, and weather events. These complex landscapes of the Northern Gulf of Mexico (NGOM) provide a chance to study their geomorphological progressions, which have been produced by sea level rise and fluvial processes throughout the Holocene. Studies on the freshwater lens of barriers have mainly concentrated on carbonate island settings with minimal focus to barriers with siliciclastic geology. The purpose of this study is to examine the relationship beach dune topography plays in the development and sustainability of the fresh water lens of Cat Island, Mississippi. Cat Island offers the opportunity to research a siliciclastic barrier along the NGOM where minimal anthropogenic activities have taken place. To determine the effect dune topography has on the fresh water lens, a transect of permanent water wells were used in conjunction with test wells at different sites throughout the north spit of the island, to establish the water table height above the ellipsoid (WGS 84), with vertical accuracies of 2 cm. Cross-sectional profiles of the dunes were also performed utilizing purposeful transects that intersected fresh water ponds in the dune-swale systems. These ponds provide water table elevations at the surface which were interpolated across the dunes for areas that lacked permanent well sites. To obtain survey-grade accuracies, a Trimble TSC3 receiver coupled with a R8 antennae RTK system were used. Salinity measurements were taken at test sites to determine the salt-to-freshwater interface. Results provide insights into how dune topography influences the fresh water lens of a siliciclastic barrier.

Molecular simulations of palladium catalysed hydrodeoxygenation of 2-hydroxybenzaldehyde using density functional theory.

PubMed

Verma, Anand Mohan; Kishore, Nanda

2017-09-27

The catalytic conversion of 2-hydroxybenzaldehyde (2-HB) is carried out numerically over a Pd(111) surface using density functional theory. The palladium catalyst surface is designed using a 12 atom monolayer and verified with the adsorption of phenol, benzene, anisole, guaiacol, and vanillin; it is found that the adsorption energies along with the adsorption configurations of phenol and benzene are in excellent agreement with the literature. The conversion of 2-HB over the Pd(111) catalyst surface is performed using four reaction schemes: (i) dehydrogenation of the formyl group followed by elimination of CO and association of hydrogen with 2-hydroxyphenyl to produce phenol, (ii) direct elimination of CHO from 2-HB followed by elimination of hydrogen from adsorbed CHO and association of hydrogen with 2-hydroxyphenyl to produce phenol, (iii) direct dehydroxylation of 2-HB followed by association of a hydrogen atom with 2-formylphenyl to produce benzaldehyde, and (iv) dehydrogenation of the hydroxyl group of 2-HB followed by elimination of an oxygen atom and association of a hydrogen atom with 2-formylphenyl to produce benzaldehyde. Along with the reaction mechanisms and their barrier heights, all reaction steps are considered for kinetic modelling in the temperature range 498-698 K with 50 K intervals. The rate constants, pre-exponential factors, and equilibrium constants of all elementary reaction steps are evaluated for each temperature. Kinetic analyses of the catalytic conversion of 2-HB over the Pd(111) surface suggests the production of phenol as an intermediate, instead of benzaldehyde, via dehydrogenation of the formyl group of 2-HB as a first elementary reaction step because of its low activation barrier and the high rate constant of the rate controlling step. Furthermore, the equilibrium constants of the rate controlling step in the production of phenol from 2-HB over the Pd(111) surface report a major fraction of the product in the product mixture even at a low temperature of 498 K.

Micro heat barrier

DOEpatents

Marshall, Albert C.; Kravitz, Stanley H.; Tigges, Chris P.; Vawter, Gregory A.

2003-08-12

A highly effective, micron-scale micro heat barrier structure and process for manufacturing a micro heat barrier based on semiconductor and/or MEMS fabrication techniques. The micro heat barrier has an array of non-metallic, freestanding microsupports with a height less than 100 microns, attached to a substrate. An infrared reflective membrane (e.g., 1 micron gold) can be supported by the array of microsupports to provide radiation shielding. The micro heat barrier can be evacuated to eliminate gas phase heat conduction and convection. Semi-isotropic, reactive ion plasma etching can be used to create a microspike having a cusp-like shape with a sharp, pointed tip (<0.1 micron), to minimize the tip's contact area. A heat source can be placed directly on the microspikes. The micro heat barrier can have an apparent thermal conductivity in the range of 10.sup.-6 to 10.sup.-7 W/m-K. Multiple layers of reflective membranes can be used to increase thermal resistance.

Dynamics of Contact Line Pinning and Depinning of Droplets Evaporating on Microribs.

PubMed

Mazloomi Moqaddam, Ali; Derome, Dominique; Carmeliet, Jan

2018-05-15

The contact line dynamics of evaporating droplets deposited on a set of parallel microribs is analyzed with the use of a recently developed entropic lattice Boltzmann model for two-phase flow. Upon deposition, part of the droplet penetrates into the space between ribs because of capillary action, whereas the remaining liquid of the droplet remains pinned on top of the microribs. In the first stage, evaporation continues until the droplet undergoes a series of pinning-depinning events, showing alternatively the constant contact radius and constant contact angle modes. While the droplet is pinned, evaporation results in a contact angle reduction, whereas the contact radius remains constant. At a critical contact angle, the contact line depins, the contact radius reduces, and the droplet rearranges to a larger apparent contact angle. This pinning-depinning behavior goes on until the liquid above the microribs is evaporated. By computing the Gibbs free energy taking into account the interfacial energy, pressure terms, and viscous dissipation due to drop internal flow, we found that the mechanism that causes the unpinning of the contact line results from an excess in Gibbs free energy. The spacing distance and the rib height play an important role in controlling the pinning-depinning cycling, the critical contact angle, and the excess Gibbs free energy. However, we found that neither the critical contact angle nor the maximum excess Gibbs free energy depends on the rib width. We show that the different terms, that is, pressure term, viscous dissipation, and interfacial energy, contributing to the excess Gibbs free energy, can be varied differently by varying different geometrical properties of the microribs. It is demonstrated that, by varying the spacing distance between the ribs, the energy barrier is controlled by the interfacial energy while the contribution of the viscous dissipation is dominant if either rib height or width is changed. Main finding of this is study is that, for microrib patterned surfaces, the energy barrier required for the contact line to depin can be enlarged by increasing the spacing or the rib height, which can be important for practical applications.

Non-Genomic Estrogen Regulation of Ion Transport and Airway Surface Liquid Dynamics in Cystic Fibrosis Bronchial Epithelium

PubMed Central

Saint-Criq, Vinciane; Kim, Sung Hoon; Katzenellenbogen, John A.; Harvey, Brian J.

2013-01-01

Male cystic fibrosis (CF) patients survive longer than females and lung exacerbations in CF females vary during the estrous cycle. Estrogen has been reported to reduce the height of the airway surface liquid (ASL) in female CF bronchial epithelium. Here we investigated the effect of 17β-estradiol on the airway surface liquid height and ion transport in normal (NuLi-1) and CF (CuFi-1) bronchial epithelial monolayers. Live cell imaging using confocal microscopy revealed that airway surface liquid height was significantly higher in the non-CF cells compared to the CF cells. 17β-estradiol (0.1–10 nM) reduced the airway surface liquid height in non-CF and CF cells after 30 min treatment. Treatment with the nuclear-impeded Estrogen Dendrimer Conjugate mimicked the effect of free estrogen by reducing significantly the airway surface liquid height in CF and non-CF cells. Inhibition of chloride transport or basolateral potassium recycling decreased the airway surface liquid height and 17β-estradiol had no additive effect in the presence of these ion transporter inhibitors. 17β-estradiol decreased bumetanide-sensitive transepithelial short-circuit current in non-CF cells and prevented the forskolin-induced increase in ASL height. 17β-estradiol stimulated an amiloride-sensitive transepithelial current and increased ouabain-sensitive basolateral short-circuit current in CF cells. 17β-estradiol increased PKCδ activity in CF and non-CF cells. These results demonstrate that estrogen dehydrates CF and non-CF ASL, and these responses to 17β-estradiol are non-genomic rather than involving the classical nuclear estrogen receptor pathway. 17β-estradiol acts on the airway surface liquid by inhibiting cAMP-mediated chloride secretion in non-CF cells and increasing sodium absorption via the stimulation of PKCδ, ENaC and the Na+/K+ATPase in CF cells. PMID:24223826

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.

Correction of localized shape errors on optical surfaces by altering the localized density of surface or near-surface layers

DOEpatents

Taylor, John S.; Folta, James A.; Montcalm, Claude

2005-01-18

Figure errors are corrected on optical or other precision surfaces by changing the local density of material in a zone at or near the surface. Optical surface height is correlated with the localized density of the material within the same region. A change in the height of the optical surface can then be caused by a change in the localized density of the material at or near the surface.

From density to interface fluctuations: The origin of wavelength dependence in surface tension

NASA Astrophysics Data System (ADS)

Hiester, Thorsten

2008-12-01

The height-height correlation function for a fluctuating interface between two coexisting bulk phases is derived by means of general equilibrium properties of the corresponding density-density correlation function. A wavelength-dependent surface tension γ(q) can be defined and expressed in terms of the direct correlation function c(r,r') , the equilibrium density profile ρ0(r) , and an operator which relates density to surface configurations. Neither the concept of an effective interface Hamiltonian nor the difference in pressure is needed to determine the general structure of the height-height correlations or γ(q) , respectively. This result generalizes the Mecke-Dietrich surface tension γMD(q) [Phys. Rev. E 59, 6766 (1999)] and modifies recently published criticism concerning γMD(q) [Tarazona, Checa, and Chacón, Phys. Rev. Lett. 99, 196101 (2007)].

Direct numerical simulation of flow over dissimilar, randomly distributed roughness elements: A systematic study on the effect of surface morphology on turbulence

NASA Astrophysics Data System (ADS)

Forooghi, Pourya; Stroh, Alexander; Schlatter, Philipp; Frohnapfel, Bettina

2018-04-01

Direct numerical simulations are used to investigate turbulent flow in rough channels, in which topographical parameters of the rough wall are systematically varied at a fixed friction Reynolds number of 500, based on a mean channel half-height h and friction velocity. The utilized roughness generation approach allows independent variation of moments of the surface height probability distribution function [thus root-mean-square (rms) surface height, skewness, and kurtosis], surface mean slope, and standard deviation of the roughness peak sizes. Particular attention is paid to the effect of the parameter Δ defined as the normalized height difference between the highest and lowest roughness peaks. This parameter is used to understand the trends of the investigated flow variables with departure from the idealized case where all roughness elements have the same height (Δ =0 ). All calculations are done in the fully rough regime and for surfaces with high slope (effective slope equal to 0.6-0.9). The rms roughness height is fixed for all cases at 0.045 h and the skewness and kurtosis of the surface height probability density function vary in the ranges -0.33 to 0.67 and 1.9 to 2.6, respectively. The goal of the paper is twofold: first, to investigate the possible effect of topographical parameters on the mean turbulent flow, Reynolds, and dispersive stresses particularly in the vicinity of the roughness crest, and second, to investigate the possibility of using the wall-normal turbulence intensity as a physical parameter for parametrization of the flow. Such a possibility, already suggested for regular roughness in the literature, is here extended to irregular roughness.

Quantum Chemical Evaluation of the Astrochemical Significance of Reactions between S Atom and Acetylene or Ethylene

NASA Technical Reports Server (NTRS)

Woon, David E.

2007-01-01

Addition-elimination reactions of S atom in its P-3 ground state with acetylene (C2H2) and ethylene (C2H4) were characterized with both molecular orbital and density functional theory calculations employing correlation consistent basis sets in order to assess the likelihood either reaction might play a general role in astrochemistry or a specific role in the formation of S2 (X (sup 3 SIGMA (sub g) (sup -)) via a mechanism proposed by Saxena and Misra (Mon. Not. R. Astron. Soc. 1995, 272, 89). The acetylene and ethylene reactions proceed through C2H2S ((sup 3)A")) and C2H4S ((sup 3)A")) intermediates, respectively, to yield HCCS ((sup 2)II)) and C2H3S ((sup 2)A')). Substantial barriers were found in the exit channels for every combination of method and basis set considered in this work, which effectively precludes hydrogen elimination pathways for both S + C2H2 and S + C2H4 in the ultracold interstellar medium where only very modest barriers can be surmounted and processes without barriers tend to predominate. However, if one or both intermediates is formed and stabilized efficiently under cometary or dense interstellar cloud conditions, they could serve as temporary reservoirs for S atom and participate in reactions such as S + C2H2S (right arrow) S2 = C2H2 or S + C2H4S (right arrow) S2 + C2H4. For formation and stabilization to be efficient, the reaction must possess a barrier height small enough to be surmountable at low temperatures yet large enough to prevent redissociation to reactants. Barrier heights computed with B3LYP and large basis sets are very low, but more rigorous QCISD(T) and RCCSD(T) results indicate that the barrier heights are closer to 3-4 kcal/mol. The calculations therefore indicate that S + C2H2 or S + C2H4 could contribute to the formation of S2 in comets and may serve as a means to gauge coma temperature. The energetics of the ethylene reaction are more favorable.

[Effects of mulberry/soybean intercropping on the plant growth and rhizosphere soil microbial number and enzyme activities].

PubMed

Hu, Ju-Wei; Zhu, Wen-Xu; Zhang, Hui-Hui; Xu, Nan; Li, Xin; Yue, Bing-Bing; Sun, Guang-yu

2013-05-01

A root separation experiment was conducted to investigate the plant growth and rhizosphere soil microbes and enzyme activities in a mulberry/soybean intercropping system. As compared with those in plastic barrier and nylon mesh barrier treatments, the plant height, leaf number, root length, root nodule number, and root/shoot ratio of mulberry and soybean in non-barrier treatment were significantly higher, and the soybean's effective nodule number was larger. The available phosphorous content in the rhizosphere soils of mulberry and soybean in no barrier and nylon mesh barrier treatments was increased by 10.3% and 11.1%, and 5.1% and 4.6%, respectively, as compared with that in plastic barrier treatment. The microbial number, microbial diversity, and enzyme activities in the rhizosphere soils of mulberry and soybean were higher in the treatments of no barrier and nylon mesh barrier than in the treatment of plastic barrier. All the results indicated that there was an obvious interspecific synergistic effect between mulberry and soybean in the mulberry/soybean intercropping system.

Doping enhanced barrier lowering in graphene-silicon junctions

NASA Astrophysics Data System (ADS)

Zhang, Xintong; Zhang, Lining; Chan, Mansun

2016-06-01

Rectifying properties of graphene-semiconductor junctions depend on the Schottky barrier height. We report an enhanced barrier lowering in graphene-Si junction and its essential doping dependence in this paper. The electric field due to ionized charge in n-type Si induces the same type doping in graphene and contributes another Schottky barrier lowering factor on top of the image-force-induced lowering (IFIL). We confirm this graphene-doping-induced lowering (GDIL) based on well reproductions of the measured reverse current of our fabricated graphene-Si junctions by the thermionic emission theory. Excellent matching between the theoretical predictions and the junction data of the doping-concentration dependent barrier lowering serves as another evidence of the GDIL. While both GDIL and IFIL are enhanced with the Si doping, GDIL exceeds IFIL with a threshold doping depending on the as-prepared graphene itself.

Modeling Tetragonal Lysozyme Crystal Growth Rates

NASA Technical Reports Server (NTRS)

Gorti, Sridhar; Forsythe, Elizabeth L.; Pusey, Marc L.

2003-01-01

Tetragonal lysozyme 110 face crystal growth rates, measured over 5 orders of magnitude in range, can be described using a model where growth occurs by 2D nucleation on the crystal surface for solution supersaturations of c/c(sub eq) less than or equal to 7 +/- 2. Based upon the model, the step energy per unit length, beta was estimated to be approx. 5.3 +/- 0.4 x 10(exp -7) erg/mol-cm, which for a step height of 56 A corresponds to barrier of approx. 7 +/- 1 k(sub B)T at 300 K. For supersaturations of c/c(sub eq) > 8, the model emphasizing crystal growth by 2D nucleation not only could not predict, but also consistently overestimated, the highest observable crystal growth rates. Kinetic roughening is hypothesized to occur at a cross-over supersaturation of c/c(sub eq) > 8, where crystal growth is postulated to occur by a different process such as adsorption. Under this assumption, all growth rate data indicated that a kinetic roughening transition and subsequent crystal growth by adsorption for all solution conditions, varying in buffer pH, temperature and precipitant concentration, occurs for c/c(sub eq)(T, pH, NaCl) in the range between 5 and 10, with an energy barrier for adsorption estimated to be approx. 20 k(sub B)T at 300 K. Based upon these and other estimates, we determined the size of the critical surface nucleate, at the crossover supersaturation and higher concentrations, to range from 4 to 10 molecules.

Experimental and computational investigation of graphene/SAMs/n-Si Schottky diodes

NASA Astrophysics Data System (ADS)

Aydin, H.; Bacaksiz, C.; Yagmurcukardes, N.; Karakaya, C.; Mermer, O.; Can, M.; Senger, R. T.; Sahin, H.; Selamet, Y.

2018-01-01

We have investigated the effect of two different self-assembled monolayers (SAMs) on electrical characteristics of bilayer graphene (BLG)/n-Si Schottky diodes. Novel 4″bis(diphenylamino)-1, 1‧:3″-terphenyl-5‧ carboxylic acids (TPA) and 4,4-di-9H-carbazol-9-yl-1,1‧:3‧1‧-terphenyl-5‧ carboxylic acid (CAR) aromatic SAMs have been used to modify n-Si surfaces. Cyclic voltammetry (CV) and Kelvin probe force microscopy (KPFM) results have been evaluated to verify the modification of n-Si surface. The current-voltage (I-V) characteristics of bare and SAMs modified devices show rectification behaviour verifying a Schottky junction at the interface. The ideality factors (n) from ln(I)-V dependences were determined as 2.13, 1.96 and 2.07 for BLG/n-Si, BLG/TPA/n-Si and BLG/CAR/n-Si Schottky diodes, respectively. In addition, Schottky barrier height (SBH) and series resistance (Rs) of SAMs modified diodes were decreased compared to bare diode due to the formation of a compatible interface between graphene and Si as well as π-π interaction between aromatic SAMs and graphene. The CAR-based device exhibits better diode characteristic compared to the TPA-based device. Computational simulations show that the BLG/CAR system exhibits smaller energy-level-differences than the BLG/TPA, which supports the experimental findings of a lower Schottky barrier and series resistance in BLG/CAR diode.

Effect of non-parabolicity and confinement potential on exciton binding energy in a quantum well

NASA Astrophysics Data System (ADS)

Vignesh, G.; Nithiananthi, P.

2018-04-01

The effect of non-parabolicity(NP) (both conduction and valance band) on the binding energy(EB) of a ground state exciton in GaAs/AlxGa1-xAs single Quantum Well(QW) has been calculated using variational method. Confinement of a light hole(LH-CB1-X) and heavy hole(HH-CB1-X) exciton have been numerically evaluated as a function of well width and barrier heights by imposing three different confinement potentials such as square(SQW), parabolic(PQW) and triangular(TQW). Due to NP effects, EB of exciton is increasedin the narrow well region irrespective of the type of exciton, barrier height and nature of the confinement potentials applied. Non-parabolicity effect is prominent in abrupt(SQW) and linearlyvarying(TQW) confinement potentials. All these effects are attributed to be an inter-play between the Coulombic interaction and NP effects among the subband structures.

Computational study of the reactions of methanol with the hydroperoxyl and methyl radicals. 1. Accurate thermochemistry and barrier heights.

PubMed

Alecu, I M; Truhlar, Donald G

2011-04-07

The reactions of CH(3)OH with the HO(2) and CH(3) radicals are important in the combustion of methanol and are prototypes for reactions of heavier alcohols in biofuels. The reaction energies and barrier heights for these reaction systems are computed with CCSD(T) theory extrapolated to the complete basis set limit using correlation-consistent basis sets, both augmented and unaugmented, and further refined by including a fully coupled treatment of the connected triple excitations, a second-order perturbative treatment of quadruple excitations (by CCSDT(2)(Q)), core-valence corrections, and scalar relativistic effects. It is shown that the M08-HX and M08-SO hybrid meta-GGA density functionals can achieve sub-kcal mol(-1) agreement with the high-level ab initio results, identifying these functionals as important potential candidates for direct dynamics studies on the rates of these and homologous reaction systems.

Ferroelectric-Domain-Patterning-Controlled Schottky Junction State in Monolayer MoS 2

DOE PAGES

Xiao, Zhiyong; Song, Jingfeng; Ferry, David K.; ...

2017-06-08

Here, we exploit scanning probe controlled domain patterning in a ferroelectric top-layer to induce nonvolatile modulation of the conduction characteristic of monolayer MoS 2 between a transistor and a junction state. In the presence of a domain wall, MoS 2 exhibits rectified I-V that is well described by the thermionic emission model. The induced Schottky barrier height Φ eff Β varies from 0.38 eV to 0.57 eV and is tunabe by a SiO 2 global back-gate, while the tuning range of Φ eff Β the barrier height depends sensitively on the conduction band tail trapping states. Our work points tomore » a new route to achieve programmable functionalities in van der Waals materials and sheds light on the critical performance limiting factors in these hybrid systems.« less

Cumulative dose 60Co gamma irradiation effects on AlGaN/GaN Schottky diodes and its area dependence

NASA Astrophysics Data System (ADS)

Sharma, Chandan; Laishram, Robert; Rawal, Dipendra Singh; Vinayak, Seema; Singh, Rajendra

2018-04-01

Cumulative dose gamma radiation effects on current-voltage characteristics of GaN Schottky diodes have been investigated. The different area diodes have been fabricated on AlGaN/GaN high electron mobility transistor (HEMT) epi-layer structure grown over SiC substrate and irradiated with a dose up to the order of 104 Gray (Gy). Post irradiation characterization shows a shift in the turn-on voltage and improvement in reverse leakage current. Other calculated parameters include Schottky barrier height, ideality factor and reverse saturation current. Schottky barrier height has been decreased whereas reverse saturation current shows an increase in the value post irradiation with improvement in the ideality factor. Transfer length measurement (TLM) characterization shows an improvement in the contact resistance. Finally, diodes with larger area have more variation in the calculated parameters due to the induced local heating effect.

Ferroelectric-Domain-Patterning-Controlled Schottky Junction State in Monolayer MoS 2

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

Xiao, Zhiyong; Song, Jingfeng; Ferry, David K.

Here, we exploit scanning probe controlled domain patterning in a ferroelectric top-layer to induce nonvolatile modulation of the conduction characteristic of monolayer MoS 2 between a transistor and a junction state. In the presence of a domain wall, MoS 2 exhibits rectified I-V that is well described by the thermionic emission model. The induced Schottky barrier height Φ eff Β varies from 0.38 eV to 0.57 eV and is tunabe by a SiO 2 global back-gate, while the tuning range of Φ eff Β the barrier height depends sensitively on the conduction band tail trapping states. Our work points tomore » a new route to achieve programmable functionalities in van der Waals materials and sheds light on the critical performance limiting factors in these hybrid systems.« less

ZnO quantum dot-doped graphene/h-BN/GaN-heterostructure ultraviolet photodetector with extremely high responsivity

NASA Astrophysics Data System (ADS)

Lu, Yanghua; Wu, Zhiqian; Xu, Wenli; Lin, Shisheng

2016-12-01

A ZnO quantum dot photo-doped graphene/h-BN/GaN-heterostructure ultraviolet photodetector with extremely high responsivity of more than 1915 A W-1 and detectivity of more than 1.02 × 1013 Jones (Jones = cm Hz1/2 W-1) has been demonstrated. The interfaced h-BN layer increases the barrier height at the graphene/GaN heterojunction, which decreases the dark current and improves the on/off current ratio of the device. The photo-doping effect increases the barrier height and carrier concentration at the graphene/h-BN/GaN heterojunction, thus the responsivity is improved from 1473 A W-1 to 1915 A W-1 and the detectivity is improved from 5.8 × 1012 to 1.0 × 1013 Jones. Moreover, all of the responsivity and detectivity values are the highest values among all the graphene-based ultraviolet photodetectors.

Using ship-borne GNSS data for geoid model validation at the Baltic Sea

NASA Astrophysics Data System (ADS)

Nordman, Maaria; Kuokkanen, Jaakko; Bilker-Koivula, Mirjam; Koivula, Hannu; Häkli, Pasi; Lahtinen, Sonja

2017-04-01

We present a study of geoid model validation using ship-borne GNSS data on the Bothnian Bay of the Baltic Sea. In autumn 2015 a dedicated gravity survey took place in the Bothnian Bay on board of the surveying vessel Airisto as a part of the FAMOS (Finalising surveys for the Baltic motorways of the sea) Freja project, which is supported by the European Commission with the Connecting Europe Facility. The gravity data was collected to test older existing gravity data in the area and to contribute to a new improved geoid model for the Baltic Sea. The raw GNSS and IMU data of the vessel were recorded in order to study the possibilities for validating geoid models at sea. In order to derive geoid heights from GNSS-measurements at sea, the GNSS measurements must first be reduced to sea level. The instant sea level, also called sea surface height, must then be modelled and removed in order to get the GNSS positions at the zero height. In theory, the resulting GNSS heights are the geoid heights, giving the distance between the ellipsoid and the geoid surface. There were altogether 46 lines measured during the campaign on the area. The 1 Hz GNSS-IMU observations were post-processed using the Applanix POSPac MMS 7.1 software. Different processing options were tested and the Single Base -solution was found to be the best strategy. There were some issues with the quality of the data and cycle slips and thus, 37 of the lines were of adequate quality for the geoid validation. The final coordinates were transferred to the coordinate systems related to the geoid models used. Translation of the processed heights to sea level was performed taking the pitch and roll effects of the vessel into account. Also the effects of static and dynamic draft (squat) were applied. For the reduction from sea surface to geoid surface, the sea surface heights were derived from tide gauge data and also from a physical model for the Baltic Sea. The residual errors between the GNSS-derived geoid heights and geoid heights from geoid models were as low as 2 mm on some lines. When the overall mean is taken from the mean of all lines, the lowest value of 2.1 cm, was achieved using a physical model for the sea surface and comparing with the NKG2015 geoid model. The NKG2015 model together with the tide gauge sea surface yield 3.1 cm. Comparing with Finnish geoid model gave 3.7 and 4.7 cm for the physical model and tide gauge surfaces, respectively. The mean standard deviations were below 5 cm, when the data was filtered with a 10 min. moving average. Thus, it can be said that with high quality GNSS solution and enough information on the coordinate systems, vessel movements and the sea surface heights, geoid heights can be recovered from GNSS observations at sea.

Fabrication and characterization of tunnel barriers in a multi-walled carbon nanotube formed by argon atom beam irradiation

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

Tomizawa, H.; Department of Applied Physics, Tokyo University of Science, 6-3-1 Niijuku, Katsushika-ku, Tokyo 125-8585; Yamaguchi, T., E-mail: tyamag@riken.jp

We have evaluated tunnel barriers formed in multi-walled carbon nanotubes (MWNTs) by an Ar atom beam irradiation method and applied the technique to fabricate coupled double quantum dots. The two-terminal resistance of the individual MWNTs was increased owing to local damage caused by the Ar beam irradiation. The temperature dependence of the current through a single barrier suggested two different contributions to its Arrhenius plot, i.e., formed by direct tunneling through the barrier and by thermal activation over the barrier. The height of the formed barriers was estimated. The fabrication technique was used to produce coupled double quantum dots withmore » serially formed triple barriers on a MWNT. The current measured at 1.5 K as a function of two side-gate voltages resulted in a honeycomb-like charge stability diagram, which confirmed the formation of the double dots. The characteristic parameters of the double quantum dots were calculated, and the feasibility of the technique is discussed.« less

Scale-dependent behavior of the foredune: Implications for barrier island response to storms and sea-level rise

NASA Astrophysics Data System (ADS)

Houser, Chris; Wernette, Phil; Weymer, Bradley A.

2018-02-01

The impact of storm surge on a barrier island tends to be considered from a single cross-shore dimension, dependent on the relative elevations of the storm surge and dune crest. However, the foredune is rarely uniform and can exhibit considerable variation in height and width at a range of length scales. In this study, LiDAR data from barrier islands in Texas and Florida are used to explore how shoreline position and dune morphology vary alongshore, and to determine how this variability is altered or reinforced by storms and post-storm recovery. Wavelet analysis reveals that a power law can approximate historical shoreline change across all scales, but that storm-scale shoreline change ( 10 years) and dune height exhibit similar scale-dependent variations at swash and surf zone scales (< 1000 m). The in-phase nature of the relationship between dune height and storm-scale shoreline change indicates that areas of greater storm-scale shoreline retreat are associated with areas of smaller dunes. It is argued that the decoupling of storm-scale and historical shoreline change at swash and surf zone scales is also associated with the alongshore redistribution of sediment and the tendency of shorelines to evolve to a more diffusive (or straight) pattern with time. The wavelet analysis of the data for post-storm dune recovery is also characterized by red noise at the smallest scales characteristic of diffusive systems, suggesting that it is possible that small-scale variations in dune height can be repaired through alongshore recovery and expansion if there is sufficient time between storms. However, the time required for dune recovery exceeds the time between storms capable of eroding and overwashing the dune. Correlation between historical shoreline retreat and the variance of the dune at swash and surf zone scales suggests that the persistence of the dune is an important control on transgression through island migration or shoreline retreat with relative sea-level rise.

Phase-Space Approach to the Tunnel Effect: A New Semiclassical Traversal Time

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

Xavier, A.L. Jr.; de Aguiar, M.A.

1997-11-01

We determine the semiclassical coherent-state propagator for a particle going through one-dimensional evolution in a simple barrier potential. The described semiclassical method makes use of complex trajectories which, by its turn, enables the definition of (real) traversal times in the complexified phase space. We then discuss the behavior of this time for a wave packet whose average energy is below the barrier height. {copyright} {ital 1997} {ital The American Physical Society}

Origin of hydrogen-inclusion-induced critical current deviation in Nb/AlOx/Al/Nb Josephson junctions

NASA Astrophysics Data System (ADS)

Hinode, Kenji; Satoh, Tetsuro; Nagasawa, Shuichi; Hidaka, Mutsuo

2010-04-01

We investigated the mechanisms that change the critical current density (Jc) of Nb/AlOx/Al/Nb Josephson junctions due to the inclusion of hydrogen in the Nb electrodes. Our investigations were performed according to three aspects: the superconductivity change, the change in thickness of the barrier layer, and the change in the barrier height due to the electronic effect. The results are as follows: (a) the hydrogen-inclusion-accompanied changes in the superconductivity parameters, such as the junction gap voltage, were much less than those of the critical current density, (b) the effect of hydrogen inclusion on Jc varied depending on the electrodes, i.e., the upper electrode above the barrier layer was the most affected, (c) the junctions with increased Ics due to hydrogen exclusion showed the identical amount of decrease in the junction resistance measured at room temperature, and (d) the hydrogen exclusion from the junction electrodes had no influence on the Nb/Al/AlOx/Al/Nb junctions, which had an extra Al layer. Based on these results we conclude that the Jc change is mainly caused by the change in junction resistance. A one order of magnitude smaller effect is caused by the superconductivity change. We believe the Jc change is caused by a Nb work function increase due to the hydrogen inclusion, resulting in an increase in barrier height.

Influence of Asymmetric Contact Form on Contact Resistance and Schottky Barrier, and Corresponding Applications of Diode.

PubMed

Zhao, Yudan; Xiao, Xiaoyang; Huo, Yujia; Wang, Yingcheng; Zhang, Tianfu; Jiang, Kaili; Wang, Jiaping; Fan, Shoushan; Li, Qunqing

2017-06-07

We have fabricated carbon nanotube and MoS 2 field-effect transistors with asymmetric contact forms of source-drain electrodes, from which we found the current directionality of the devices and different contact resistances under the two current directions. By designing various structures, we can conclude that the asymmetric electrical performance was caused by the difference in the effective Schottky barrier height (Φ SB ) caused by the different contact forms. A detailed temperature-dependent study was used to extract and compare the Φ SB for both contact forms of CNT and MoS 2 devices; we found that the Φ SB for the metal-on-semiconductor form was much lower than that of the semiconductor-on-metal form and is suitable for all p-type, n-type, or ambipolar semiconductors. This conclusion is meaningful with respect to the design and application of nanomaterial electronic devices. Additionally, using the difference in barrier height caused by the contact forms, we have also proposed and fabricated Schottky barrier diodes with a current ratio up to 10 4 ; rectifying circuits consisting of these diodes were able to work in a wide frequency range. This design avoided the use of complex chemical doping or heterojunction methods to achieve fundamental diodes that are relatively simple and use only a single material; these may be suitable for future application in nanoelectronic radio frequency or integrated circuits.

A Study on Ohmic Contact to Dry-Etched p-GaN

NASA Astrophysics Data System (ADS)

Hu, Cheng-Yu; Ao, Jin-Ping; Okada, Masaya; Ohno, Yasuo

Low-power dry-etching process has been adopted to study the influence of dry-etching on Ohmic contact to p-GaN. When the surface layer of as-grown p-GaN was removed by low-power SiCl4/Cl2-etching, no Ohmic contact can be formed on the low-power dry-etched p-GaN. The same dry-etching process was also applied on n-GaN to understand the influence of the low-power dry-etching process. By capacitance-voltage (C-V) measurement, the Schottky barrier heights (SBHs) of p-GaN and n-GaN were measured. By comparing the change of measured SBHs on p-GaN and n-GaN, it was suggested that etching damage is not the only reason responsible for the degraded Ohmic contacts to dry-etched p-GaN and for Ohmic contact formatin, the original surface layer of as-grown p-GaN have some special properties, which were removed by dry-etching process. To partially recover the original surface of as-grown p-GaN, high temperature annealing (1000°C 30s) was tried on the SiCl4/Cl2-etched p-GaN and Ohmic contact was obtained.

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.