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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Photoinduced Anomalous Coulomb Blockade and the Role of Triplet States in Electron Transport through an Irradiated Molecular Transistor

In the present study, we explore photoinduced electron transport through a molecule weakly coupled to two electrodes by combining first-principles quantum chemistry calculations with a Pauli master equation approach that accounts for many-electron states. In the incoherent limit, we demonstrate that energy-level alignment of triplet and charged states plays a crucial role, even when the rate of intersystem crossing is much smaller than the rate of fluorescence. Furthermore, the field intensity dependence and an upper bound to the photoinduced electric current can be analytically derived in our model. Under an optical field, the conductance spectra (charge stability diagrams) exhibit unusual Coulomb diamonds, which are associated with molecular excited states, and their widths can be expressed in terms of energies of the molecular electronic states. This study offers new directions for exploring optoelectronic response in nanoelectronics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Probing Electron Beam Induced Transformations on a Single-Defect Level via Automated Scanning Transmission Electron Microscopy

A robust approach for real-time analysis of the scanning transmission electron microscopy (STEM) data streams, based on ensemble learning and iterative training (ELIT) of deep convolutional neural networks, is implemented on an operational microscope, enabling the exploration of the dynamics of specific atomic configurations under electron beam irradiation via an automated experiment in STEM. Combined with beam control, this approach allows studying beam effects on selected atomic groups and chemical bonds in a fully automated mode. Here, in this study, we demonstrate atomically precise engineering of single vacancy lines in transition metal dichalcogenides and the creation and identification of topological defects in graphene. The ELIT-based approach facilitates direct on-the-fly analysis of the STEM data and engenders real-time feedback schemes for probing electron beam chemistry, atomic manipulation, and atom by atom assembly.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

In-situ transmission electron microscopy of partial-dislocation glide in 4H-SiC under electron radiation

Electron-radiation-enhanced glide of 30 Degree-Sign -Si(g) partial dislocations bringing about an expansion/shrinkage of Shockley-type stacking faults in 4H-SiC was observed in-situ by transmission electron microscopy. Geometrical kinks on 30 Degree-Sign -Si(g) partials did not migrate in the dark, indicating that the kink migration is enhanced by electron irradiation. The direction of the enhanced glide was reversible depending on the irradiation intensity, which can be interpreted in terms of a sign reversal of the driving force originating in the effective stacking fault energy variable with the irradiation intensity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Equation of motion coupled cluster methods for electron attachment and ionization potential in fullerenes C{sub 60} and C{sub 70}

In both molecular and periodic solid-state systems there is a need for the accurate determination of the ionization potential and the electron affinity for systems ranging from light harvesting polymers and photocatalytic compounds to semiconductors. The development of a Green's function approach based on the coupled cluster (CC) formalism would be a valuable tool for addressing many properties involving many-body interactions along with their associated correlation functions. As a first step in this direction, we have developed an accurate and parallel efficient approach based on the equation of motion-CC technique. To demonstrate the high degree of accuracy and numerical efficiency of our approach we calculate the ionization potential and electron affinity for C{sub 60} and C{sub 70}. Accurate predictions for these molecules are well beyond traditional molecular scale studies. We compare our results with experiments and both quantum Monte Carlo and GW calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Strain mapping at the nanoscale using precession electron diffraction in transmission electron microscope with off axis camera

Precession electron diffraction is an efficient technique to measure strain in nanostructures by precessing the electron beam, while maintaining a few nanometre probe size. Here, we show that an advanced diffraction pattern treatment allows reproducible and precise strain measurements to be obtained using a default 512 × 512 DigiSTAR off-axis camera both in advanced or non-corrected transmission electron microscopes. This treatment consists in both projective geometry correction of diffraction pattern distortions and strain Delaunay triangulation based analysis. Precision in the strain measurement is improved and reached 2.7 × 10{sup −4} with a probe size approaching 4.2 nm in diameter. This method is applied to the study of the strain state in InGaAs quantum-well (QW) devices elaborated on Si substrate. Results show that the GaAs/Si mismatch does not induce in-plane strain fluctuations in the InGaAs QW region.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Crossover of electron-electron interaction effect in Sn-doped indium oxide films

We systematically study the structures and electrical transport properties of a series of Sn-doped indium oxide (ITO) films with thickness t ranging from ∼5 to ∼53 nm. Scanning electron microscopy and x-ray diffraction results indicate that the t ≲ 16.8 nm films are polycrystalline, while those t ≳ 26.7 nm films are epitaxially grown along [100] direction. For the epitaxial films, the Altshuler and Aronov electron-electron interaction (EEI) effect governs the temperature behaviors of the sheet conductance σ{sub □} at low temperatures, and the ratios of relative change of Hall coefficient ΔR{sub H}/R{sub H} to relative change of sheet resistance ΔR{sub □}/R{sub □} are ≈2, which is quantitatively consistent with Altshuler and Aronov EEI theory and seldom observed in other systems. For those polycrystalline films, both the sheet conductance and Hall coefficient vary linearly with logarithm of temperature below several tens Kelvin, which can be well described by the current EEI theories in granular metals. We extract the intergranular tunneling conductance of each film by comparing the σ{sub □}(T) data with the predication of EEI theories in granular metals. It is found that when the tunneling conductance is less than the conductance of a single indium tin oxide (ITO) grain, the ITO film reveals granular metal characteristics in transport properties; conversely, the film shows transport properties of homogeneous disordered conductors. Our results indicate that electrical transport measurement can not only reveal the underlying charge transport properties of the film but also be a powerful tool to detect the subtle homogeneity of the film.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Transmission electron microscopy studying of structural features of NiTi B2 phase formed under pulsed electron-beam impact

By transmission electron microscopy method the evolution of structural-phase states on a depth of close to equiatomic NiTi modified layer has been studied. Modification performed by pulse impact on its surface low-energy high-current electron beam (beam energy density 10 J/sm{sup 2}, 10 pulses, pulse duration 50mks). It is established that during the treatment in the layer thickness of 8–10 μm, the melting of primary B2 phase and contained therein as Ti2Ni phase particles occurs. The result is change in the concentration ratio of titanium and nickel in the direction of increasing titanium content, which was confirmed by X-ray analysis in the form of increased unit cell parameter B2 phase. Analysis of the electron diffraction pattern showed that the modified layer is characterized as a highly distorted structure on the basis of bcc lattice. Lattice distortions are maximal near the surface and extends to a depth of melt. In subjacent layer there is gradual decline lattice distortions is observed.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Fabrication of FeSi and Fe{sub 3}Si compounds by electron beam induced mixing of [Fe/Si]{sub 2} and [Fe{sub 3}/Si]{sub 2} multilayers grown by focused electron beam induced deposition

Fe-Si binary compounds have been fabricated by focused electron beam induced deposition by the alternating use of iron pentacarbonyl, Fe(CO){sub 5}, and neopentasilane, Si{sub 5}H{sub 12} as precursor gases. The fabrication procedure consisted in preparing multilayer structures which were treated by low-energy electron irradiation and annealing to induce atomic species intermixing. In this way, we are able to fabricate FeSi and Fe{sub 3}Si binary compounds from [Fe/Si]{sub 2} and [Fe{sub 3}/Si]{sub 2} multilayers, as shown by transmission electron microscopy investigations. This fabrication procedure is useful to obtain nanostructured binary alloys from precursors which compete for adsorption sites during growth and, therefore, cannot be used simultaneously.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Photodissociation of aqueous I3− observed with liquid-phase ultrafast mega-electron-volt electron diffraction

Developing femtosecond resolution methods for directly observing structural dynamics is critical to understanding complex photochemical reaction mechanisms in solution. We have used two recent developments, ultrafast mega-electron-volt electron sources and vacuum compatible sub-micron thick liquid sheet jets, to enable liquid-phase ultrafast electron diffraction (LUED). We have demonstrated the viability of LUED by investigating the photodissociation of tri-iodide initiated with a 400 nm laser pulse. This has enabled the average speed of the bond expansion to be measured during the first 750 fs of dissociation and the geminate recombination to be directly captured on the picosecond time scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Proton form factors and two-photon exchange in elastic electron-proton scattering

Proton electromagnetic form factors are among the most important sources of information about the internal structure of the proton. Two different methods for measuring these form factors, the method proposed by Rosenbluth and the polarization-transfer method, yield contradictory results. It is assumed that this contradiction can be removed upon taking into account the hard part of the contribution of two-photon exchange to the cross section for elastic electron-proton scattering. This contribution can measured experimentally via a precision comparison of the cross sections for the elastic scattering of positrons and electrons on protons. Such a measurement, performed at the VEPP-3 storage ring in Novosibirsk at the beam energies of 1.6 and 1.0 GeV for positron (electron) scattering angles in the ranges of θ{sub e} = 15°–25° and 55°–75° in the first case and in the range of θ{sub e} = 65°–105° in the second case is described in the present article. Preliminary results of this experiment and their comparison with theoretical predictions are described.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Effects of the electron-electron interaction in the spin resonance in 2D systems with Dresselhaus spin-orbit coupling

The effect of the electron-electron interaction on the spin-resonance frequency in two-dimensional electron systems with Dresselhaus spin-orbit coupling is investigated. The oscillatory dependence of many-body corrections on the magnetic field is demonstrated. It is shown that the consideration of many-body interaction leads to a decrease or an increase in the spin-resonance frequency, depending on the sign of the g factor. It is found that the term cubic in quasimomentum in Dresselhaus spin-orbit coupling partially decreases exchange corrections to the spin resonance energy in a two-dimensional system.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Parallel electron heating in the magnetospheric inflow region: Electron Heating in Reconnection

We analyzed 20 reconnection events observed by the Magnetosphere MultiScale mission, finding that in a subregion of the magnetospheric inflow, the electron temperature parallel to the magnetic field (T e|| ) decreases toward the separatrix with increasing densities. Such Te|| variation is not consistent with the heating through the parallel potential mechanism for magnetospheric electrons. Associated with the change in T e|| , low-energy gyrotropic magnetosheath-like electrons are observed. These electrons may come from the magnetosheath, penetrate to the magnetospheric side possibly due to waves in the lower hybrid frequency range, and do not experience as much energization as those from deeper in the magnetosphere. In addition, as T e|| decreases, the high-energy field-aligned phase-space densities decrease or fluctuate significantly over time. Wave-particle interaction might produce energy conversion and cause the high-energy phase-space density variations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Silk Flexible Electronics: From Bombyx mori Silk Ag Nanoclusters Hybrid Materials to Mesoscopic Memristors and Synaptic Emulators

Functionalization of flexible materials based on mesoscopic reconstruction is a key strategy in fabricating biocompatible flexible electronics. This work is to acquire new mesoscopic bioelectronic hybrid materials of silk fibroin (SF)-Ag nanoclusters (AgNCs@BSA; BSA: bovine serum albumin), which enhance significantly the performance of silk memristors. It is to build AgNCs@BSA into SF mesoscopic networks by templated ß-crystallization. Atomic force microscopy potential probing indicates that AgNCs@BSA serve as electronic potential wells that change completely the transport behavior of charge particles within the SF films. This leads to significant enhancement in the switching speed (˜10 ns), very good switching stability, extremely low set/reset voltages (0.3/-0.18 V) of SF meso-hybrid memristors, compared with the original and other organic memristors, and displays unique synapse characteristics and the capability of synapse learning. Classical density functional theory Poisson–Nernst–Planck simulations indicate that the enhanced performance is subject to the low potential paths interconnecting the AgNCs@BSA, which guide charges' transport (Ag+) and deposition in SF films.

Shi, Chenyang↗
DOE OSTI2018

Electronic Structure and Band Alignment of LaMnO 3 /SrTiO 3 Polar/Nonpolar Heterojunctions

The behavior of polar LaMnO3 (LMO) thin films deposited epitaxially on non-polar SrTiO3(001) (STO) is dictated by both the LMO/STO band alignment and the chemistry of the Mn cation. Using in situ x-ray photoelectron spectros-copy (XPS), we directly measure the valence band offset (VBO) of LMO/STO heterojunctions as a function of thickness, and find that the VBO is 2.5 eV for thicker (= 3 u.c.) films. We find no evidence of a built-in potential in LMO films of any thickness. Measurements of the Mn valence by Mn L-edge x-ray absorption spectroscopy (XAS) and by spatially-resolved electron energy loss spectra in scanning transmission electron microscopy images (STEM-EELS) reveal that Mn2+ is present at the LMO surface, but not at the LMO/STO interface. These results are corroborated by DFT simula-tions that confirm a VBO of approximately 2.5 eV for both ideal and intermixed interfaces. We propose a model for the behavior of polar / non-polar LMO/STO heterojunctions in which the built-in potential is alleviated by the formation of oxygen vacancies at the LMO surface.

Kaspar, Tiffany C.↗