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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Interference in electron–molecule elastic scattering

General formulas describing the multiple scattering of electron by polyatomic molecules have been derived within the framework of the model of non-overlapping atomic potentials. These formulas are applied to different carbon molecules, both for fixed-in-space and randomly oriented molecules. Here, the molecular continuum wave function is represented as a plane wave plus a linear combination of the Green’s functions for free motion and the derivatives of these functions. Far from the target the electron spherical waves interfere as in the case of the Young’s double slits experiment. This interference manifests itself as diffraction oscillations in the differential and total cross sections for elastic electron scattering. The amplitude of electron scattering by a molecule is defined by the phase shifts for each of the atoms forming the target and its geometry. The numerical calculation of the scattering amplitude in closed form (rather than in the form of S-matrix expansion) is reduced to solving a system of algebraic equations. The number of atoms in a molecule and the atomic phase shifts for the orbital angular momenta included in the calculation define the number of equations.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

The electronics and data acquisition system for the DarkSide-50 veto detectors

DarkSide-50 is a detector for dark matter candidates in the form of weakly interacting massive particles. It utilizes a liquid argon time projection chamber for the inner main detector, surrounded by a liquid scintillator veto (LSV) and a water Cherenkov veto detector (WCV). The LSV and WCV act as the neutron and cosmogenic muon veto detectors for DarkSide-50. This paper describes the electronics and data acquisition system used for these two detectors. The system is made of a custom built front end electronics and commercial National Instruments high speed digitizers. The front end electronics, the DAQ, and the trigger system have been used to acquire data in the form of zero-suppressed waveform samples from the 110 PMTs of the LSV and the 80 PMTs of the WCV. The veto DAQ system has proven its performance and reliability. This electronics and DAQ system can be scaled and used as it is for the veto of the next generation DarkSide-20k detector.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Measuring recoiling nucleons from the nucleus with the future Electron Ion Collider

Short range correlated nucleon-nucleon (NN) pairs are an important part of the nuclear ground state. They are typically studied by scattering an electron from one nucleon in the pair and detecting its spectator correlated partner (spectator-nucleon tagging). The Electron Ion Collider (EIC)should be able to detect these nucleons, since they are boosted to high momentum in the lab frame by the momentum of the ion beam. To determine the feasibility of these studies with the planned EIC detector configuration, we have simulated quasi-elastic scattering for two electron and ion beam energy configurations: 5 GeV electrons and 41 GeV/A ions, and 10 GeV electrons and 110 GeV/A ions. We show that the knocked-out and recoiling nucleons can be detected over a wide range of initial nucleon momenta. We also show that these measurements can achieve much larger momentum transfers than current fixed target experiments. By detecting both low and high initial-momentum nucleons,the EIC will provide the data that should allow scientists to definitively show if the EMC effect and short-range correlation are connected, and to improve our understanding of color transparency

Hauenstein, F. (ORCID:0000000212652212)↗
DOE OSTI2018

Dispersion-Based Fresh-Slice Scheme for Free-Electron Lasers

The fresh-slice technique improved the performance of several self-amplified spontaneous emission free-electron laser schemes by granting selective control on the temporal lasing slice without spoiling the other electron bunch slices. So far, the implementation has required a special insertion device to create the beam yaw, called a dechirper. Finally, we demonstrate a novel scheme to enable fresh-slice operation based on electron energy chirp and orbit dispersion that can be implemented at any free-electron laser facility without additional hardware.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

The structure of PccH from Geobactersulfurreducens-a novel low reduction potential monoheme cytochrome essential for accepting electrons from an electrode

The structure of cytochrome c (GSU3274) designated as PccH from Geobactersulfurreducens was determined at a resolution of 2.0 angstrom. PccH is a small (15kDa) cytochrome containing one c-type heme, found to be essential for the growth of G.sulfurreducens with respect to accepting electrons from graphite electrodes poised at -300mV versus standard hydrogen electrode. with fumarate as the terminal electron acceptor. The structure of PccH is unique among the monoheme cytochromes described to date. The structural fold of PccH can be described as forming two lobes with the heme sandwiched in a cleft between the two lobes. In addition, PccH has a low reduction potential of -24mV at pH7, which is unusual for monoheme cytochromes. Based on difference in structure, together with sequence phylogenetic analysis, we propose that PccH can be regarded as a first characterized example of a new subclass of class I monoheme cytochromes. The low reduction potential of PccH may enable the protein to be redox active at the typically negative potential ranges encountered by G. sulfurreducens. Because PccH is predicted to be located in the periplasm of this bacterium, it could not be involved in the first step of accepting electrons from the electrode but is very likely involved in the downstream electron transport events in the periplasm.

Dantas, Joana↗
DOE OSTI2013

Higher-order harmonic effect of a three-dimensional helical wiggler on the Larmor rotation of the equilibrium electrons in a free-electron laser with a positive or a reversed guide magnetic field

Analytical formulas of the Larmor rotation are derived in detail for the equilibrium electrons motion in a free-electron laser with combination of a three-dimensional (3-D) helical wiggler and a positive or a reversed guide magnetic field. Generally, the Larmor radius in the configuration of a reversed guide field is much smaller than that in a positive guide field. At non-resonance, a helical orbit governed by the zero-order component of a 3-D wiggler field could hold; meanwhile, the higher-harmonic effect definitely influences those electrons with off-axis guiding centers and induces the electron-beam spreads. At resonance, the Larmor radius in the configuration of a positive guide field has a singularity with a limit tending to infinite, which causes all the electrons to hit the waveguide wall before the exit of the wiggler. Although Larmor-radius singularity does not exist in the configuration of a reversed guide field, at anti-resonance, the first-order harmonic of a 3-D wiggler field induces a transverse displacement which rapidly grows in proportion to a square of time, and leads part of the electron beam to hit the waveguide wall before reaching the wiggler exit, which depends on the specific parameters of the individual electrons. The analytical conclusions derived in the present paper are examined by the nonlinear simulations and the experimental observation. Disagreement with the previous literatures is discussed in detail.

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

Electron energy distribution function by using probe method in electron cyclotron resonance multicharged ion source

We are constructing a tandem type electron cyclotron resonance (ECR) ion source (ECRIS). High-energy electrons in ECRIS plasma affect electron energy distribution and generate multicharged ion. In this study, we measure electron energy distribution function (EEDF) of low energy region (≦100 eV) in ECRIS plasma at extremely low pressures (10{sup −3}–10{sup −5} Pa) by using cylindrical Langmuir probe. From the result, it is found that the EEDF correlates with the electron density and the temperature from the conventional probe analysis. In addition, we confirm that the tail of EEDF spreads to high energy region as the pressure rises and that there are electrons with high energy in ECR multicharged ion source plasma. The effective temperature estimated from the experimentally obtained EEDF is larger than the electron temperature obtained from the conventional method.

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

Spin decoherence in n-type GaAs: The effectiveness of the third-body rejection method for electron-electron scattering

We study the spin decoherence in n-type bulk GaAs for moderate electronic densities at room temperature using the Ensemble Monte Carlo method. We demonstrate that a technique called “third-body rejection method” devised by B. K. Ridley, J. Phys. C: Solid State Phys. 10, 1589 (1977) can be successfully adapted to Ensemble Monte Carlo method and used to tackle the problem of the electron-electron contribution to spin decoherence in the parameter region under study, where the electron-electron interaction can be reasonably described by a Yukawa potential. This scattering technique is employed in a doping region where one can expect that multiple collisions may play a role in carrier dynamics. By this technique, we are able to calculate spin relaxation times which are in very good agreement with the experimental results found by Oertel et al., Appl. Phys. Lett. 93, 13 (2008). Through this method, we show that the electron-electron scattering is overestimated in Born approximation, in agreement with previous results obtained by C. A. Kukkonen and H. Smith, Phys. Rev. B 8, 4601 (1973).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

First test of BNL electron beam ion source with high current density electron beam

A new electron gun with electrostatic compression has been installed at the Electron Beam Ion Source (EBIS) Test Stand at BNL. This is a collaborative effort by BNL and CERN teams with a common goal to study an EBIS with electron beam current up to 10 A, current density up to 10,000 A/cm{sup 2} and energy more than 50 keV. Intensive and pure beams of heavy highly charged ions with mass-to-charge ratio < 4.5 are requested by many heavy ion research facilities including NASA Space Radiation Laboratory (NSRL) at BNL and HIE-ISOLDE at CERN. With a multiampere electron gun, the EBIS should be capable of delivering highly charged ions for both RHIC facility applications at BNL and for ISOLDE experiments at CERN. Details of the electron gun simulations and design, and the Test EBIS electrostatic and magnetostatic structures with the new electron gun are presented. The experimental results of the electron beam transmission are given.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

Secondary electron imaging of monolayer materials inside a transmission electron microscope

A scanning transmission electron microscope equipped with a backscattered and secondary electron detector is shown capable to image graphene and hexagonal boron nitride monolayers. Secondary electron contrasts of the two lightest monolayer materials are clearly distinguished from the vacuum level. A signal difference between these two materials is attributed to electronic structure differences, which will influence the escape probabilities of the secondary electrons. Our results show that the secondary electron signal can be used to distinguish between the electronic structures of materials with atomic layer sensitivity, enhancing its applicability as a complementary signal in the analytical microscope.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Electron-phonon relaxation and excited electron distribution in gallium nitride

We develop a theory of energy relaxation in semiconductors and insulators highly excited by the long-acting external irradiation. We derive the equation for the non-equilibrium distribution function of excited electrons. The solution for this function breaks up into the sum of two contributions. The low-energy contribution is concentrated in a narrow range near the bottom of the conduction band. It has the typical form of a Fermi distribution with an effective temperature and chemical potential. The effective temperature and chemical potential in this low-energy term are determined by the intensity of carriers' generation, the speed of electron-phonon relaxation, rates of inter-band recombination, and electron capture on the defects. In addition, there is a substantial high-energy correction. This high-energy “tail” largely covers the conduction band. The shape of the high-energy “tail” strongly depends on the rate of electron-phonon relaxation but does not depend on the rates of recombination and trapping. We apply the theory to the calculation of a non-equilibrium distribution of electrons in an irradiated GaN. Probabilities of optical excitations from the valence to conduction band and electron-phonon coupling probabilities in GaN were calculated by the density functional perturbation theory. Our calculation of both parts of distribution function in gallium nitride shows that when the speed of the electron-phonon scattering is comparable with the rate of recombination and trapping then the contribution of the non-Fermi “tail” is comparable with that of the low-energy Fermi-like component. So the high-energy contribution can essentially affect the charge transport in the irradiated and highly doped semiconductors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Effects of nonextensivity on the electron-acoustic solitary structures in a magnetized electron−positron−ion plasma

Obliquely propagating electron-acoustic solitary waves (EASWs) in a magnetized electron−positron−ion plasma (containing nonextensive hot electrons and positrons, inertial cold electrons, and immobile positive ions) are precisely investigated by deriving the Zakharov–Kuznetsov equation. It is found that the basic features (viz. polarity, amplitude, width, phase speed, etc.) of the EASWs are significantly modified by the effects of the external magnetic field, obliqueness of the system, nonextensivity of hot positrons and electrons, ratio of the hot electron temperature to the hot positron temperature, and ratio of the cold electron number density to the hot positron number density. The findings of our results can be employed in understanding the localized electrostatic structures and the characteristics of EASWs in various astrophysical plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Quasi-two-dimensional electron gas at the interface of γ-Al{sub 2}O{sub 3}/SrTiO{sub 3} heterostructures grown by atomic layer deposition

We report the formation of a quasi-two-dimensional electron gas (2-DEG) at the interface of γ-Al{sub 2}O{sub 3}/TiO{sub 2}-terminated SrTiO{sub 3} (STO) grown by atomic layer deposition (ALD). The ALD growth of Al{sub 2}O{sub 3} on STO(001) single crystal substrates was performed at temperatures in the range of 200–345 °C. Trimethylaluminum and water were used as co-reactants. In situ reflection high energy electron diffraction, ex situ x-ray diffraction, and ex situ cross-sectional transmission electron microscopy were used to determine the crystallinity of the Al{sub 2}O{sub 3} films. As-deposited Al{sub 2}O{sub 3} films grown above 300 °C were crystalline with the γ-Al{sub 2}O{sub 3} phase. In situ x-ray photoelectron spectroscopy was used to characterize the Al{sub 2}O{sub 3}/STO interface, indicating that a Ti{sup 3+} feature in the Ti 2p spectrum of STO was formed after 2–3 ALD cycles of Al{sub 2}O{sub 3} at 345 °C and even after the exposure to trimethylaluminum alone at 300 and 345 °C. The interface quasi-2-DEG is metallic and exhibits mobility values of ∼4 and 3000 cm{sup 2} V{sup −1} s{sup −1} at room temperature and 15 K, respectively. The interfacial conductivity depended on the thickness of the Al{sub 2}O{sub 3} layer. The Ti{sup 3+} signal originated from the near-interfacial region and vanished after annealing in an oxygen environment.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Freeze It or Leave It? Evaluating the Role of Cryo-Electron Microscopy in Battery Research

Cryogenic electron microscopy (cryo-EM) continues to gain prominence in materials science, particularly in battery research where it has enabled high-resolution, multimodal characterization of electrode materials and interfaces that otherwise degrade quickly under electron beam irradiation. But as anyone who has attempted cryo-EM techniques knows, freezing comes at a cost; cryo-EM experiments are time-consuming, highly sensitive, and carry an increased risk of artifacts due to issues such as frost contamination. Thus, when planning new characterization of battery materials or other beam-sensitive samples, it is critical to consider whether (and which) cryo-EM techniques are appropriate, based on study goals and an understanding of electron beam-sample interactions. Here we review such considerations for battery materials to elucidate the questions of when, why, and how to freeze to achieve high-quality characterization.

25 ENERGY STORAGE↗
DOE OSTI2016

Spatial Resolution in Scanning Electron Microscopy and Scanning Transmission Electron Microscopy Without a Specimen Vacuum Chamber

Abstract A long-standing goal of electron microscopy has been the high-resolution characterization of specimens in their native environment. However, electron optics require high vacuum to maintain an unscattered and focused probe, a challenge for specimens requiring atmospheric or liquid environments. Here, we use an electron-transparent window at the base of a scanning electron microscope’s objective lens to separate column vacuum from the specimen, enabling imaging under ambient conditions, without a specimen vacuum chamber. We demonstrate in-air imaging of specimens at nanoscale resolution using backscattered scanning electron microscopy (airSEM) and scanning transmission electron microscopy. We explore resolution and contrast using Monte Carlo simulations and analytical models. We find that nanometer-scale resolution can be obtained at gas path lengths up to 400 μ m, although contrast drops with increasing gas path length. As the electron-transparent window scatters considerably more than gas at our operating conditions, we observe that the densities and thicknesses of the electron-transparent window are the dominant limiting factors for image contrast at lower operating voltages. By enabling a variety of detector configurations, the airSEM is applicable to a wide range of environmental experiments including the imaging of hydrated biological specimens and in situ chemical and electrochemical processes.

Nguyen, Kayla X. (ORCID:0000000192537064)↗
DOE OSTI2019

Conjugated Macrocycles in Organic Electronics

This Account describes a body of research on the design, synthesis, and application of a new class of electronic materials made from conjugated macrocycles. Our macrocyclic design takes into consideration the useful attributes of fullerenes and what properties make fullerenes efficient n-type materials. We identified four electronic and structural elements: (1) a three-dimensional shape; (2) a conjugated and delocalized π-space; (3) the presence of an interior and exterior to the π-surface; and (4) low-energy unoccupied molecular orbitals allowing them to accept electrons. The macrocyclic design incorporates some of these properties, including a three-dimensional shape, an interior/exterior to the π-surface, and low-lying LUMOs maintaining the n-type semiconducting behavior, yet we also install synthetic flexibility in our approach in order to tune the properties further. Each of the macrocycles comprises perylenediimide cores wound together with linkers. The perylenediimide building block endows each macrocycle with the ability to accept electrons, while the synthetic flexibility to install different linkers allows us to create macrocycles with different electronic properties and sizes. We have created three macrocycles that all absorb well into the visible range of the solar spectrum and possess different shapes and sizes. We then use these materials in an array of applications that take advantage of their ability to function as n-type semiconductors, absorb in the visible range of the solar spectrum, and possess intramolecular cavities. This Account will discuss our progress in incorporating these new macrocycles in organic solar cells, organic photodetectors, organic field effect transistors, and sensors. The macrocycles outperform acyclic controls in organic solar cells. We find the more rigid macrocyclic structure results in less intrinsic charges and lower dark current in organic photodetectors. Our macrocyclic-based photodetector has the highest detectivity of non-fullerene acceptors. The macrocycles also function as sensors and are able to recognize nuanced differences in analytes. Perylenediimide-based fused oligomers are efficient materials in both organic solar cells and field effect transistors. Here, we will use the oligomers to construct macrocycles for use in solar energy conversion. In addition, we will incorporate different electron-rich linkers in our cycles in an attempt to engineer the HOMO/LUMO gap further. Looking further into the future, we envision opportunities in applying these conjugated macrocycles as electronic host/guest materials, as concatenated electronic materials by threading the macrocycles with electroactive oligomers, and as a locus for catalysis that is driven by light and electric fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Electrochemical Oxidation of Organic Molecules at Lower Overpotential: Accessing Broader Functional Group Compatibility with Electron-Proton Transfer Mediators

CONSPECTUS: Electrochemical organic oxidation reactions are highly appealing because protons are often effective terminal electron acceptors, thereby avoiding undesirable stoichiometric oxidants. These reactions are often plagued by high overpotentials, however, that greatly limit their utility. Single-electron transfer (SET) from organic molecules generates high energy radical-cations. Formation of such intermediates often requires electrode potentials far above the thermodynamic potentials of the reaction and frequently causes decomposition and/or side reactions of ancillary functional groups. In this Account, we show how electrocatalytic electron-proton transfer mediators (EPTMs) address this challenge. EPTMs bypass the formation of radical-cation intermediates by supporting mechanisms that operate at electrode potentials much lower (=1 V) than analogous direct electrolysis reactions. The stable aminoxyl radical TEMPO (2,2,6,6-tetramethylpiperidine N-oxyl) is an effective mediator for electrochemical alcohol oxidation, and we have employed such processes for applications ranging from pharmaceutical synthesis to biomass conversion. A complementary electrochemical alcohol oxidation method employs a cooperative Cu/TEMPO mediator system that operates at 0.5 V lower electrode potential than the TEMPO-only mediated process. This difference, which arises from a different catalytic mechanism, rationalizes the broad functional group tolerance of Cu/TEMPO-based aerobic alcohol oxidation catalysts. Aminoxyl mediators address long-standing challenges in the "Shono oxidation", an important method for a-C–H oxidation of tertiary amides and carbamates. Shono oxidations are initiated by a high-potential SET step that limits their utility. Aminoxyl-mediated Shono-type oxidations have been developed that operate at much lower potentials and tolerate diverse functional groups. Analogous reactivity underlies a-C–H cyanation of secondary cyclic amines, a new method that enables efficient diversification of piperidine-based pharmaceutical building blocks and preparation of non-natural amino acids. Electrochemical oxidations of benzylic C–H bonds are commonly initiated by SET to generate radical cations, but such methods are again plagued by large overpotentials. Mediated electrolysis methods that promote hydrogen-atom-transfer (HAT) from benzylic C–H bonds to Fe-oxo species and phthalimide N-oxyl (PINO) support C–H oxygenation, iodination, and oxidative-coupling reactions. A complementary method merges photochemistry with electrochemistry to achieve amidation of C(sp3)–H bonds. This unique process operates at much lower overpotentials compatible with diverse functional groups. These results have broad implications for organic electrochemistry, highlighting the importance of "overpotential" considerations and the prospects for expanding synthetic utility by using mediators to bypass high-energy outer-sphere electron-transfer mechanisms. Principles demonstrated here for oxidation are equally relevant to electrochemical reductions.

Wang, Fei↗
DOE OSTI2017

Strong Electron–Phonon Coupling and Self-Trapped Excitons in the Defect Halide Perovskites A 3 M 2 I 9 (A = Cs, Rb; M = Bi, Sb)

The optical and electronic properties of Bridgman grown single crystals of the wide-bandgap semiconducting defect halide perovskites A3M2I9 (A = Cs, Rb; M = Bi, Sb) have been investigated. Intense Raman scattering was observed at room temperature for each compound, indicating high polarizability and strong electron–phonon coupling. Both low-temperature and room-temperature photoluminescence (PL) were measured for each compound. Cs3Sb2I9 and Rb3Sb2I9 have broad PL emission bands between 1.75 and 2.05 eV with peaks at 1.96 and 1.92 eV, respectively. The Cs3Bi2I9 PL spectra showed broad emission consisting of several overlapping bands in the 1.65–2.2 eV range. Evidence of strong electron–phonon coupling comparable to that of the alkali halides was observed in phonon broadening of the PL emission. Effective phonon energies obtained from temperature-dependent PL measurements were in agreement with the Raman peak energies. A model is proposed whereby electron–phonon interactions in Cs3Sb2I9, Rb3Sb2I9, and Cs3Bi2I9 induce small polarons, resulting in trapping of excitons by the lattice. The recombination of these self-trapped excitons is responsible for the broad PL emission. Rb3Bi2I9, Rb3Sb2I9, and Cs3Bi2I9 exhibit high resistivity and photoconductivity response under laser photoexcitation, indicating that these compounds possess potential as semiconductor hard radiation detector materials.

36 MATERIALS SCIENCE↗