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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Electron Diffraction Study of Epitaxial Graphene Structure Grown upon SiC (0001) Thermal Destruction in Ar Atmosphere and in High Vacuum

We have studied the structure of epitaxial graphene obtained as a result of thermal desorption of the silicon carbide surface under conditions of vacuum synthesis and in Ar medium by reflection electron diffraction. As a result of the study, a significantly more uniform buffer layer coating of the SiC surface by epitaxial graphene has been found when forming in inert medium on the surface of 4H- and 6H-SiC(0001) polytypes compared with the synthesis of graphene in high vacuum. The quality of the coating has been shown to depend on the degree of perfection of the original single crystal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Properties of the Barium–Strontium Titanate Films Deposited onto the Silicon Substrate by rf Cathode Sputtering

Using rf cathode sputtering of a target in the oxygen atmosphere, Ba{sub 0.6}Sr{sub 0.4}TiO{sub 3} solid solution thin films have been formed on the single-crystal Si(001) cut surface and their crystal structure, microstructure, and optical characteristics have been investigated. It is shown that the films are optically anisotropic, polycrystalline, and have a c axis preferred direction perpendicular to the substrate. The a and b axes in the substrate plane have no preferred direction. It has been established that, during the synthesis, a buffer layer with a thickness of about 20 nm forms between the film and substrate, which is optically equivalent to silicon oxide.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Optical suppression of defect-related photoluminescence in GeSn

Reports of photoluminescence from GeSn grown on Ge substrates by molecular beam epitaxy have been limited. We find that one limiting factor to observing photoluminescence is due to localized defect states marked by photoluminescence at 2400 nm and originating from the Ge substrate and buffer layer. In this study, we report on an optical study utilizing doped Ge(001) substrates to effectively suppress defect-related photoluminescence in GeSn layers by filling localized defect trap states. For this experiment, a GeSn layer with Sn content up to 10.5 ± 0.5% was grown on a doped Ge(001) substrate. Analysis of the physics of the photoluminescence spectrum collected from the GeSn thin film shows an emission at the expected wavelength of 2300 nm for 10.5 ± 0.5% Sn content and the absence of the typically observed defect-related signal at 2400 nm. This understanding is further confirmed using short-pulse optical excitation of the GeSn grown on undoped Ge substrates.

Chemical vapor deposition↗
DOE OSTI2016

Surface-Modified Electrodes: Enhancing Performance Guided by Insitu Spectroscopy and Microscopy

The aim of this project is to understand the nature of active sites and degradation mechanisms in solid-oxide fuel cells cathodes. Using Co and Fe-based perovskite oxides as model systems, we developed a comprehensive understanding of the active site and degradation. In particular, we correlated cation segregation, precipitation and surface reconstruction to electrochemical activity and stability. We show that in conventional materials, the most active cathodes are not the most stable ones. A novel strategy of cation segregation buffer layer was proposed and developed to overcome this limitation. A nanoscale barrier layer was inserted a few nanometer below the surface of the cathodes which prevents the cations from diffusing from the bulk to the surface. We report a LSCF-based cathode with record performance and stability, reach an impressive 0.03 Ω cm 2 at 650 °C in air. This modification strategy is expected to lead to more active and stable solid-oxide fuel cells, and ultimately lead to lower cost in commercial systems.

25 ENERGY STORAGE↗
DOE OSTI2017

X-ray Analysis of Defects and Anomalies in AGR-5/6/7 TRISO Particles

Coated particle fuel batches J52O-16-93164, 93165, 93166, 93168, 93169, 93170, and 93172 were produced by Babcock and Wilcox Technologies (BWXT) for possible selection as fuel for the Advanced Gas Reactor Fuel Development and Qualification (AGR) Program’s AGR-5/6/7 irradiation test in the Idaho National Laboratory (INL) Advanced Test Reactor (ATR), or may be used for other tests. Each batch was coated in a 150-mm-diameter production-scale fluidized-bed chemical vapor deposition (CVD) furnace. Tristructural isotropic (TRISO) coatings were deposited on 425-μm-nominal-diameter spherical kernels from BWXT lot J52R-16-69317 containing a mixture of 15.4%-enriched uranium carbide and uranium oxide (UCO), with the exception of Batch 93164, which used similar kernels from BWXT lot J52L-16-69316. The TRISO-coatings consisted of a ~50% dense carbon buffer layer with 100-μmnominal thickness, a dense inner pyrolytic carbon (IPyC) layer with 40-μm-nominal thickness, a silicon carbide (SiC) layer with 35-μm-nominal thickness, and a dense outer pyrolytic carbon (OPyC) layer with 40-μm-nominal thickness. Each coated particle batch was sieved to upgrade the particles by removing over-sized and under-sized material, and the upgraded batch was designated by appending the letter A to the end of the batch number (e.g., 93164A). Secondary upgrading by sieving was performed on the upgraded batches to remove specific anomalies identified during analysis for Defective IPyC, and the upgraded batches were designated by appending the letter B to the end of the batch number (e.g., 93165B). Following this secondary upgrading, coated particle composite J52R-16-98005 was produced by BWXT as fuel for the AGR Program’s AGR-5/6/7 irradiation test in the INL ATR. This composite was comprised of coated particle fuel batches J52O-16-93165B, 93168B, 93169B, and 93170B.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Design and Thermal Analysis for Irradiation of Pyrolytic Carbon/Silicon Carbide Diffusion Couples in the High Flux Isotope Reactor

Tristructural-isotropic (TRISO)–coated particle fuel is a promising advanced fuel concept consisting of a spherical fuel kernel made of uranium oxide and uranium carbide, surrounded by a porous carbonaceous buffer layer and successive layers of dense inner pyrolytic carbon (IPyC), silicon carbide (SiC) deposited by chemical vapor , and dense outer pyrolytic carbon (OPyC). This fuel concept is being considered for advanced reactor applications such as high temperature gas-cooled reactors (HTGRs) and molten salt reactors (MSRs), as well as for accident-tolerant fuel for light water reactors (LWRs). Development and implementation of TRISO fuel for these reactor concepts support the US Department of Energy (DOE) Office of Nuclear Energy mission to promote safe, reliable nuclear energy that is sustainable and environmentally friendly. During operation, the SiC layer serves as the primary barrier to metallic fission products and actinides not retained in the kernel. It has been observed that certain fission products are released from TRISO fuel during operation, notably, Ag, Eu, and Sr [1]. Release of these radioisotopes causes safety and maintenance concerns.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

FinalTechRep_DE_EE0007363_15

The primary objective of the project was to develop Ga 0.82 In 0.18 As (GaInAs) solar cells grown on epilayers of elemental Al. At this composition, GaInAs has a nearly optimal bandgap (1.16 eV) for a single-junction photovoltaic device. However, GaInAs lacks a convenient, lattice-matched substrate, restricting most investigations to metamorphic structures. The metal Al is, in fact, precisely lattice-matched to GaInAs in the orientation GaInAs (001)[100]||Al(001)[110]. At present, however, epi-ready Al substrates are not readily available commercially and are subject to oxidation. However, epitaxial Al buffer layers could enable control of defect generation, thermal and light management, and rapid epitaxial lift-off for ultrathin devices.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Development of High-QE GaN Photodectors for Liquid Noble Particle Detectors

Detection of the handful of photons generated when a dark matter particle interacts in a liquid Xenon detector requires a new type of photodetector with very high detection efficiency at ultraviolet wavelengths, very low radioactive backgrounds, and essentially no measureable readout noise (achieved with devices with high intrisic gain). Such devices would find wide applicability to not only high energy physics experiments, but to a number of commercial applications including, e.g., biomedical imaging of fluorescent tags. We developed photodetectors based on amorphous GaN thin film structures (photocathodes) grown by molecular beam epitaxy on quartz windows. We also developed approaches to integrate these photocathode device structures with vacuum electron multipliers. All materials and fabrication techniques were developed to minimize radioactive backgrounds in materials, so these detectors could be used for very low count rate experiments, such as the future liquid-Xenon dark matter detectors, and future liquid-Argon neutrino detectors. We demonstrated growth of very high quantum efficiency amorphous GaN cathodes grown on a number of different substrates (Stainless steel, p-Silicon) reaching detection efficiencies of 80% at 220nm. The key to this growth was to use nitrogen plasma-assistend MBEs and very low growth temperatures. We also discovered that thinner structures (e.g.,40nm a-GaN thin films) had the best performance. We successfully demonstrated techniques for the vacuum transfer of these photocathode structures to a novel chamber that used hydraulics and bellow to form a cold indium bond needed to integrate these cathodes into sealed-tube devices. A complete, stand-along, device could not be completed during this proposal period due to difficulties in growing structures on the thick quartz window. Subsequent work is aimed at addressing this difficulty, by growing a buffer layer on the quartz substrate.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2020

Safety Testing and Destructive Examination of AGR-2 UO 2 Compact 3-1-1

Post-irradiation examination and elevated-temperature safety testing are being performed on compacts from the Advanced Gas Reactor (AGR) Fuel Development and Qualification Program’s second irradiation experiment (AGR-2). The compacts in the AGR-2 irradiation experiment held either tristructural isotropic (TRISO)-coated particles containing uranium oxide fuel kernels (UO 2 ) or TRISO-coated particles containing fuel kernels with both uranium carbide and uranium oxide phases (UCO). In UO 2 TRISO particles, oxygen released by uranium fission can react with the surrounding carbon in the buffer layer to form carbon monoxide (CO). Excess CO can lead to various irradiation performance issues under certain operating conditions, such as pressure-induced fracture, kernel migration, and silicon carbide (SiC) corrosion. In UCO TRISO particles, CO formation is reduced because the chemical potential for oxidation of uranium carbide is lower than for oxidation of carbon.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Investigating Local Carrier Dynamics in PERC Patterned CdTe Solar Cells

Remarkable progress has been achieved in CdTe photovoltaics (PVs) to further improve cell performance while reducing manufacturing costs. Researchers optimized the front contact that leads the short-circuit current density (J sc ) over 31mA/cm 2 (e.g., (Zn, Mg)O buffer layer and/or alloying CdTe with Se). Reese et al. reported an open-circuit voltage (V oc ) over 1 V with group-V doped single crystal, showing the feasibility of increasing V oc in CdTe PV that is fixed to less than 900 mV in most cases. Recent studies suggested that the V oc improvement in polycrystalline CdTe PVs requires well-passivated back contact. One possible strategy is to use CdMgTe alloy (E g > 1.8 eV), where the band-gap offset (ΔE CB ≈ 0.2 eV) reflects minority carrier electrons, thereby decreasing surface recombination. Another strategy is to utilize a stable Al 2 O 3 layer as an electron reflector; experimental works confirmed the improved performance with a conformal Al 2 O 3 layer. In this configuration, the precise control of Al 2 O 3 (≈1 nm) over the entire CdTe layer is essential because the J sc greatly depends on the tunneling current. While promising, both CdMgTe and Al 2 O 3 passivation on CdTe introduce unfavorable valence band offset that blocks the hole transport. Kephart et al. proposed a patterned passixc vation layer (≈ 20 nm Al 2 O 3 ) with point contacts (≈ 3 μm in diameter) that extract hole carriers. This configuration is similar to the passive emitter and rear contact (PERC) design that has been extensively studied in Si PVs. While remarkably high carrier lifetime and photoluminescence (> 10 X) were measured, consistent improvement in V oc and efficiency in this CdTe PERC were not yet observed. At this time, it is unclear how the surface potential is distributed in the presence of patterned Al 2 O 3 reflectors and how this additional field impacts the PV performance for Cu-doped and group-V doped CdTe PERC devices. To tackle this challenge, we develop robust nanofabrication and characterization platform to study CdTe PERC devices consisting of a patterned Al 2 O 3 layer on CdSe( 1-x )Te x (Cu-doped, GrV-doped; x = 0 to 1; CST). First Solar supplies high-quality CST materials. The dark and light I-Vs under 1-sun illumination are extracted for a series of each set of devices. We perform quantitative and qualitative PV analysis for a series of Cu-doped and Gr-V doped PERC devices, showing notably different V oc changes for GrV-doped compared to Cu-doped PERC devices. This project attempts to produce individual contacts on single grains and grain boundaries to measure lateral transport. As a model system, we use a CdSe( 1-x )Te x film on glass prepared by a colossal grain growth (CGG) technique at National Renewable Research Laboratories (NREL). Our preliminary results confirm that intergranular transport is hindered by the electrical barrier formed near grain boundaries. The PERC fabrication and the lateral transport measurement platform developed in this project can easily be applied to other types of advanced CdSe( 1-x )Te x architectures to better understand local photocarrier transport, in turn, providing the fundamental knowledge to improve the performance of CdTe PVs.

14 SOLAR ENERGY↗
DOE OSTI2024

Archive of AGR-5/6/7 Particle Radiographs for Identification of Particles with Defective IPyC

As a part of fuel quality control characterization, 2D radiographs of large numbers of particles produced by the Advanced Gas Reactor Fuel Development and Qualification (AGR) Program’s AGR-5/6/7 irradiation were acquired. These radiographs were used for the identification of particles with excessive uranium dispersion from the kernel into the surrounding buffer layer caused by chlorine infiltration through a defective inner pyrolytic carbon (IPyC) layer during silicon carbide (SiC) deposition. Additional features of interest associated with fabrication anomalies were also catalogued. Raw radiography images, along with the noted defective IPyC defects found by analysis at Oak Ridge National Laboratory are reported herein.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

A New Route Toward Atomically Flat and Defect-Free Ge/SiGe Planar Heterostructures

Germanium-based planar heterostructures are emerging as versatile platforms for realizing quantum devices. In particular, planar Ge/SiGe quantum wells (QWs) host hole states with exceptionally high mobility and strong, electrically tunable spin–orbit interactions, enabling full electrical control of quantum information. A key requirement for these systems is the growth of microscopic, defect-free, atomically flat Ge QW heterostructures on relaxed or reverse-graded SiGe buffer layers, as well as on commercial Ge substrates. While several physical deposition techniques have demonstrated high-quality planar Ge/SiGe QWs, a major challenge remains: minimizing defect density typically requires high growth temperatures, which are incompatible with standard CMOS process flows. Here, we present a convenient low-temperature process for realizing high-quality planar SiGe/Ge heterostructures using a combination of thermal and electron-beam evaporation. We systematically map the effects of ex-situ and in-situ substrate preparation protocols, growth temperature, and post-deposition annealing conditions, and correlate these parameters with surface roughness and defect density. We find that in-situ oxide desorption conditions and post-annealing parameters have the most pronounced impact on improving surface quality. Under optimized conditions, we achieve atomically smooth surfaces with root-mean-square roughness σrms​ ≤ 10 Å and negligible defect density. Interestingly, thermally evaporated Ge layers exhibit oriented triangular crystallites that elongate upon post-annealing in the presence of high Ge vapor pressure. These results demonstrate that this simple, low-temperature deposition approach is a viable and effective route for achieving high-quality Ge QW heterostructures, with strong potential for scalable quantum computing and sensing applications.

Tripathi, Malvika [Fermilab] (ORCID:00000001989251↗
DOE OSTI2026

A New Route Toward Atomically Flat and Defect-Free Ge/SiGe Planar Heterostructures

Germanium-based planar heterostructures are emerging as versatile platforms for realizing quantum devices. In particular, planar Ge/SiGe quantum wells (QWs) host hole states with exceptionally high mobility and strong, electrically tunable spin–orbit interactions, enabling full electrical control of quantum information. A key requirement for these systems is the growth of microscopic, defect-free, atomically flat Ge QW heterostructures on relaxed or reverse-graded SiGe buffer layers, as well as on commercial Ge substrates. While several physical deposition techniques have demonstrated high-quality planar Ge/SiGe QWs, a major challenge remains: minimizing defect density typically requires high growth temperatures, which are incompatible with standard CMOS process flows. Here, we present a convenient low-temperature process for realizing high-quality planar SiGe/Ge heterostructures using a combination of thermal and electron-beam evaporation. We systematically map the effects of ex-situ and in-situ substrate preparation protocols, growth temperature, and post-deposition annealing conditions, and correlate these parameters with surface roughness and defect density. We find that in-situ oxide desorption conditions and post-annealing parameters have the most pronounced impact on improving surface quality. Under optimized conditions, we achieve atomically smooth surfaces with root-mean-square roughness σrms​ ≤ 10 Å and negligible defect density. Interestingly, thermally evaporated Ge layers exhibit oriented triangular crystallites that elongate upon post-annealing in the presence of high Ge vapor pressure. These results demonstrate that this simple, low-temperature deposition approach is a viable and effective route for achieving high-quality Ge QW heterostructures, with strong potential for scalable quantum computing and sensing applications.

Tripathi, Malvika [Fermilab] (ORCID:00000001989251↗
DOE OSTI2018

Morphology and Current Transport in a Thin-Film Polycrystalline Au–Zn{sub x}Cd{sub 1–x}S–Mo Structure with Wide Photosensitivity Range in the Ultraviolet and Visible Radiation Spectral Region

Studies are carried out on the morphology of the surface and photovoltaic characteristics of a thinfilm Au–Zn{sub x}Cd{sub 1–x}S–Mo structural injection photodetector with a wide photosensitivity range in the ultraviolet and visible radiation spectral regions. The composition of Zn{sub x}Cd{sub 1–x}S film in the Au–Zn{sub x}Cd{sub 1–x}S–Mo structure with a wide photosensitivity spectrum in the ultraviolet and visible spectrum, where x on the surface varies from 0.22 to 0.24, is studied. The mechanism of current transport is investigated, and the main electrophysical parameters of the semiconducting materials are determined. The use of Zn{sub x}Cd{sub 1–x}S film with a variable band gap in the thin-film heterojunction solar cells, where they are used as the buffer layer, will provide an opportunity to increase the photosensitivity of the structure in the short-wave region of the radiation spectrum, increase the value of the built-in potential, short-circuit current and value of the open-circuit voltage of the structure.

14 SOLAR ENERGY↗
DOE OSTI2025

Outflow Boundary Conditions for Turbine-Integrated Rotating Detonation Combustors

This study examines outflow boundary conditions (BCs) in computational fluid dynamics (CFD) simulations of a transition duct with and without guide vanes that converts supersonic flow exiting a rotating detonation combustor (RDC) to subsonic flow to drive a turbine. Since the flow exiting the transition duct has swirling shock waves with significant spatial and temporal variations in pressure, temperature, and Mach number, imposing proper BCs poses a challenge. To ensure all swirling shock waves exit the transition duct without creating non-physical reflected waves at its outlet, this study examined three outflow BCs: (1) the average pressure imposed at the duct’s outlet, (2) a nonreflecting BC (NRBC) with a specified average pressure imposed at the duct’s outlet, (3) the average pressure imposed at the outlet of an extension duct made up of a buffer layer and a sponge layer. This study is based on the three-dimensional, unsteady density-weighted-ensemble-averaged continuity, Navier–Stokes, and energy equations for a thermally perfect gas closed by the realizable k–ε model and “enhanced” wall functions. The results obtained show that imposing an average pressure at the transition duct’s outlet produces spurious waves that degrade the physical meaningfulness of the solution. When the NRBC was applied, swirling shock waves exited the duct’s outlet without creating spurious waves. However, its usage requires the gas to be thermally, as well as calorically, perfect, which this study shows could be a concern. By imposing the average pressure at the outlet of an extension duct, the gas does not need to be calorically perfect. The results obtained show the effects of the sponge layer’s length and coarsening ratio on damping nonuniformities in non-physical reflected waves to ensure the flow exiting the transition duct’s outlet can do so as if there are no boundaries present and has the desired average pressure—even though the BC is applied at the extension duct’s outlet.

gas turbines↗
DOE OSTI2023

Epitaxial Integration of Dirac Semimetals with Si(001)

Topological semimetals contain novel combinations of properties that make them useful in a variety of applications, including optoelectronics, spintronics and low energy computing, and catalysis. Although they have been grown with high quality as bulk single crystals, incorporation with semiconductor substrates will ultimately be required to maximize their technological reach. Here, epitaxial growth of the Dirac semimetal Cd3As2 on Si(001) is demonstrated through two routes. First, Cd3As2(112) epilayers are grown on Si(001) via an intermediate CdTe(111) buffer layer. Second, Cd3As2(112) is grown directly on Si(001). This work sets the foundation for integration of novel semimetal materials with existing CMOS technology.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Design and Performance of an InAs Quantum Dot Scintillator with Integrated Photodetector

A new scintillation material composed of InAs quantum dots (QDs) hosted within a GaAs matrix was developed, and its performance with different types of radiation is evaluated. A methodology for designing an integrated photodetector (PD) with a low defect density and that is optically matched to the QD’s emission spectrum is introduced, utilizing an engineered epitaxial InAlGaAs metamorphic buffer layer. The photoluminescence (PL) collection efficiency of the integrated PD is examined using two-dimensional scanning laser excitation. The detector response to 5.5 MeV α-particles and 122 keV photons is presented. Yields of 13 electrons/keV for α-particles and 30–60 electrons/keV for photons were observed. The energy resolution of 12% observed with α-particles was mainly limited by noise- and geometry-related optical losses. The radiation hardness of an InAs QDs hosted within GaAs and a wider band gap AlGaAs ternary alloy was studied under a 1 MeV proton implantation up to a 10 14 cm –2 dose. The integrated PL responses were compared to evaluate PL quenching due to non-radiative defects. The QDs embedded in the AlGaAs demonstrated improved radiation hardness compared to QDs in the GaAs matrix and in the InGaAs quantum wells.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Nuclear light bulb propellant heating simulation using a tungsten/argon aerosol and radiation from a dc arc surrounded by a segmented mirror cavity

Experiments were conducted to simulate radiant heating of the propellant stream of a nuclear light bulb engine to obtain high bulk exit temperatures in the flowing simulated propellant stream by absorption of large fractions of the incident thermal radiation. A high-power, vortex-stabilized dc arc within an uncooled fused silica tube was used as the radiant energy source. It was surrounded by a mirror system to increase the radiation incident on the simulated propellant. The 12.7-cm-long by 2.3-cm-wide, diverging-duct test section had a transparent front wall and a reflecting rear wall. The central stream of seeded gas, a tungsten-particle/argon aerosol, had unseeded argon buffer layers on both sides to prevent coating of the duct walls. Arc operating times were approximately 0.5 sec with power levels up to 780 kW. Bulk exit temperatures were measured using a calorimeter downstream of the duct. The maximum simulated propellant bulk exit temperature obtained was 4515 K, compared with 3860 K in previous tests, 3300 to 3700 K expected in in-reactor tests in the Nuclear Furnace, and 6660 K in the reference nuclear light bulb engine. The maximum temperature in these tests was limited primarily by the amount of radiation incident on the test section (determined by the arc operating characteristics and the effectiveness of the mirror cavity).

Klein, J. F.↗