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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Oxygen-induced Al surface segregation in Al(x)Ga(1-x)As and the effect of Y overlayers on the oxidation of the Y/Al(x)Ga(1-x)As interface

The oxidation of Al(x)Ga(1-x)As (x = 0.15, AlGaAs) was studied by AES and XPS at 350 C and different oxygen exposures (up to 5 x 10 exp 4 L). Also studied were the effects of yttrium overlayers (theta = 3 ML) on the oxidation of the AlGaAs surface. Substantial oxygen-induced Al surface segregation has been observed for both yttriated and nonyttriated AlGaAs surfaces which increased with increasing oxygen exposure. Also observed is a significant Y-enhanced oxidation of the AlGaAs surface. Oxidation of the yttriated AlGaAs surface was found to be a factor of 4 greater than that of the nonyttriated surface. Also, while oxidation of the nonyttriated AlGaAs yielded mainly Al2O(x) (x less than 3) and only little Ga2O3, the yttriated AlGaAs surface oxide layer was principally Ga2O3 and stoichiometric Al2O3. However, both the yttriated and nonyttriated surfaces were found to contain metallic As within the oxide layer.

Mesarwi, A.↗
DOE OSTI2021

Large area vertical Ga 2 O 3 Schottky diodes for X-ray detection

In this work, the Schottky barrier diodes were fabricated from a bulk Sn-doped (001) n-type Ga 2 O 3 substrate with a Si-doped epitaxial layer grown by hydride vapor phase epitaxy (HVPE), which demonstrate a good response to X-rays. Circular metal contacts with diameters ranging from 50 to 1500 um and square metal contacts ranging from 100 X 100 to 1600 X 1600 um 2 were deposited on the wafer. The devices were characterized for their electrical performance including forward current–voltage (FIV), reverse current–voltage (RIV), and capacitance-voltage (CV) measurements. The best device showed a breakdown voltage of –804 V and the devices tested had an average ideality of 1.12. The devices exhibited a clear response to X-rays even at zero bias with an experimentally observed response time 1.03 s and a linear response of detector signal to the X-ray dose rate. The experimentally observed device response time improved to 0.25 s when bias voltage is applied. The device also survived a long-term stability test of over 2 h under a constant X-ray irradiation. The sensitivity and the lower limit of detection for X-ray by Ga2O3 epitaxial Schottky detectors were discussed and determined as 43.5 C/mGy cm –2 at –200 V and 8.31 nGy Air /s, respectively.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Simultaneous Activation of CH4 and CO2 for Concerted C-C Coupling at the Oxide-Oxide Interfaces

Catalytic conversion of CO2 and CH4 to value-added platform chemicals via the direct C-C coupling provides one of the most effective routes that not only address global climate change but also alleviate the dependency on traditional fossil fuels. Herein, three oxide-on-oxide catalysts that can realize direct C-C coupling on the basis of simultaneous activation of CH4 and CO2 were investigated using density functional theory (DFT) calculations. With the formation of oxide-on-oxide interfacial sites between the substrate (In2O3) and dispersed oxides ((ZnO)3, (ZrO2)3, or Ga2O3), it is found that CO2 can be activated at the defective site of In2O3 while the C-H bond of CH4 can be simultaneously activated at the M-O pair of the supported metal oxide. In contrast to the Eley-Rideal mechanism that C-C coupling of CO2 and CH3 stabilized on Zn-doped ceria follows, the formation of a Zn-C-C-O transition state at the active centers originates from a Langmuir-Hinshelwood mechanism where the activated CO2 also enhances the dissociative adsorption of CH4. There is a linear relationship between the C-C coupling reaction energy/activation barrier and CH4 dissociation energy. The results indicate that dissociative adsorption of CH4 plays a dominant role in the direct C-C coupling, whereas the adsorption/activation of CO2 is less significant. DFT calculation results of CH4 and CO2 to acetic acid on the (ZnO)3/In2O3 catalyst surface indicates that the C-C coupling step is the kinetically most relevant step. Compared with Ga2O3/In2O3 and (ZrO2)3/In2O3 catalyst surfaces, (ZnO)3/In2O3(110) is more active for the acetic acid formation. The present work provides new mechanistic insights into the direct C-C coupling of CH4 and CO2, which would be useful to design more efficient catalyst.

CH4 activation, C-C coupling, supported oxides, In↗
DOE OSTI2025

Effect of Thermal Oxidation on the Structure, Surface Texturing, and Microstructure Evolution in Nanocrystalline Ga-O-N Films

An extensive examination of the nanoscale, crystallographic growth dynamics of the system, which is impacted by the thermal energy given to the GaN, is carried out to derive a deeper understanding of the growth kinetics, morphology and microstructure evolution, chemical bonding, and optical properties of Ga-O-N films. Thermal annealing of GaN films is performed in the temperature range of 900–1200 °C. Crystal structure, phase formation, chemical composition, surface morphology, and microstructure evolution of Ga-O-N films are investigated as a function of temperature. Increasing temperature induces surface oxidation, which results in the formation of stable β-Ga2O3 phase in the GaN matrix, where the overall film composition evolves from nitride (GaN) to oxynitride (Ga-O-N). While GaN surfaces are smooth, planar, and featureless, oxidation induced granular-to-rod shaped morphology evolution is seen with increasing temperature to 1200 °C. The considerable texturing and stability of the nanocrystalline Ga-O-N on Si substrates can be attributed to the surface and interface driven modification because of thermal treatment. Corroborating with structure and chemical changes, Raman spectroscopic analyses also indicate that the chemical bonding evolution progresses from fully Ga-N bonds to Ga-O-N. While the GaN oxidation process starts with the formation of β-Ga 2 O 3 at an annealing temperature of 1000 °C, higher annealing temperatures induce structural distortion with the potential formation of Ga-O-N bonds. The structure-phase-chemical composition correlation, which will be useful for nanocrystalline materials for selective optoelectronic applications, is established in Ga-O-N films made by thermal treatment of GaN.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Radiation Response of Ga 2 O 3 MOSFETs Probed via Focused Particle Beams

Gallium Oxide (Ga 2 O 3 ), particularly in its β-phase, is attracting lots of interest for high-power and high-voltage electronics due to its wide bandgap, high breakdown field, and thermal stability. This study investigates the radiation response of Ga 2 O 3 Metal-Oxide-Semiconductor Field-Effect Transistors (MOSFETs) under Total Ionizing Dose (TID) and Displacement Damage (DD) conditions, which are critical for applications in radiation environments. Utilizing a dual-beam Focused Ion Beam and Scanning Electron Microscope setup, microscale analysis of radiation effects on individual devices is performed. The findings reveal distinct behaviors under TID and DD + TID conditions, with TID leading to threshold voltage shifts due to trapped charges, while DD results in decreased drive current attributed to increased carrier scattering from lattice defects. Notably, it is demonstrated that the TID effect can be mitigated through dynamic threshold voltage adjustments and that the predicted TID from ions calculated by Monte Carlo simulations overestimates actual TID due to unaccounted charge yield effects. In conclusion, this research enhances the understanding of Ga2O3 MOSFETs' performance in harsh radiation environments, providing insights for the design of robust electronic devices for space and nuclear applications.

MOSFET↗
DOE OSTI2025

Effect of lithium diffusion into Ga 2 O 3 thin films

The integration of lithium based compounds (e.g., Li:NiO/Ga 2 O 3 , LiGa 5 O 8 /Ga 2 O 3 ) in Ga 2 O 3 based pn-heterojunctions raises concerns about interface stability, i.e., Li diffusion effects on Ga 2 O 3 properties. In this work the ex-situ diffusion of Li is investigated in three different Ga 2 O 3 epilayers systems [(001) κ-Ga 2 O 3 and (−201) β-Ga2O3 heteroepitaxy on (001) α-Al 2 O 3 , and (010) β-Ga 2 O 3 homoepitaxy] at relevant temperatures for the synthesis / processing of Li-based epilayers. It is here experimentally demonstrated and quantified the Li diffusion in all the investigated Ga 2 O 3 epilayers systems and Li bulk (D Li,bulk ) and 2D defects (D Li,2D ) diffusion coefficients are provided. In the case of the (010) β-Ga 2 O 3 homoepitaxial layer (nominally free of structural defects), hybrid functional theory calculations foresee a diffusion mechanism mediated by Ga vacancies (VGa). Moreover, in the (010) β-Ga 2 O 3 homo-layer a significant effect on its functional properties (e.g., additional Raman vibrational modes, induced conductivity in an otherwise insulating sample) upon the Li-diffusion process is experimentally highlighted and tentatively related to the passivation of acceptor defects (i.e., formation of V Ga -nLi complexes).

Defects↗
DOE OSTI2026

Status and new features of the topography beamline 1-BM after the Advanced Photon Source upgrade

The beamline 1-BM of the Advanced Photon Source (APS), a bending-magnet beamline with an effective X-ray beam size of ~100×4 mm2, has relatively comprehensive synchrotron topography and rocking curve imaging capabilities for characterization of crystals (particularly wide-bandgap semiconductors SiC, AlN, GaN, Ga2O3 etc). It is equipped with a white-beam topography stage for imaging large wafers up to 8 inches. It also has a double-crystal setup, of which the second stage can be used for monochromatic-beam topography. The first stage has different beam conditioners in the grazing-incidence geometry that can expand the vertical beam size from 4 to ~100 mm for double-crystal rocking curve imaging when it is combined with the second stage. Recently APS has been upgraded to a modern 4th-generation light source, and 1-BM has been recommissioned to its normal operation for general users with better performance. The upgraded APS leads to new features at 1-BM. The much smaller source size and higher X-ray coherence significantly improve the image resolution and contrast. The higher flux and brightness of the new source reduce exposure time, which mitigates the mechanical drifting and vibration issues. Here the main capabilities and status of 1-BM together with these new features are introduced.

X-ray topography↗
DOE OSTI2023

Kinetically versus thermodynamically controlled factors governing elementary pathways of GaP(111) surface oxidation

GaP and related III-V semiconductors have attracted interest as high-efficiency photoelectrochemical electrodes for solar water splitting. However, their efficacy is linked to the presence, identity, and integrity of native surface oxides, which are structurally and chemically complex and evolve during operation. Using ambient pressure X-ray photoelectron spectroscopy (APXPS) coupled with ab initio simulations, we track key chemical motifs expressed during evolution of GaP(111) surface oxides, their associated reaction kinetics, and their correlations with electronic properties. We identify two distinct thermal regimes corresponding to kinetically and thermodynamically controlled oxidation. Below 600 K, exposure to O2 generates kinetically facile Ga-O-Ga configurations, whereas higher temperatures cause activated oxygen to insert into Ga–P bonds as part of a thermodynamically driven transformation into a complex, heterogeneous 3D network of surface POx (1≤x ≤ 4) groups and Ga2O3 species, the latter of which eventually dominates upon depletion of surface phosphorus. Here our study highlights the critical competition between kinetic and thermodynamic factors during GaP oxidation, yielding insights for fabricating stable III-P-based photoelectrodes with precisely engineered surface properties.

08 HYDROGEN↗
DOE OSTI2015

Unraveling the Origin of Structural Disorder in High Temperature Transition Al2O3: Structure of θ-Al2O3

The crystallography of transition Al2O3 has been extensively studied in the past due to the advantageous properties of the oxide in catalytic and a range of other technological applications. However, existing crystallographic models are insufficient to describe the structure of many important Al2O3 polymorphs due to their highly disordered nature. In this work, we investigate structure and disorder in high-temperature treated transition Al2O3, and provide a structural description for θ-Al2O3 by using a suite of complementary imaging, spectroscopy and quantum calculation techniques. Contrary to current understanding, our high-resolution imaging shows that θ-Al2O3 is a disordered composite phase of at least two different end members. By correlating imaging and spectroscopy results with DFT calculations, we propose a model that describes θ-Al2O3 as a disordered intergrowth of two crystallographic variants at the unit cell level. One variant is based on β-Ga2O3, and the other on a monoclinic phase that is closely-related to δ-Al2O3. The overall findings and interpretations afford new insight into the origin of poor crystallinity in transition Al2O3, and also provide new perspectives on structural complexity that can emerge from intergrowth of closely related structural polymorphs.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2024

Photo-induced electron paramagnetic resonance: A means to identify defects and the defect level throughout the bandgap of ultrawide bandgap semiconductors

Ultrawide bandgap semiconductors (UWBGs) provide great promise for optical devices operating in the near to deep ultraviolet, and recently they have become a viable semiconducting material for high power electronics. From the power grid to electronic vehicles, the intention is to replace massively awkward components with the convenience of a solid state electronic “chip.” Unfortunately, the challenges faced by wide bandgap electronic materials, such as GaN and SiC, increase as the bandgap increases. A point defect, for example, can take on more charge states and energy configurations. This perspective describes a method to investigate the many charge states and their associated transitions—photo-induced electron paramagnetic resonance (photo-EPR) spectroscopy. Although not new to the study of defects in semiconductors, photo-EPR studies can probe the entire ultrawide bandgap given the appropriate light source for excitation. Examples provided here cover specific defects in UWBGs, AlN, and Ga2O3. The discussion also reminds us how the rapid pace of discovery surrounding this newest class of semiconductors is due, in part, to fundamental research studies of the past, some as far back as a century ago and some based on very different materials systems.

Physics↗
DOE OSTI2021

Theoretical Insights for Improving the Schottky-Barrier Height at the Ga2O3/Pt Interface

In this work, we study the Schottky-barrier height (SBH) at the junction between ..beta..-Ga2O3 and platinum, a system of great importance for the next generation of high-power and high-temperature electronic devices. Specifically, we obtain interfacial atomic structures at different orientations using our structure-matching algorithm and compute their SBH using electronic structure calculations based on hybrid density-functional theory.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS,P↗
DOE OSTI2020

Why Wideband Gap Needs Techno-Economics

The wideband gap community when discussing projects antidotally refers to the cost of the technology, frequently noting the higher wideband gap upfront cost in comparison to the incumbent state of art. Other technologies such as photovoltaics have embraced techno-economics analysis (TEA) as a method of analytically articulating the impacts of research advancements on system performance and lifetime costs. Our TEA shows the potential impact of research advancements on Gallium Oxide (Ga2O3) and Silicon Carbide (SiC) wafer manufacturing cost, the impact on the levelized cost of electricity (LCOE) when using a SiC based solar inverter, and lastly how the high cost of devices (SiC in this case) can be offset by other system cuts, such as the footprint and cooling reductions in a 1MW variable frequency motor drive. The specific goal is to show analytically the lifetime cost and performance benefits of adopting wideband gap technology whether it is at the device level or it is cumulative benefit though a simplified balance of system.

14 SOLAR ENERGY↗
DOE OSTI2020

Plasma etching of wide bandgap and ultrawide bandgap semiconductors

The precise patterning of front-side mesas, backside vias, and selective removal of ternary alloys are all needed for power device fabrication in the various wide bandgap (AlGaN/GaN, SiC) and ultrawide bandgap (high Al-content alloys, boron nitride, Ga2O3, diamond) semiconductor technologies. The plasma etching conditions used are generally ion-assisted because of the strong bond strengths in these materials, and this creates challenges for the choice of masks in order to have sufficient selectivity over the semiconductor and to avoid mask erosion and micromasking issues. It can also be challenging to achieve practical etch rates without creating excessive damage in the patterned surface. The authors review the optimum choices for plasma chemistries for each of the semiconductors and acknowledge the pioneering work of John Coburn, who first delineated the ion-assisted etch mechanism.

42 ENGINEERING↗
DOE OSTI2015

Gallium Oxide Nanostructures for High Temperature Sensors

Gallium oxide (Ga 2 O 3 ) thin films were produced by sputter deposition by varying the substrate temperature (T s ) in a wide range (T s =25-800 °C). The structural characteristics and electronic properties of Ga 2 O 3 films were evaluated using X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray spectrometry (EDS), Rutherford backscattering spectrometry (RBS) and spectrophotometric measurements. The effect of growth temperature is significant on the chemistry, crystal structure and morphology of Ga 2 O 3 films. XRD and SEM analyses indicate that the Ga 2 O 3 films grown at lower temperatures were amorphous while those grown at T s ≥500 oC were nanocrystalline. RBS measurements indicate the well-maintained stoichiometry of Ga 2 O 3 films at T s =300-800 °C. The electronic structure determination indicated that the nanocrystalline Ga 2 O 3 films exhibit a band gap of ~5 eV. Tungsten (W) incorporated Ga 2 O 3 films were produced by co-sputter deposition. W-concentration was varied by the applied sputtering-power. No secondary phase formation was observed in W-incorporated Ga 2 O 3 films. W-induced effects were significant on the structure and electronic properties of Ga2O3 films. The band gap of Ga 2 O 3 films without W-incorporation was ~5 eV. Oxygen sensor characteristics evaluated using optical and electrical methods indicate a faster response in W-doped Ga 2 O 3 films compared to intrinsic Ga 2 O 3 films. The results demonstrate the applicability of both intrinsic and W-doped Ga-oxide films for oxygen sensor application at temperatures ≥700 °C.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Assessment of Potential Dose and Environmental Impacts from Proposed Testing at the INL Radiological Response Training Range

This assessment uses screening-level models to calculate potential environmental impacts from proposed tests at the Idaho National Laboratory (INL) Radiological Response Training Range (RRTR) site. Proposed tests could be conducted using 11 different radioactive material types that include K2O, LaBr3, KBr, Cu, Zr, F, Ga, Ga2O3, NaNO2, Ga-68, and Tc-99m. The tests could potentially release radioactive material to the atmosphere and radionuclides and other contaminants to the soil, which could leach into the unsaturated zone and migrate to the aquifer. Atmospheric transport of radionuclides to potential human receptors and time-integrated air concentrations were calculated with a Gaussian plume model and three years of hourly meteorological data. Potential surface-soil impacts were calculated with the computer program mixing-cell model (MCM). Groundwater impacts were calculated with the computer programs MCM and GWSCREEN. Radiological doses from potential atmospheric releases were calculated for public receptors off the INL Site and for workers at nearby INL facilities. Results were compared to regulatory dose limits. Maximum potential groundwater concentrations were estimated in the aquifer below the NSTR site and compared to drinking water standards or risk-based screening levels for resident tap water. Soil concentrations were calculated and compared to risk-based screening levels for workers and potential future residents. All impacts were estimated assuming 12 tests are conducted annually using all 11 material types for a period of 15 years. This document provides the resources to enable a subject matter expert in the field of environmental assessments to replicate the modeling and calculations. The methodology and parameters are presented in the text. All electronic files, including computer-code input, output, executable files, batch files, scripts, and spreadsheet files are contained in a zip file that can be accessed by selecting “Additional Information” (select Native File) in the INL Electronic Document Management System (EDMS). It is highly unlikely the test scenarios evaluated in this ECAR will adversely impact human health based on comparisons of calculated dose and concentration against regulatory standards and risk-based screening levels. Conservative estimates of dose to workers and the public from atmospheric transport of possible radionuclide releases are far below federal radiation protection standards. Conservative estimates of potential contaminant concentrations in groundwater are less than federal drinking water standards or screening levels. Predicted radionuclide concentrations in surface soils are below risk-based screening levels, except for Ge-68 (material Ga-68) for the worker. The Ge-68 soil concentration can be made less than the worker PRG, if the number of annual tests using Ga-68 is reduced from 12 to 6. However, the sum of ratios still exceeds one because of the high K-40 ratio. If the EF of the worker (number of days the worker is in the contaminated testing area) is reduced from 225 days/yr (default value for full time worker) to 112 days/yr, the Ge-68 ratio is less than one and the sum of ratios is less than one. Actual radiation doses and groundwater and surface-soil concentrations are likely to be much less than those calculated because of the conservative assumptions and parameters employed in the modeling. For example, atmospheric-transport calculations assume the entire inventory of each material type is readily released to the atmosphere and no plume deposition, depletion, or radioactive decay occurs during transport. The calculations also assume the same meteorological conditions (e.g., wind velocity, wind direction, stability class) that produce the maximum 95th percentile concentration (i.e., concentration representing the 95th percentile of a distribution of concentrations derived from 3 years of hourly meteorological data) at each receptor location are the same for all 12 tests during the year, and each receptor is assumed to be present during all 12 tests. The surface-soil assessment assumes the entire inventory of each test is deposited in the top 5 cm of soil. No atmospheric dispersal is assumed, and the radionuclides are subject only to leaching and radioactive decay. The groundwater-pathway modeling is conservative in that it is one-dimensional in the unsaturated zone (no lateral spreading/dilution) and assumes the entire inventory of contaminants infiltrates into the ground at the same location for every test. This is especially conservative for particulate radionuclides because they would have to dissolve or corrode first and some would be dispersed into the atmosphere. The groundwater receptor is also assumed to consume water directly from a hypothetical well positioned in the location of maximum concentration. In addition, conservative degradation rates were used, and volatilization was not considered for the nonradioactive chemical

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Photoconductive Semiconductor Switches: Materials, Physics, and Applications

Photoconductive semiconductor switching (PCSS) devices have unique characteristics to address the growing need for electrically isolated, optically gated, picosecond-scale jitter devices capable of operating at high voltage, current, and frequency. The state of the art in material selection, doping, triggering, and system integration in PCSSs is presented. The material properties and doping considerations of GaN, GaAs, SiC, diamond, and β-Ga2O3 in the fabrication of PCSS devices are discussed. A review of the current understanding of the physics of the high-gain mode known as lock-on is presented.

36 MATERIALS SCIENCE↗
NASA NTRS1980

Chemical depth profiles of the GaAs/native oxide interface

The final-state oxidation products and their distribution in thin native oxides (30-40 A) on GaAs have been studied using X-ray photoelectron spectroscopy in conjunction with chemical depth profiling. Extended room-temperature-oxidation conditions have been chosen to allow the native oxide to attain its equilibrium composition and structure. The work emphasizes the use of chemical depth-profiling methods which make it possible to examine the variation in chemical reactivity of the oxide structure. A minimum of two distinct regions of Ga2O3 with differing chemical reactivity is observed. Chemical shift data indicate the presence of As2O3 in the oxide together with an elemental As overlayer at the interface. A change in relative charge transfer between oxygen and both arsenic and gallium-oxide species is observed in the region of the interface.

Grunthaner, P. J.↗