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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Hexagonal boron nitride: Epitaxial growth and device applications

As a newest family member of the III-nitrides, BN is considered amongst the remaining frontiers in wide energy bandgap semiconductors with potentials for technologically significant applications in deep UV (DUV) optoelectronics, solid-state neutron detectors, electron emitters, single photon emitters, switching/memory devices, and super-capacitors. It was shown that it is possible to produce h-BN epilayers with high hexagonal phase purity, UV transparency, and film stoichiometry by employing nitrogen-rich growth conditions. The quasi-2D nature of h-BN supports unusually strong optical transitions near the band edge and a large exciton binding energy on the order of 0.7 eV. Since the isotope of B-10 has a large capture cross-section for thermal neutrons, h-BN is an ideal material for the fabrication of solid-state neutron detectors for special nuclear materials detection, well and geothermal logging, and medical imaging applications. Freestanding B-10 enriched h-BN (h- 10 BN) epilayers with varying thicknesses up to 200 μm have been successfully synthesized by metal organic chemical vapor deposition (MOCVD) as of this writing. By utilizing the conductivity anisotropy nature of h-BN, 1 cm 2 lateral detectors fabricated from 100 μm thick h-10BN epilayers have demonstrated a detection efficiency of 59% for thermal neutrons, which is the highest on record among all solid-state neutron detectors as of today. It was noted that high growth temperatures, long growth times and the use of sapphire substrate tend to incorporate oxygen related impurities into h- 10 BN epilayers, which strongly impacted the carrier mobility-lifetime (μτ) products and charge collection efficiencies of h- 10 BN neutron detectors. As the h-BN material technology further develops, improved carrier mobilities and μτ products will allow the fabrication of h-BN devices with enhanced performance.

42 ENGINEERING↗
DOE OSTI2021

Control of Surface Morphology during the Growth of (110)-Oriented GaAs by Hydride Vapor Phase Epitaxy

We present a study of the effect of hydride vapor phase epitaxy (HVPE) growth conditions on the morphology of GaAs grown on vicinal and nominally exact (110) GaAs substrates. We evaluate epilayer surfaces using a combination of Nomarski microscopy and atomic force microscopy. The surface morphology strongly depends on the growth conditions employed, as well as the substrate orientation. On substrates offcut 3° toward (111)A, faceting generally develops under conditions in which the growth is Ga-limited, although Ga-limited growth is not the only requirement for faceting. Low growth temperatures lead to a faceted morphology, while higher growth temperatures favor smooth growth and facet-free morphology. We show that the surface morphology is kinetically controlled and that the tendency to facet correlates with the growth rate. 3D growth occurs on nominally exact substrates, resulting in hillock formation, but reduction of the group V precursor partial pressure results in smooth morphology. Overall, our results are consistent with models for step-bunching-induced surface faceting that invoke a negative Ehrlich–Schwoebel step-edge barrier.

(110) oriented GaAs↗
DOE OSTI2022

Structural tunability and origin of two-level systems in amorphous silicon

Amorphous silicon films prepared by electron-beam evaporation have systematically and substantially greater atomic density for higher thickness, higher growth temperature, and slower deposition rate, reaching the density of crystalline Si when films of thickness greater than ~300 nm are grown at 425 °C and at <1 Å/s. Here, a combination of spectroscopic techniques provide insight into atomic disorder, local strains, dangling bonds, and nanovoids. Electron diffraction shows that the short-range order of the amorphous silicon is similar at all growth temperatures, but fluctuation electron microscopy shows that films grown above room temperature show a form of medium-range order not previously observed in amorphous silicon. Atomic disorder and local strain obtained from Raman spectroscopy are reduced with increasing growth temperature and show a nonmonotonic dependence on thickness. Dangling bond density decreases with increasing growth temperature and is only mildly dependent on thickness. Positron annihilation Doppler broadening spectroscopy and electron energy loss spectroscopy show that nanovoids, and not density variations within the network, are responsible for reduced atomic density. Specific heat and mechanical loss measurements, which quantify the density of tunneling two-level systems, in combination with the structural data, suggest that two-level systems in amorphous silicon films are associated with nanovoids and their surroundings, which are in essence loosely bonded regions where atoms are less constrained.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Epitaxial growth and physical properties of Bi 2 Ru 2 O 7 thin films on YSZ(111) substrates

We systematically investigated the growth of Bi 2 Ru 2 O 7 thin films on a Y-stabilized ZrO 2 (111) substrate using pulsed laser deposition by mapping the influence of growth temperature and oxygen partial pressure on phase stability, lattice parameters, and cation ratio. The results show that the epitaxial stabilization requires a minimum growth temperature, which is rather insensitive to the pressure. Meanwhile, the Bi:Ru ratio decreases when increasing growth temperature or decreasing pressure. By constructing the temperature–pressure phase diagram, an optimal growth window within the epitaxial phase was established. On the other hand, the electrical resistivity remains at a similar level within the epitaxial phase with only subtle changes to the temperature dependence, indicative of the robustness of the conductivity against composition variation. Our study provides a foundation for future investigations on thin films and heterostructures that utilize Bi 2 Ru 2 O 7 .

Crystallography↗
DOE OSTI2025

Interface-sensitive microwave loss in superconducting tantalum films sputtered on c-plane sapphire

Quantum coherence in superconducting circuits has increased steadily over the last decades because of a growing understanding of the various loss mechanisms. Recently, tantalum (Ta) emerged as a promising material to address microscopic sources of loss found on niobium (Nb) or aluminum (Al) surfaces. However, the effects of film and interface microstructure on low-temperature microwave loss are still not well understood. Here, in this study, we present a systematic study of the structural and electrical properties of Ta and Nb films sputtered on c-plane sapphire at varying growth temperatures. As growth temperature was increased, our results show that the onset of epitaxial growth of α -phase Ta correlates with lower Ta surface roughness, higher critical temperature, and higher residual resistivity ratio, but surprisingly also correlates with a significant increase in loss at microwave frequency. Notably, this high level of loss is not observed in Nb films prepared in the same way and having very similar structure. By experimentally controlling the surface on which the Ta film is nucleated, we determine that the source of loss was only present in samples having an epitaxial Ta/sapphire interface and show that it was apparently mitigated by either growing a thin, epitaxial Nb interlayer between the Ta film and the substrate or by intentionally treating, and effectively damaging, the sapphire surface with an in situ argon plasma before Ta growth. In addition to elucidating this interfacial microwave loss, this work provides adequate process details to aid reproducible growth of low-loss Ta films across fabrication facilities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Deposition temperature-mediated growth of helically shaped polymers and chevron-type graphene nanoribbons from a fluorinated precursor

Graphene nanoribbons (GNRs) of precise size and shape, critical for controlling electronic properties and future device applications, can be realized via precision synthesis on surfaces using rationally designed molecular precursors. Fluorine-bearing precursors have the potential to form GNRs on nonmetallic substrates suitable for device fabrication. Here, we investigate the deposition temperature-mediated growth of a new fluorine-bearing precursor, 6,11-diiodo-1,4-bis(2-fluorophenyl)-2,3-diphenyltriphenylene (C 42 H 24 F 2 I 2 ), into helically shaped polymer intermediates and chevron-type GNRs on Au(111) by combining scanning tunneling microscopy, X-ray photoelectron spectroscopy, and density functional theory simulations. The fluorinated precursors do not adsorb on the Au(111) surface at lower temperatures, necessitating an optimum substrate temperature to achieve maximum polymer and GNR lengths. We compare the adsorption behavior with that of pristine chevron precursors and discuss the effects of C-H and C-F bonds. The results elucidate the growth mechanism of GNRs with fluorine-bearing precursors and establish a foundation for future synthesis of GNRs on nonmetallic substrates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Thin Water Films Enable Low-Temperature Magnesite Growth Under Conditions Relevant to Geologic Carbon Sequestration

Injecting supercritical CO2 (scCO2) into basalt formations for long-term storage is a promising strategy for mitigating CO2 emissions. Mineral carbonation can result in permanent entrapment of CO2; however, carbonation kinetics in thin H2O films in humidified scCO2 is not well understood. We investigated forsterite (Mg2SiO4) carbonation to magnesite (MgCO3) via amorphous magnesium carbonate (AMC; MgCO3·xH2O, 0.5 < x < 1), with the goal to establish the fundamental controls on magnesite growth rates at low H2O activity and temperature. Experiments were conducted at 25, 40, and 50 °C in 90 bar CO2 with a H2O film thickness on forsterite that averaged 1.78 ± 0.05 monolayers. In situ infrared spectroscopy was used to monitor forsterite dissolution and the growth of AMC, magnesite, and amorphous SiO2 as a function of time. Geochemical kinetic modeling showed that magnesite was supersaturated by two to three orders of magnitude and grew according to a zero-order rate law. The results indicate that the main drivers for magnesite growth are sustained high supersaturation coupled with low H2O activity, a combination of thermodynamic conditions not attainable in bulk aqueous solution. This improved understanding of reaction kinetics can inform subsurface reactive transport models for better predictions of CO2 fate and transport.

Kerisit, Sebastien N.↗
DOE OSTI2021

High performance, electroforming-free, thin film memristors using ionic Na 0.5 Bi 0.5 TiO 3

Here, in ionically conducting Na 0.5 Bi 0.5 TiO 3 (NBT), we explore the link between growth parameters, stoichiometry and resistive switching behavior and show NBT to be a highly tunable system. We show that the combination of oxygen ionic vacancies and low-level electronic conduction is important for controlling Schottky barrier interfacial switching. We achieve a large ON/OFF ratio for high resistance/low resistance ( R HRS / R LRS ), enabled by an almost constant R HRS of ~10 9 Ω, and composition-tunable R LRS value modulated by growth temperature. R HRS / R LRS ratios of up to 10 4 and pronounced resistive switching at low voltages (SET voltage of <1.2 V without high-voltage electroforming), strong endurance (no change in resistance states after several 10 3 cycles), uniformity, stable switching and fast switching speed are achieved. Of particular interest is that the best performance is achieved at the lowest growth temperature studied (600 °C), which is opposite to the case of most other perovskite oxides for memristors, where higher growth temperatures are required for optimum performance. This is understood based on the oxygen vacancy control of interfacial switching in NBT, whereas a range of other mechanisms (including filamentary switching) occur in other perovskites. The study of NBT has enabled us to determine key parameters for achieving high performance memristors.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Results of Initial Alloy 617 High Temperature Crack Growth Testing

Crack propagation data can provide valuable insights when performing a safety evaluation for a component. Alloy 617 is qualified in Section III, Division 5 of the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (BPVC) for elevated-temperature nuclear service up to 950°C. Little is known, however, about subcritical crack-growth phenomena in Alloy 617. Previous crack-growth studies of Alloy 617 did not investigate temperatures across the range which is currently qualified in Section III, Division 5. High-temperature crack-growth testing in air and in reactor-grade helium can provide data for establishing the crack-growth correlations in support of an ASME BPVC Section XI high-temperature flaw evaluation Code Case. Idaho National Laboratory (INL) has previously performed crack-growth testing, but the equipment requires revitalization. This report provides the status of crack-growth testing in Alloy 617 at INL.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Cold acclimation of mesophyll conductance, bundle‐sheath conductance and leakiness in Miscanthus × giganteus

Summary The cold acclimations of mesophyll conductance ( g m ), bundle‐sheath conductance ( g bs ) and the CO 2 concentrating mechanism (CCM) of C 4 plants have not been well studied. Here, we estimated the temperature response of g m , g bs and leakiness (ϕ), the amount of concentrated CO 2 that escapes the bundle‐sheath cells, for the chilling‐tolerant C 4 plant Miscanthus × giganteus grown at 14 and 25°C. To estimate these parameters, we combined the C 4 ‐enzyme‐limited photosynthesis model and the Δ 13 C discrimination model. These combined models were parameterised using in vitro activities of carbonic anhydrase (CA), pyruvate, phosphate dikinase (PPDK), ribulose‐1,5‐bisphosphate carboxylase/oxygenase (RuBisCO), and phospho enol pyruvate carboxylase (PEPc). Cold‐grown Miscanthus plants increased in vitro activities of RuBisCO and PPDK but decreased PEPc activity compared with warm‐grown plants. Mesophyll conductance and g bs responded strongly to measurement temperatures but did not differ between plants from the two growth temperatures. Furthermore, modelling showed that ϕ increased with measurement temperatures for both cold‐grown and warm‐grown plants, but was only marginally larger in cold‐grown compared with warm‐grown plants. Our results in Miscanthus support that g m and g bs are unresponsive to growth temperature and that the CCM is able to acclimate to cold through increased activity of PPDK and RuBisCO.

Serrano‐Romero, Erika A.↗
DOE OSTI2021

Demonstration of Passivation Using a Low-Temperature-Grown, Al-Containing Window Layer by HVPE

We present hydride vapor phase epitaxy (HVPE) growth of single junction GaAs solar cells with Al0.4Ga0.6As front passivation layers at a growth temperature of 650°C. Devices achieved a short circuit current density of ~27.52 mA/cm2 after anti-reflection coating, similar to devices that used GaInP windows with the same bandgap, indicating that AlGaAs provides front-surface passivation resulting in a low interface recombination velocity. The low temperature growth of Al containing III-V materials by HVPE allows for compatibility with In-containing alloys in high-efficiency III-V device structures for various applications.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2024

MOCVD growth of Si-doped α-(AlGa) 2 O 3 on m-plane α-Al 2 O 3 substrates

We reported the growth of (AlGa) 2 O 3 layers on ($10\overline{10}$) α-Al 2 O 3 substrates using cold-wall metalorganic chemical vapor deposition, and the electrical characterization of Si-doped (AlGa) 2 O 3 layers. In the Ga 2 O 3 growth, the α phase was dominant at low growth temperature, achieving the growth rate of 2.4 μm h –1 at 650 °C. Sheet resistance and electrical conductivity of the Ga 2 O 3 layers with a Si concentration of 3 × 10 20 cm –3 were 1 × 10 4 Ω/square and 8.3 S cm –1 , respectively, at the measurement temperature of 500 °C. The Al composition in the (AlGa) 2 O 3 layers was controlled from 0% to 74%. In our initial attempts, we obtained electrically conductive α-(AlGa) 2 O 3 layers by Si doping (2 × 10 –9 S cm –1 in the sample with an Al composition of 56%). Finally, hybrid functional calculations suggest the conductivities are limited by compensation of Si through cation vacancy complexes, and not by the significant amounts of co-incorporated C and N that are predicted to be electrically passivated by hydrogen.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Analysis of the High-Pressure High-Temperature (HPHT) growth of single crystal diamond

A multi-scale, computational model is developed to describe the growth characteristics of single-crystal diamond in the High-Pressure, High-Temperature (HPHT) process. This model is the first to connect phase-change kinetics governing crystal growth to the continuum transport of carbon through the growth cell. Results show the importance of convective transport driven by buoyant flow in the metallic solvent, which increases the growth rate by nearly an order of magnitude over that obtained under diffusion alone. Parametric studies show how crystal growth may be kinetically-limited or transport-limited, depending on the value of the macroscopic kinetic coefficient. Estimating this kinetic coefficient from growth experiments yields a phase-change Damköhler number of unity, indicating a mixed regime where phase-change kinetics and transport are comparable and strongly coupled in this system. Mechanisms responsible for slowing growth as the crystal size increases are explained. Finally, supersaturation inhomogeneities along the facets of larger crystals are predicted, which may be relevant to solvent inclusion formation during growth.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Carbon and silicon background impurity control in undoped GaN layers grown with trimethylgallium and triethylgallium via metalorganic chemical vapor deposition

The unintentional impurity incorporation in GaN epitaxial layers impacts the electrical conductivity and optical properties of the films grown by metalorganic chemical vapor deposition (MOCVD). It is critical to control impurity-related states for device structure development. The aim of this work is to contribute to the understanding of the reasons for the presence of certain background impurities. In this paper, the unintentional impurity incorporation of carbon, hydrogen, oxygen, and silicon in undoped (u-) GaN films grown by low-pressure MOCVD were studied. Background impurity concentrations were evaluated by secondary ion mass spectroscopy (SIMS) to optimize growth parameters including V/III ratio, growth temperature (T g ), growth pressure (P g ), and gallium (Ga) precursors of trimethylgallium (TMG) or triethylgallium (TEG). Unintentional [C] and [Si] incorporations are found to be highly dependent on the growth parameters. Further, for the same growth conditions, u-GaN films grown with a TEG precursor exhibited a lower background concentration of C compared to that of GaN grown with TMG. However, the lowest background [C] achieved was grown with TMG using optimized conditions and exhibited [C]<4×10 15 cm -3 which was at the detection limit of the SIMS measurement. These results were measured for a u-GaN layer grown with TMG at 200 Torr, 1030°C, and a V/III of 3700. The lowest background [Si] of 4×10 15 cm -3 was achieved by growing with TMG at 200 Torr, 1000°C, and V/III of 650.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Summary of Alloy 617 and Alloy 709 Elevated Temperature Crack Growth Test Results from the Planned FY24 Crack Growth Test Activities

This report covers the results from crack growth rate testing performed at Idaho National Laboratory in the fiscal year 2024. It includes two creep crack growth rate tests and two creep-fatigue crack growth rate tests. Results are shown for each of these tests, included crack growth measured during the test using direct current potential drop, and measurements based off of the fracture surface. Load line displacement, as well as load, were also collected during the tests. Detailed analysis of the results will continue into the next fiscal year, however, a number of potential improvements to the equipment and testing procedures were identified that will increase testing reliability and throughput, as well as decrease complications with the analysis.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Evidence for a High Temperature Whisker Growth Mechanism Active in Tungsten during In Situ Nanopillar Compression

A series of nanopillar compression tests were performed on tungsten as a function of temperature using in situ transmission electron microscopy with localized laser heating. Surface oxidation was observed to form on the pillars and grow in thickness with increasing temperature. Deformation between 850 °C and 1120 °C is facilitated by long-range diffusional transport from the tungsten pillar onto adjacent regions of the Y2O3-stabilized ZrO2 indenter. The constraint imposed by the surface oxidation is hypothesized to underly this mechanism for localized plasticity, which is generally the so-called whisker growth mechanism. The results are discussed in context of the tungsten fuzz growth mechanism in He plasma-facing environments. The two processes exhibit similar morphological features and the conditions under which fuzz evolves appear to satisfy the conditions necessary to induce whisker growth.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Temperature-Dependent Sn Incorporation and Defect Formation in Pseudomorphic SiSn Layers on Si (001) via Molecular Beam Epitaxy

SiSn alloys have attracted growing interest for group-IV bandgap engineering, although their epitaxial growth remains challenging due to the extremely low equilibrium solubility of Sn in Si. In this work, fully strained (pseudomorphic) SiSn epitaxial layers were grown on Si (001) substrates by means of molecular beam epitaxy. A systematic investigation reveals a strong inverse correlation between growth temperature and Sn incorporation efficiency. Despite a constant Sn flux, the incorporated Sn composition decreases from 5.5% to 3.2% as the growth temperature increases, indicating a pronounced temperature dependence of Sn incorporation. Reflection high-energy electron diffraction indicates a gradual transition of the growth from two-dimensional to three-dimensional with increasing film thickness. Structural characterization by means of X-ray diffraction, atomic force microscopy, and transmission electron microscopy confirms the pseudomorphic growth and smooth surface morphology and reveals twins and stacking faults near the surface region. These results establish a quantitative reference for SiSn growth kinetics and provide guidance for future studies of SiSn and SiGeSn alloys in silicon-compatible electronic and optoelectronic applications.

SiSn alloys↗
DOE OSTI2023

Heteroepitaxial growth of Ga2O3 on 4H-SiC by liquid-injection MOCVD for improved thermal management of Ga2O3 power devices

We report on the growth of monoclinic β- and orthorhombic κ-phase Ga2O3 thin films using liquid-injection metal-organic chemical vapor deposition on highly thermally conductive 4H-SiC substrates using gallium (III) acetylacetonate or tris(2,2,6,6-tetramethyl-3,5-heptanedionato) gallium (III). Both gallium precursors produced the β phase, while only the use of the latter led to growth of κ-Ga2O3. Regardless of the used precursor, best results for β-Ga2O3 were achieved at a growth temperature of 700 °C and O2 flows in the range of 600–800 SCCM. A relatively narrow growth window was found for κ-Ga2O3, and best results were achieved for growth temperatures of 600 °C and the O2 flow of 800 SCCM. While phase-pure β-Ga2O3 was prepared, κ-Ga2O3 showed various degrees of parasitic β phase inclusions. X-ray diffraction and transmission electron microscopy confirmed a highly textured structure of β- and κ-Ga2O3 layers resulting from the presence of multiple in-plane domain orientations. Thermal conductivities of 53 nm-thick β-Ga2O3 (2.13 + 0.29/−0.51 W/m K) and 45 nm-thick κ-Ga2O3 (1.23 + 0.22/−0.26 W/m K) were determined by transient thermoreflectance and implications for device applications were assessed. Presented results suggest great potential of heterointegration of Ga2O3 and SiC for improved thermal management and reliability of future Ga2O3-based high power devices.

Materials Science↗