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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Harvest and nitrogen effects on bioenergy feedstock quality of grass-legume mixtures on Conservation Reserve Program grasslands

Perennial grass mixtures established on Conservation Reserve Program (CRP) lands can be an important source of feedstock for bioenergy production. This study aimed to evaluate management practices for optimizing the quality of bioenergy feedstock and stand persistence of grass-legume mixtures under diverse environments. A 5-year field study (2008–2012) was conducted to assess the effects of two harvest timings (at anthesis vs after complete senescence) and three nitrogen (N) rates (0, 56, 112 kg N ha -1 ) on biomass chemical compositions (i.e., cell wall components, ash, volatiles, total carbon, and N contents) and the feedstock energy potential, examined by the theoretical ethanol yield (TEY) and the total TEY (i.e., the product of biomass yield and TEY, L ha -1 ), of cool-season mixtures in Georgia and Missouri and a warm-season mixture in Kansas. The canonical correlation analysis (CCA) was used to investigate the effect of vegetative species transitions on feedstock quality. Although environmental variations (mainly precipitation) greatly influenced the management effect on chemical compositions, the delayed harvest after senescence generally improved feedstock quality. In particular, the overall cell wall concentrations and TEY of the warm-season mixtures increased by approximately 7%. Additional N supplies improved the total TEY of both mixtures by ~1.6–4.2 L ha -1 per 1.0 kg N ha -1 input but likely lowered the feedstock quality, particularly for the cool-season mixture. The cell wall concentrations of cool-season mixture reduced by approximately 3%–6%. The CCA results indicated that the increased legume compositions (under low N input) likely enhanced lignin but reduced ash concentrations. This field research demonstrated that with proper management, grass-legume mixtures on CRP lands can provide high-quality feedstock for bioenergy productions.

09 BIOMASS FUELS↗
DOE OSTI2025

A statistical representation of bond coating oxidation under environmental barrier coatings

Environmental barrier coatings (EBCs) protect SiC-based ceramic matrix composites (CMCs) in turbine hot sections from high-temperature volatilization in combustion gases. The formation of a SiO 2 thermally grown oxide (TGO) is expected under the EBC after long-term operation. The oxidation resistance of the EBC is understood as a life-limiting factor for the CMC, and this work predicts long-term oxidation behavior under EBCs through a simple statistical approach. Specimens were exposed to 1350°C isothermal conditions for 100-h thermal cycles in flowing steam for up to 1000 h. The EBC morphology, SiO 2 thickness, and SiO 2 cracking behavior were assessed. Using thousands of SiO 2 thickness measurements across many millimeters of the interface, a realistic representation of the entire TGO was captured via a lognormal distribution. The lognormal fit parameters were extrapolated out to 25 000 h to assess the degree of SiO 2 growth, the spread of SiO 2 thicknesses related to the rough oxidizing interface, and percentages of the intermediate bond coating consumed. In conclusion, local interfacial defects from the coating deposition process are identified as local failure points for EBC—CMC systems.

SiO 2↗
DOE OSTI2020

Oxidation of 3D-printed SiC in air and steam environments

Here, the high-temperature oxidation of additively manufactured and chemically vapor infiltrated (3D-printed SiC) has been compared to chemical vapor deposited (CVD) SiC. 100-h isothermal exposures were conducted at 1425° and 1300°C at 1 atm under both dry air and steam environments. A SiC reaction tube was utilized to reduce silica volatility. After steam oxidation at 1425° and 1300°C, on the 3D-printed SiC surface, which was intrinsically rougher than the CVD surface, scales were 70%–90% thicker at the convex regions compared to concave/flat regions. In the convex regions, large cracks perpendicular to the oxidizing interface were observed. After dry air oxidation, scale thicknesses were comparable between 3D-printed SiC and CVD SiC, regardless of geometry. Finite element modeling, conducted to elucidate the relationship between SiC geometry and ß- to α-cristobalite transformation stress, determined cristobalite transformation tensile stresses to be on the order of 103 MPa during cool down, assuming a 6 vol% reduction. Compared to flat SiC substrates, tensile transformation stresses were elevated at concave regions and relaxed at convex regions. Combined with specimen mass gain (accounting for the rougher surface) of 3D-printed SiC being 15%–32% higher for 3D-printed SiC after 1300°C and 1425°C steam oxidation, the work presented concludes that the increased oxidation of 3D-printed SiC is primarily caused by tensile hoop stresses driven by oxidation volume expansion. Lastly, the efficacy of the 3D-printing method is demonstrated through the production of tristructural isotropic imbedded 3D-printed SiC fuel forms.

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

Steam oxidation of ytterbium disilicate environmental barrier coatings with and without a silicon bond coat

The current generation of multilayer Si/Yb 2 Si 2 O 7 environmental barrier coatings (EBCs) are temperature limited by the melting point of Si, 1414°C. To investigate higher temperature EBCs, the cyclic steam oxidation of EBCs comprised of a single layer of ytterbium disilicate (YbDS) was compared to multilayered Si/YbDS EBCs, both deposited on SiC substrates using atmospheric plasma spray. In this work, after 500 1-h cycles at 1300°C in 90 vol%H2O-10 vol%air with a gas velocity of 1.5 cm/s, both multilayer Si/YbDS and single layer YbDS grew thinner silica scales than bare SiC, with the single layer YbDS forming the thinnest scale. Both coatings remained fully adherent and showed no signs of delamination. Silica scales formed on the single layer coating were significantly more homogeneous and possessed a markedly lower degree of cracking compared to the multilayered EBC. The single layer EBC also was exposed at 1425°C in steam with a gas velocity of 14 cm/s in an alumina reaction tube. The EBC reduced specimen mass loss compared to bare SiC but formed an extensive 2nd phase aluminosilicate reaction product. A similar reaction product was observed to form on some regions of the bare SiC specimen and appeared to partially inhibit silica volatilization. The 1425°C steam exposures were repeated with a SiC reaction tube and no 2nd phase reaction product was observed to form on the single layer EBC or bare SiC.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Evaluating steam oxidation kinetics of environmental barrier coatings

Environmental barrier coatings (EBCs) are a commercially proven means of protecting SiC-based materials in gas turbine environments. However, there are little specific data in the literature on the impact of coatings like Yb 2 Si 2 O 7 on preventing accelerated SiO 2 growth in the presence of H 2 O. Quantification of reduced rates are necessary for evaluating and comparing EBC effectiveness and incorporation of silica growth rates into future EBC lifetime models. In this study, baseline kinetics of silica formation on bare Si and chemically vapor deposited (CVD) SiC in the 1250–1425 °C range were obtained via 100 h isothermal exposures in dry air and steam environments utilizing a SiC reaction tube to mitigate specimen volatility. An Arrhenius plot of the resulting rates was constructed, representing baseline minimum and maximum rates for Si and SiC oxidation at ambient pressure. Various EBC systems on CVD SiC substrates including air plasma sprayed (APS) EBCs with and without a Si bond coating and with surface roughening to enhance Yb 2 Si 2 O 7 adhesion were subjected to 1-h furnace cycle testing in air with 90vol%H 2 O at 1250–1350°C for up to 500 cycles. After exposure, silica formation rates were measured and compared to the baseline rates to assess EBC effectiveness, where EBC effectiveness is gauged as the propensity to reduce underlying rates of silica formation. With a Si bond coating, a ~180 µm Yb 2 Si 2 O 7 (YbDS) top coating reduced rates over the entire 1250°-1350°C range. Without a Si bond coating, ~60 µm (YbDS) coatings deposited directly onto CVD SiC exhibited poor adhesion, and had to be deposited onto substrates with enhanced roughness at 1350°C. Finally, while exhibiting good adhesion at 1350°C, overall the single layer YbDS coating exhibited a decreasing effectiveness from 1250° to 1350°C.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effect of sucrose on technetium and rhenium retention during vitrification of low-activity wastes

Sucrose (C 12 H 22 O 11 ) has been used in low-activity waste (LAW) melter feeds containing large fractions of nitrates, nitrites, or both because it facilitates foam suppression and denitration. This study focused on the effect of sucrose in LAW feeds on technetium (Tc) and rhenium (Re) retention. The amount of sucrose added in feeds was varied to differentiate the carbon-to-nitrogen mole ratio (C/N ratio). The results show that larger sucrose addition (higher C/N ratio) enhances Tc and Re retention. Reducing conditions induced by sucrose decomposition and early chemical reactions between sucrose and NaNO 3 /NaNO 2 are expected to increase Tc and Re retention. However, high sucrose addition decreased sulfur (S) retention slightly because sodium sulfate decomposes in reducing conditions at lower temperature. This early sulfate decomposition can affect Tc and Re retention partly because these species can be soluble in sulfate phases. This correlation indicates that the decrease of sulfate phases in the glass by early decomposition can reduce the solubility of Tc and Re in the sulfate phases, which may increase Tc and Re retention in the glass. In addition, continuous gas evolution and vigorous foaming at the foaming temperature range of 700–900°C may influence Tc and Re retention process interrupting retention or facilitating volatilization.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Uncovering microstructure and composition susceptibility of high permittivity ceramic granules to plasma-induced arc breakdown

Effective diversion of surge currents is vital to prevent unwanted damage to sensitive electronics. Among the most successful and efficient strategies relies on a dielectric stimulated arc breakdown mechanism with high permittivity ceramic granules in a spark-gap geometry. Although generally regarded as a self-healing process, substantial energy deposition may occur that, over time, diminishes the ability to withstand repeated electrical assaults. We investigate the susceptibility of lead–magnesium–niobate–lead titanate (PMN–PT) granule microstructure and composition changes following many exposures to high voltage impulses resulting in arc breakdown. Scanning electron microscopy and energy-dispersive spectroscopy mapping reveal a broad range of thermal and mechanical defects entailing thermal reduction of constituent PMN–PT metal ions and recasting due to rapid eruption of volatile species. Additionally, evidence of local melting and microcracking are apparent that can have deleterious impact on the proper function of the granules, namely, the ability to concentrate electric fields across air gaps to establish and sustain discharge pathways. We propose that the localized nature of damage and stochasticity associated with the dielectric stimulated breakdown mechanism may allow granules to maintain functionality provided no permanent conduction paths are established.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Impact on aggregate/matrix bonding when a refractory contains zinc aluminate instead of spinel and magnesia‐chrome

The high hot strength of MgO–Cr 2 O 3 refractory is often ascribed to its intimate aggregate/matrix bonding. For a fundamental comparison with it, ~2 mm aggregates of MgO and Al 2 O 3 were separately embedded in ZnAl 2 O 4 and MgAl 2 O 4 matrices, sintered at 1600°C, and examined. It was found that similarity of thermal expansion coefficient (TEC) between the aggregate and the matrix is critical to achieve good bonding and this is more important than the extent of interdiffusion. The TEC mismatch of ≥ 5.7 × 10 -6 K -1 caused significant undesirable debonding in MgO aggregate/MgAl 2 O 4 matrix sample and MgO/ZnAl 2 O 4 despite >736 μm Zn 2+ diffusion depth in the latter. Direct bonding, as inferred from a thicker interfacial reaction layer and a greater shift of the aggregate/matrix interface before and after firing, was better in MgAl 2 O 4 /ZnAl 2 O 4 combination, followed by tabular Al 2 O 3 /ZnAl 2 O 4 and Al 2 O 3 /MgAl 2 O 4 . Powder X-ray diffraction indicated that the volatilization of ZnAl 2 O 4 at 1600°C in air was negligible compared to MgO–Cr 2 O 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2024

Oxygen vacancy migration and impact on high voltage DC polarization in 0.8BaTiO 3 –0.2BiZn 0.5 Ti 0.5 O 3

Electrical polarization and defect transport are examined in 0.8BaTiO 3 –0.2BiZn 0.5 Ti 0.5 O 3 , an attractive capacitor material for high power electronics. Oxygen vacancies are suggested to be the majority charge carrier at or below 250°C with a grain conduction hopping activation energy of 0.97 eV and 0.92 eV for thermally stimulated depolarization current (TSDC) and impedance spectroscopy measurements, respectively. At higher temperature, thermally generated electronic conduction with an activation energy of 1.6 eV is dominant. Significant oxygen vacancy concentration is indicated (up to ~1%) due to cation vacancy formation (i.e., acceptor defects) from observed Bi (and likely Zn) volatility. Oxygen vacancy diffusivity is estimated to be 10 -12.8 cm 2 /s at 250°C. Low diffusivity and high activation energies are indicative of significant defect interactions. Dipolar oxygen vacancy defects are also indicated, with an activation energy of 0.59 eV from TSDC measurements. In conclusion, the large oxygen vacancy content leads to a short lifetime during high voltage (30 kV/cm), high temperature (250°C) direct current (DC) electrical measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Coordinated neutron and X-ray computed tomography of meteorites: Detection and distribution of hydrogen-bearing materials

The presence and distribution of hydrogen-bearing materials in meteorites are important constraints on processes in the early solar system, and the delivery of volatile constituents to growing planets. Here, in this paper, we show that coordinated neutron and X-ray computed tomography, NXCT, can reveal the presence and distributions of hydrogen-bearing materials in meteorites, and thus help constrain the presence and actions of water in the early solar system. NXCT is nearly nondestructive of meteorite samples. Neutron fluence in NXCT is approximately seven orders of magnitude less than in typical instrumental neutron activation analysis, and so produces little residual radioactivity and currently undetectable changes in isotope ratios. Heating during NXCT is minimal, but NXCT will overprint the record of cosmic ray exposure held in natural thermoluminescence. Two meteorites were examined. EET 87503 is a howardite, a regolith breccia inferred to be from the asteroid 4 Vesta, and contains fragments of eucrite basalt, diogenite pyroxenite, and H-rich carbonaceous chondrites. With NXCT, the chondrite fragments within the meteorite piece can be clearly located and characterized, in preparation for possible extraction and detailed analyses. Graves Nunataks (GRA) 06100 is a CR2 chondrite meteorite that contains abundant iron metal and H-bearing silicates from aqueous alteration. In NXCT, H-bearing altered material is clearly distinguished from metal, and its distribution in three dimensions is revealed as a constraint on the processes of alteration.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Systemic stomatal responses in plants: Coordinating development, stress, and pathogen defense under a changing climate

To successfully survive, develop, grow and reproduce, multicellular organisms must coordinate their molecular, physiological, developmental and metabolic responses among their different cells and tissues. This process is mediated by cell-to-cell, vascular and/or volatile communication, and involves electric, chemical and/or hydraulic signals. Within this context, stomata serve a dual role by coordinating their responses to the environment with their neighbouring cells at the epidermis, but also with other stomata present on other parts of the plant. As stomata represent one of the most important conduits between the plant and its above-ground environment, as well as directly affect photosynthesis, respiration and the hydraulic status of the plant by controlling its gas and vapour exchange with the atmosphere, coordinating the overall response of stomata within and between different leaves and tissues plays a cardinal role in plant growth, development and reproduction. Here, we discuss different examples of local and systemic stomatal coordination, the different signalling pathways that mediate them, and the importance of systemic stomatal coordination to our food supply, ecosystems and weather patterns, under our changing climate. Importantly, we further discuss the potential biotechnological implications of regulating systemic stomatal responses for enhancing agricultural productivity in a warmer and CO 2 -rich environment.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Influence of Fuel Properties on Gasoline Direct Injection Particulate Matter Emissions Over First 200 s of World-Harmonized Light-Duty Test Procedure Using an Engine Dynamometer and Novel “Virtual Drivetrain” Software

Abstract The influence of fuel properties on particulate matter (PM) emissions from a catalytic gasoline particulate filter (GPF) equipped gasoline direct injection (GDI) engine was investigated using novel “virtual drivetrain” software and an engine mated to an engine dynamometer. The virtual drivetrain software was developed in labview to operate the engine on an engine dynamometer as if it were in a vehicle undergoing a driving cycle. The software uses a physics-based approach to determine vehicle acceleration and speed based on engine load and a programed “shift” schedule to control engine speed. The software uses a control algorithm to modulate engine load and braking to match a calculated vehicle speed with the prescribed speed trace of the driving cycle of choice. The first 200 s of the World-harmonized Light-duty Test Procedure (WLTP) driving cycle was tested using six different fuel formulations of varying volatility, aromaticity, and ethanol concentration. The first 200 s of the WLTP was chosen as the test condition because it is the most problematic section of the driving cycle for controlling PM emissions due to the cold start and cold drive off. It was found that there was a strong correlation between aromaticity of the fuel and the engine-out PM emissions, with the highest emitting fuel producing more than double the mass emissions of the low PM production fuel. However, the post-GPF PM emissions depended greatly on the soot loading state of the GPF. The fuel with the highest engine-out PM emissions produced comparable post-GPF emissions to the lowest PM producing fuel over the driving cycle when the GPF was loaded over three cycles with the respective fuels. These results demonstrate the importance of GPF loading state when aftertreatment systems are used for PM reduction. It also shows that GPF control may be more important than fuel properties, and that regulatory compliance for PM can be achieved with proper GPF control calibration irrespective of fuel type.

Energy & Fuels↗
DOE OSTI2021

Carbon-Based Multi-Phase Rotating Detonation Engine

Abstract This article focuses on extending an H2/air rotating detonation engine's detonability limits by introducing solid carbon particles into the combustor. Carbon black particles consisting of 1% volatility and a carbon concentration of 99% were used as a solid-phase mixing agent for enhanced reaction wave dynamics. Carbon black was found to sustain detonations over multiple operational regimes formerly unattainable without carbon particles. The experiments confirm that detonations were attainable over a wide range of operational parameters, including the total mass flux flowing through the annulus (≅120–270 kg/s m2), the hydrogen/air equivalence ratios (0.65–1.0), and carbon additions (0–20 g). Chemiluminescence imaging was used to visualize the detonation wave within the annulus, quantify detonation wave velocities, and define a detonability map. The detonability map demonstrates the advantage of carbon addition, shows that detonation-based combustion can be sustained at leaner equivalence ratios, reduces hydrogen consumption dependency. The detonation wave velocities decreased as the H2/air equivalence ratio was reduced, where, in general, the detonation wave velocities decreased with respect to the Chapman–Jouguet velocity, suggesting a decrease in the detonation waves efficiency with reduced H2 concentrations. However, an extraordinary phenomenon was witnessed at very lean H2/air equivalence ratios and low mass flux conditions, where the detonation wave velocity increased upward of 100 m/s. This variation is a direct effect of the carbon particles, which drive the detonation wave. Thus, the results demonstrate that carbon particles’ addition provides an economically feasible solution to sustain high-efficiency energy production.

Energy & Fuels↗
DOE OSTI2024

Understanding Environmental Barrier Coating Lifetimes and Performance for Industrial Gas Turbines

Hydrogen or hydrogen blend fuels are expected to replace natural gas in land-based industrial gas turbines (IGTs) to support a greener power economy. Silicon carbide (SiC) base ceramic matrix composites (CMCs) are considered for replacement of Ni-based superalloys to facilitate future efficiency improvements. SiC CMCs require environmental barrier coatings (EBCs) to mitigate volatilization from high-temperature steam, thus making the EBC lifetime critical information for identifying CMC component lifetimes. Here, the goal of this project is to determine the maximum bond coating temperature underneath the EBC for achieving an IGT component lifetime goal of 25,000 h, which is far greater than current CMC component lifetime requirements for aeroturbine applications. To provide data for the lifetime model, laboratory testing used atmospheric plasma-sprayed rare-earth silicate EBCs on monolithic SiC substrates with an intermediate Si bond coating. Specimens exposed to 1-h thermal cycles in flowing air–steam environments and reaction kinetics were assessed from 700 °C to 1350 °C by measuring the thickness of the thermally grown silica scales. The silica growth and phase transformation appear critical in predicting EBC lifetime and several strategies have been explored to reduce the oxide growth rate and improve EBC durability at elevated temperatures. Advanced characterization using Raman spectroscopy has helped clarify this system.

08 HYDROGEN↗
DOE OSTI2024

Understanding EBC Lifetimes and Performance for Industrial Gas Turbines

Hydrogen or hydrogen blend fuels are expected to replace natural gas in land-based industrial gas turbines (IGTs) to support a greener power economy. Silicon carbide (SiC) base ceramic matrix composites (CMCs) are considered for replacement of Ni-based superalloys to facilitate future efficiency improvements. SiC CMCs require environmental barrier coatings (EBCs) to mitigate volatilization from high-temperature steam, thus making the EBC lifetime critical information for identifying CMC component lifetimes. The goal of this project is to determine the maximum bond coating temperature underneath the EBC for achieving an IGT component lifetime goal of 25,000 h, which is far greater than current CMC component lifetime requirements for aero-turbine applications. To provide data for the lifetime model, laboratory testing used plasma-sprayed rare-earth silicate EBCs on monolithic SiC substrates with an intermediate Si bond coating. Specimens exposed to 1-h thermal cycles in flowing air-steam environments and reaction kinetics were assessed from 700°-1350°C by measuring the thickness of the thermally grown silica scales. The silica growth and phase transformation appear critical in predicting EBC lifetime and several strategies have been explored to reduce the oxide growth rate and improve EBC durability at elevated temperatures. Advanced characterization using Raman spectroscopy has helped clarify this system.

Ridley, Mackenzie↗
DOE OSTI2020

In situ , in vivo , and in operando imaging and spectroscopy of liquids using microfluidics in vacuum

This review offers a succinct overview of the development of a vacuum-compatible microfluidic reactor system for analysis at the liquid vacuum interface (SALVI), and its diverse applications in in situ, in vivo, and in operando imaging of liquid surfaces as well as the air-liquid (a-l), liquid-liquid (l-l), and solid-liquid (s-l) interfaces in the past decade. SALVI is one of the first microfluidics-based reactors that has enabled direct analysis of volatile liquids in vacuum surface tools such as scanning electron microscopy (SEM) and time-of-flight secondary ion mass spectrometry (ToF-SIMS). Its integration into ambient and vacuum spectroscopy and microscopy is illustrated. Several applications are highlighted including (1) imaging nanoparticles in liquid using in situ SEM; (2) mapping the evolving l-l interface using in situ x-ray absorption spectroscopy and ToF-SIMS; (3) following complex a-l interfacial oxidation reaction products using in situ ToF-SIMS; (4) capturing biological interfaces of cells and microbes via in vivo multimodal and correlative imaging; and (5) monitoring the dynamic solid electrode and liquid electrolyte interface using in operando molecular imaging. Finally, outlook and recommendations are presented. Besides showing the holistic information volume obtained by real-time multiplexed imaging, this review intends to convey the importance of tool development in revolutionizing surface and interface analysis using vacuum platforms previously limited to solid surfaces. Microfluidics is manifested to be not limited to ambient conditions in many examples in this review. Moreover, fundamental interfacial phenomena underpinning mass and charge transfer can now be pursued in real time via innovated chemical imaging and spectroscopy.

42 ENGINEERING↗
DOE OSTI2020

Control of polymorphism during epitaxial growth of hyperferroelectric candidate LiZnSb on GaSb (111)B

A major challenge for ferroelectric devices is the depolarization field, which competes with and often destroys long-range polar order in the limit of ultrathin films. Recent theoretical predictions suggest a new class of materials, termed hyperferroelectics, that should be robust against the depolarization field and enable ferroelectricity down to the monolayer limit. Here, the authors demonstrate the epitaxial growth of hexagonal LiZnSb, one of the hyperferroelectric candidate materials, by molecular-beam epitaxy on GaSb (111)B substrates. Due to the high volatility of all three atomic species, they find that LiZnSb can be grown in an adsorption-controlled window, using an excess zinc flux. Within this window, the desired polar hexagonal phase is stabilized with respect to a competing cubic polymorph, as revealed by x-ray diffraction and transmission electron microscopy measurements. First-principles calculations show that for moderate amounts of epitaxial strain and moderate concentrations of Li vacancies, the cubic LiZnSb phase is lower in formation energy than the hexagonal phase, but only by a few millielectronvolts per formula unit. Therefore, they suggest that kinetics plays a role in stabilizing the desired hexagonal phase at low temperatures. Their results provide a path toward experimentally demonstrating ferroelectricity and hyperferroelectricity in a new class of ternary intermetallic compounds.

42 ENGINEERING↗
DOE OSTI2022

Plasma enhanced atomic layer deposition and atomic layer etching of gallium oxide using trimethylgallium

Atomic layer etching driven by self-limiting thermal reactions has recently been developed as a highly conformal and isotropic technique for low damage atomic scale material removal by sequential exposures of vapor phase reactants. Gallium oxide (Ga2O3) is currently among the materials of interest due to a large variety of applications including power electronics, solar cells, gas sensors, and photon detectors. In this study, Ga2O3 was deposited by plasma enhanced atomic layer deposition using trimethylgallium [TMG, Ga(CH3)3] and O2 plasma at a substrate temperature of 200 °C. We report a newly developed method for Ga2O3 thermal atomic layer etching, in which surface modification is achieved through HF exposure resulting in a gallium fluoride surface layer, and then removed through volatile product formation via ligand exchange with TMG. Saturation of the precursor exposure at a substrate temperature of 300 °C resulted in an etch rate of 1.0 ± 0.1 Å/cycle for amorphous Ga2O3. Uniformity and conformality of the atomic layer etching process were confirmed via atomic force microscopy with a measured surface roughness of 0.55 ± 0.05 nm that remains unchanged after etching. The use of TMG for etching may expand available precursors for atomic layer etching processes, while allowing for both etching and deposition of Ga2O3 using the same metalorganic precursor.

Hatch, Kevin A. (ORCID:0000000283118623)↗