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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Imaging the kinetics of anisotropic dissolution of bimetallic core–shell nanocubes using graphene liquid cells

Chemical design of multicomponent nanocrystals requires atomic-level understanding of reaction kinetics. Here, we apply single-particle imaging coupled with atomistic simulation to study reaction pathways and rates of Pd@Au and Cu@Au core-shell nanocubes undergoing oxidative dissolution. Quantitative analysis of etching kinetics using in situ transmission electron microscopy (TEM) imaging reveals that the dissolution mechanism changes from predominantly edge-selective to layer-by-layer removal of Au atoms as the reaction progresses. Dissolution of the Au shell slows down when both metals are exposed, which we attribute to galvanic corrosion protection. Morphological transformations are determined by intrinsic anisotropy due to coordination-number-dependent atom removal rates and extrinsic anisotropy induced by the graphene window. Our work demonstrates that bimetallic coreshell nanocrystals are excellent probes for the local physicochemical conditions inside TEM liquid cells. Furthermore, single-particle TEM imaging and atomistic simulation of reaction trajectories can inform future design strategies for compositionally and architecturally sophisticated nanocrystals.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1985

Magnetron-Sputtered Amorphous Metallic Coatings

Amorphous coatings of refractory metal/metalloid-based alloys deposited by magnetron sputtering provide extraordinary hardness and wear resistance. Sputtering target fabricated by thoroughly mixing powders of tungsten, rhenium, and boron in stated proportions and pressing at 1,200 degrees C and 3,000 lb/in. to second power (21 MPa). Substrate lightly etched by sputtering before deposition, then maintained at bias of - 500 V during initial stages of film growth while target material sputtered onto it. Argon gas at pressure used as carrier gas for sputter deposition. Coatings dense, pinhole-free, extremely smooth, and significantly resistant to chemical corrosion in acidic and neutral aqueous environments.

Thakoor, A. P.↗
NASA NTRS1982

Development of a polysilicon process based on chemical vapor deposition, phase 1 and phase 2

High-purity polycrystalline silicon was produced in an experimental, intermediate and advanced CVD reactor. Data from the intermediate and advanced reactors confirmed earlier results obtained in the experimental reactor. Solar cells were fabricated by Westinghouse Electric and Applied Solar Research Corporation which met or exceeded baseline cell efficiencies. Feedstocks containing trichlorosilane or silicon tetrachloride are not viable as etch promoters to reduce silicon deposition on bell jars. Neither are they capable of meeting program goals for the 1000 MT/yr plant. Post-run CH1 etch was found to be a reasonably effective method of reducing silicon deposition on bell jars. Using dichlorosilane as feedstock met the low-cost solar array deposition goal (2.0 gh-1-cm-1), however, conversion efficiency was approximately 10% lower than the targeted value of 40 mole percent (32 to 36% achieved), and power consumption was approximately 20 kWh/kg over target at the reactor.

Plahutnik, F.↗
DOE OSTI2025

Bismuth-oxo Clusters for Next Generation Extreme Ultraviolet Light Photolithography

Photolithography is the primary technique used for the patterning of semiconducting materials for chip manufacturing; however, as requisite pattern dimensions and feature sizes continue to decrease, state-of-the-art lithographic methods now require the use of 13.5 nm extreme ultraviolet (EUV) light. The shift toward these higher energy wavelengths of light has resulted in a need for new single component materials, with high EUV absorption cross sections and high etch resistance. Herein, we report the exploration of Bi 9 O 7 (hfac) 13 as the first bismuth oxo cluster based EUV photoresist. It was determined this material has an exceptional EUV linear absorption coefficient (24 μm –1 ), nearly an order of magnitude larger than commercially available chemically amplified resists (CARs) (∼5 μm –1 ). Additionally, the resist was determined to be highly sensitive to EUV exposure and displayed a dose-to-gel of 10 mJ/cm 2 , undergoing ligand decomposition during exposure and cross-linking during the postexposure bake, which was supported by FTIR and residual gas analysis. In conclusion, this class of bismuth-oxo cluster resists can lead to the development of more efficient, effective and safe EUV resist materials required for next-generation photolithography.

MacKenzie, Harvey K. [Univ. of Victoria, BC (Canad↗
NASA NTRS1978

Induced junction solar cell and method of fabrication

An induced junction solar cell is fabricated on a p-type silicon substrate by first diffusing a grid of criss-crossed current collecting n+ stripes and thermally growing a thin SiO2 film, and then, using silicon-rich chemical vapor deposition (CVD), producing a layer of SiO2 having inherent defects, such as silicon interstices, which function as deep traps for spontaneous positive charges. Ion implantation increases the stable positive charge distribution for a greater inversion layer in the p-type silicon near the surface. After etching through the oxide to parallel collecting stripes, a pattern of metal is produced consisting of a set of contact stripes over the exposed collecting stripes and a diamond shaped pattern which functions as a current collection bus. Then the reverse side is metallized.

Maserjian, J.↗
DOE OSTI2024

4D-STEM Mapping of Nanocrystal Reaction Dynamics and Heterogeneity in a Graphene Liquid Cell

Chemical reaction kinetics at the nanoscale are intertwined with heterogeneity in structure and composition. However, mapping such heterogeneity in a liquid environment is extremely challenging. Here, in this work, we integrate graphene liquid cell (GLC) transmission electron microscopy and four-dimensional scanning transmission electron microscopy to image the etching dynamics of gold nanorods in the reaction media. Critical to our experiment is the small liquid thickness in a GLC that allows the collection of high-quality electron diffraction patterns at low dose conditions. Machine learning-based data-mining of the diffraction patterns maps the three-dimensional nanocrystal orientation, groups spatial domains of various species in the GLC, and identifies newly generated nanocrystallites during reaction, offering a comprehensive understanding on the reaction mechanism inside a nanoenvironment. This work opens opportunities in probing the interplay of structural properties such as phase and strain with solution-phase reaction dynamics, which is important for applications in catalysis, energy storage, and self-assembly.

four-dimensional scanning transmission electron mi↗
DOE OSTI2021

Tandem Electrocatalytic CO 2 Reduction with Efficient Intermediate Conversion over Pyramid-Textured Cu–Ag Catalysts

If combined with renewably generated electricity, electrochemical CO 2 reduction (E-CO 2 R) could be used as a sustainable source of chemicals and fuels. Tandem catalysis approaches are attractive for providing the product selectivity, which would be required for commercial applications. Here, we demonstrate a two-step tandem electrocatalytic E-CO 2 R with efficient conversion of the intermediate species. The catalyst scaffold is Si(100), which is etched to form a textured surface consisting of micron-sized pyramid structures with the {111} facets. Two metals are used in the electrocatalytic cascade: Ag is employed to perform a two-electron reduction of CO 2 to the intermediate CO, and Cu performs conversion to more reduced products. Using high-angle physical vapor deposition, we form separated, micron-scale areas of the two electrocatalysts on opposite sides of the pyramids, with their relative surface coverages being tunable with the deposition angle. Compared to the textured scaffolds with blanket Ag and Cu used as controls, bimetallic pyramid tandem catalysts have higher current densities and much lower faradic efficiencies (FE) for CO. These effects are due to efficient conversion of the CO formed on Ag to more reduced products on Cu. Methane is the main product to be enhanced by the cascade pathway: a bimetallic catalyst with approximately equal coverages of Ag and Cu produces methane with a FE of 62% at -1.1 V RHE , corresponding to a partial current density of 12.7 mA cm -2 . We estimate an intermediate conversion yield for the CO intermediate of 80-90%, which is close to the mass-transport limited value predicted by reaction-diffusion simulations.

36 MATERIALS SCIENCE↗
NASA NTRS1991

High-voltage 6H-SiC p-n junction diodes

A chemical vapor deposition (CVD) process has been used to produce device structures of n- and p-type 6H-SiC epitaxial layers on commercially produced single-crystal 6H-SiC wafers. Mesa-style p-n junction diodes were successfully fabricated from these device structures using reactive ion etching, oxide passivation, and electrical contact metallization techniques. When tested in air, the 6H-SiC diodes displayed excellent rectification characteristics up to the highest temperature tested, 600 C. To observe avalanche breakdown of the p-n junction diodes, testing under a high-electrical-strength liquid was necessary. The avalanche breakdown voltage was 1000 V representing the highest reverse breakdown voltage to be reported for any CVD-grown SiC diode.

Matus, L. G.↗
DOE OSTI2020

Drying Spent Magnox Fuel for Interim Dry Storage

Spent Magnox fuel is usually stored under water for shielding and cooling following use in-reactor, but the storage water can react with Magnox clad fuel and cause corrosion and forms a sludge which generates a secondary waste product. One option to prevent unwanted corrosion and avoid expensive waste management is to dry the wet fuel. This project aims to test a drying process which will convert wet and corroded Magnox fuel to a stable form to demonstrate viability for conversion from wet to dry storage. Samples of corroded Magnox supplied by National Nuclear Laboratory. Corrosion product retrieved by various methods including dry scraping, ultrasonic treatment to form sludge and sludge drying to isolate suspension. TGA undertaken on Sample 1 and Sample 2, with brucite and hydromagnesite for comparison. Both samples showed ∼10% mass loss up to 250 deg. C attributable to water held in sample. Mass loss from dehydroxylation which liberates further water in both samples. TGA data plotted alongside chemically pure brucite and hydromagnesite shows expected similarities/differences between Sample 1(mostly brucite) and Sample 2 (brucite/hydromagnesite mixture). Following treatment, dried samples observed to slowly gain mass in ambient conditions. Presumed to be hygroscopic absorption of air water vapour as effect is reversible, with similar effect observed for hydromagnesite and brucite. Etched Magnox vacuum dried for 3.5 h at 90 deg. C to test for reaction with residual water - some discoloration but no noticeable corrosion observed. Drying etched Magnox metal to observe surface effects/corrosion during drying process.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Template‐Directed Growth of Palladium Nanoparticles in Holey Single‐Layer Graphene for High‐Performance Room‐Temperature Hydrogen Sensing

Holey graphene (HG), formed by introducing nanoscale perforations into graphene sheets, combines the structural advantages of continuous sp 2 conjugation with the beneficial effects of high surface area and enhanced chemical reactivity associated with nanoscopic holes. Conventional HG fabrication methods often rely on harsh oxidative treatments that compromise graphene's intrinsic electronic properties by disrupting its sp 2 conjugation. A new approach is introduced to fabricate HG directly from single-layer graphene (SLG), using two-dimensional covalent organic frameworks (COFs) as a template followed by controlled oxygen plasma etching. This method preserves the integrity of the SLG's sp 2 network while producing well-defined holes with an average diameter of 2.7 nm. These hole edges act as reactive sites that facilitate the confined, autoreductive growth of palladium nanoparticles (PdNPs) without external reducing agents. The confined hole geometry prevents NP agglomeration and ensures a uniform size distribution. The resulting Pd@HG hybrid exhibits exceptional chemiresistive hydrogen sensing characteristics, including ultrahigh sensitivity, low detection limits, rapid response and recovery, and long-term stability under both dry and humid conditions. Mechanistic investigations reveal a two-step sensing process involving surface redox interactions and hydrogen absorption into the PdNP lattices. This strategy presents a scalable platform for integrating metal NPs within conductive carbon frameworks for advanced sensing applications.

chemical vapor deposition↗
DOE OSTI2025

Deep potential molecular dynamics simulations of low-temperature plasma-surface interactions

Machine learning approaches to potential generation for molecular dynamics (MD) simulations of low-temperature plasma-surface interactions could greatly extend the range of chemical systems that can be modeled. Empirical potentials are difficult to generalize to complex combinations of multiple elements with interactions that might include covalent, ionic, and metallic bonds. This work demonstrates that a specific machine learning approach, Deep Potential Molecular Dynamics (DeepMD), can generate potentials that provide a good model of plasma etching in the Si-Cl-Ar system. Comparisons are made between MD results using DeepMD models and empirical potentials, as well as experimental measurements. Pure Si properties predicted by the DeepMD model are in reasonable agreement with experimental results. Simulations of Si bombardment by Ar + ions demonstrate the ability of the DeepMD method to predict sputtering yields as well as the depth of the amorphous-crystalline interface. Etch yields as a function of flux ratio and ion energy for simultaneous Cl 2 and Ar + impacts are in good agreement with previous simulation results and experiment. Predictions of etch yields and etch products during plasma-assisted atomic layer etching of Si-Cl 2 -Ar are shown to be in good agreement with MD predictions using empirical potentials and with experiment. Finally, good agreement was also seen with measurements for the spontaneous etching of Si by Cl atoms at 300 K. Further, the demonstration that DeepMD can reproduce results from MD simulations using empirical potentials is a necessary condition to future efforts to extend the method to a much wider range of systems for which empirical potentials may be difficult or impossible to obtain.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1974

Further development of chemical vapor deposition process for production of large diameter carbon-base monofilaments

The development of large diameter carbon-base monofilament in the 50 micron to 250 micron diameter range using the chemical vapor deposition process is described. The object of this program was to determine the critical process variables which control monofilament strength, monofilament modulus, and monofilament diameter. It was confirmed that wide scatter in the carbon substrate strength is primarily responsible for the scatter in the monofilament strength. It was also shown through etching experiments that defective substrate surface conditions which can induce low strength modular growth in the monofilament layers are best controlled by processing improvements during the synthesis of the substrate. Modulus was found to be linearily proportional to monofilament boron content. Filament modulus was increased to above 27.8MN/sq cm but only by a considerable increase in monofilament boron content to 60 wt. % or more. Monofilament diameter depended upon dwell time in the synthesis apparatus. A monofilament was prepared using these findings which had the combined properties of a mean U.T.S. of 398,000 N/sq cm, a modulus of 18.9 MN/sq cm (24,000,000 psi), and a diameter of 145 microns. Highest measured strength for this fiber was 451,000 N/sq cm (645,000 psi).

Hough, R. L.↗
NASA NTRS1978

Effects of ultrathin oxides in conducting MIS structures on GaAs

Schottky barrier-type GaAs baseline devices (semiconductor surface etched and then immediately metalized) and GaAs conducting metal oxide-semiconductor devices are fabricated and characterized. The baseline surfaces (no purposeful oxide) are prepared by a basic or an acidic etch, while the surface for the MIS devices are prepared by oxidizing after the etch step. The metallizations used are thin-film Au, Ag, Pd, and Al. It is shown that the introduction of purposeful oxide into these Schottky barrier-type structures examined on n-type GaAs modifies the barrier formation, and that thin interfacial layers can modify barrier formation through trapping and perhaps chemical reactions. For Au- and Pd-devices, enhanced photovoltaic performance of the MIS configuration is due to increased barrier height.

Childs, R. B.↗
NASA NTRS2015

Fabrication of Nanopipette Arrays for Biosensing

Method for providing a nanopipette array for biosensing applications. A thin substrate of anodizable metal ("AN-metal," such as Al, Mg, Zn, Ti, Ta and/or Nb) is anodized at temperature T=20-200.degree. C., chemical bath pH=4-6 and electrical potential 1-300 Volts, to produce an array of anodized nanopipette channels, having diameters 10-50 nm, with oxidized channel surfaces of thickness 5-20 nm. A portion of exposed non-oxidized AN-metal between adjacent nanopipette channels, of length 1-5 .mu.m, is etched away, exposing inner and outer surfaces of a nanopipette channel. A probe molecule, is deposited on one or both surfaces to provide biosensing capability for K(.gtoreq.1) target molecules. Target molecule presence, in an above-threshold concentration, in a fluid passed through or adjacent to a nanopipette channel, produces characteristic detection signals associated with the probe molecule site.

Meyyappan, Meyya↗
NASA NTRS1998

Buried Porous Silicon-Germanium Layers in Monocrystalline Silicon Lattices

Monocrystalline semiconductor lattices with a buried porous semiconductor layer having different chemical composition is discussed and monocrystalline semiconductor superlattices with a buried porous semiconductor layers having different chemical composition than that of its monocrystalline semiconductor superlattice are discussed. Lattices of alternating layers of monocrystalline silicon and porous silicon-germanium have been produced. These single crystal lattices have been fabricated by epitaxial growth of Si and Si-Ge layers followed by patterning into mesa structures. The mesa structures are strain etched resulting in porosification of the Si-Ge layers with a minor amount of porosification of the monocrystalline Si layers. Thicker Si-Ge layers produced in a similar manner emitted visible light at room temperature.

Fathauer, Robert W.↗
DOE OSTI2026

Recent progress in atomic-scale controlled plasma processing

Atomic-scale control in plasma processing is becoming increasingly critical for fabricating of advanced semiconductor devices, particularly as the industry shifts toward three-dimensional (3D) architectures and high-aspect-ratio (HAR) structures. This review presents a comprehensive overview of recent developments in atomic-scale controlled plasma processes, organized along two key directions: the hierarchical structure of plasma–surface interactions and the generational evolution of atomic layer processing (ALP) technologies. We examined the gas phase, where molecular design enables selective generation of ions and radicals; the boundary layer, where transport phenomena govern species delivery into nanoscale features, and the surface, where temperature-dependent reactions and cyclic processing determine etching selectivity and precision. Building on this foundation, we outline five generations of ALP—from thermal atomic layer deposition to transport-aware, temporally and structurally decoupled processes—highlighting the increasing sophistication of process control. The review further explores the transition from empirical recipe development to science-based, data-driven methodologies. By integrating quantum-chemical modeling, advanced diagnostics, and machine learning, we demonstrated how predictive models can link plasma species composition to process outcomes, enabling autonomous and adaptive control strategies. Finally, this review discusses the broader societal implications of plasma process innovation through the E4 quartet: energy and resource efficiency, environmental sustainability, evolutionary advancement, and educational promotion. These principles guide the development of sustainable and intelligent atomic-scale manufacturing technologies that are not only technically advanced but also socially responsible.

Ishikawa, Kenji [Nagoya Univ. (Japan)] (ORCID:0000↗
NASA NTRS2005

High Quality GaAs Growth by MBE on Si Using GeSi Buffers and Prospects for Space Photovoltaics

III-V solar cells on Si substrates are of interest for space photovoltaics since this would combine high performance space cells with a strong, lightweight and inexpensive substrate. However, the primary obstacles blocking III-V/Si cells from achieving high performance to date have been fundamental materials incompatabilities, namely the 4% lattice mismatch between GaAs and Si, and the large mismatch in thermal expansion coefficient. In this paper, we report on the molecular beam epitaxial (MBE) growth and properties of GaAs layers and single junction GaAs cells on Si wafers which utilize compositionally graded GeSi Intermediate buffers grown by ultra-high vacuum chemical vapor deposition (UHVCVD) to mitigate the large lattice mismatch between GaAs and Si. Ga As cell structures were found to incorporate a threading dislocation density of 0.9-1.5 x 10 (exp 6) per square centimeter, identical to the underlying relaxed Ge cap of the graded buffer, via a combination of transmission electron microscopy, electron beam induced current, and etch pit density measurements. AlGaAs/GaAs double heterostructures wre grown on the GeSi/Si substrates for time-resolved photoluminescence measurements, which revealed a bulk GaAs minority carrier lifetime in excess of 10 ns, the highest lifetime ever reported for GaAs on Si. A series of growth were performed to ass3ss the impact of a GaAs buffer to a thickness of only 0.1 micrometer. Secondary ion mass spectroscopy studies revealed that there is negligible cross diffusion of Ga, As and Ge at he III-V/Ge interface, identical to our earlier findings for GaAs grown on Ge wafers using MBE. This indicates that there is no need for a buffer to "bury" regions of high autodopjing,a nd that either pn or np configuration cells are easily accomodated by these substrates. Preliminary diodes and single junction Al Ga As heteroface cells were grown and fabricated on the Ge/GeSi/Si substrates for the first time. Diodes fabricated on GaAs, Ge and Ge/GeSi/Si substrate show nearly identical I-V characteristics in both forward and reverse bias regions. External quantum efficiencies of AlGaAs/GaAs cell structures grown on Ge/GeSi/Si and Ge substrates demonstrated nearly identical photoresponse, which indicates that high lifetimes, diffusion lengths and efficient minority carrier collection is maintained after complete cell processing.

Carlin, J. A.↗
NASA NTRS2003

The Highly Robust Electrical Interconnects and Ultrasensitive Biosensors Based on Embedded Carbon Nanotube Arrays

We report on our recent breakthroughs in two different applications using well-aligned carbon nanotube (CNT) arrays on Si chips, including (1) a novel processing solution for highly robust electrical interconnects in integrated circuit manufacturing, and (2) the development of ultrasensitive electrochemical DNA sensors. Both of them rely on the invention of a bottom-up fabrication scheme which includes six steps, including: (a) lithographic patterning, (b) depositing bottom conducting contacts, (c) depositing metal catalysts, (d) CNT growth by plasma enhanced chemical vapor deposition (PECVD), (e) dielectric gap-filling, and (f) chemical mechanical polishing (CMP). Such processes produce a stable planarized surface with only the open end of CNTs exposed, whch can be further processed or modified for different applications. By depositing patterned top contacts, the CNT can serve as vertical interconnects between the two conducting layers. This method is fundamentally different fiom current damascene processes and avoids problems associated with etching and filling of high aspect ratio holes at nanoscales. In addition, multiwalled CNTs (MWCNTs) are highly robust and can carry a current density of 10(exp 9) A/square centimeters without degradation. It has great potential to help extending the current Si technology. The embedded MWCNT array without the top contact layer can be also used as a nanoelectrode array in electrochemical biosensors. The cell time-constant and sensitivity can be dramatically improved. By functionalizing the tube ends with specific oligonucleotide probes, specific DNA targets can be detected with electrochemical methods down to subattomoles.

Li, Jun↗