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Results for “oxide interface”

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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Observation of radiation induced changes in stress and electrical properties in MOS devices

Strain measurements using X-ray diffraction were performed on irradiated commercial and radiation-hardened metal gate CMOS devices in addition to polysilicon gate NMOS devices. I-V curves were taken and V(ot) and V(it) were separated using the subthreshold slope method for all devices. A correlation has been shown to exist between physical strain relaxation and the electrical properties as a function of radiation dose and recovery. Data shown suggest that the physical response (strain relaxation) in the silicon at the oxide interface is a measure of the type of damage induced and the recovery mechanism. Postradiation measurements of Delta V(it) and Delta V(ot) taken immediately after irradiation support the conclusions of V. Zekeriya and T.-P. Ma (1983) and K. Kasama et al. (1986, 1987); compressive stress at the silicon/SiO2 interface does reduce radiation damage in the device.

Shaw, D. C.↗
NASA NTRS2001

2-D Modeling of Nanoscale MOSFETs: Non-Equilibrium Green's Function Approach

We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions and oxide tunneling are treated on an equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. Electron-electron interaction is treated within Hartree approximation by solving NEGF and Poisson equations self-consistently. For the calculations presented here, parallelization is performed by distributing the solution of NEGF equations to various processors, energy wise. We present simulation of the "benchmark" MIT 25nm and 90nm MOSFETs and compare our results to those from the drift-diffusion simulator and the quantum-corrected results available. In the 25nm MOSFET, the channel length is less than ten times the electron wavelength, and the electron scattering time is comparable to its transit time. Our main results are: (1) Simulated drain subthreshold current characteristics are shown, where the potential profiles are calculated self-consistently by the corresponding simulation methods. The current predicted by our quantum simulation has smaller subthreshold slope of the Vg dependence which results in higher threshold voltage. (2) When gate oxide thickness is less than 2 nm, gate oxide leakage is a primary factor which determines off-current of a MOSFET (3) Using our 2-D NEGF simulator, we found several ways to drastically decrease oxide leakage current without compromising drive current. (4) Quantum mechanically calculated electron density is much smaller than the background doping density in the poly silicon gate region near oxide interface. This creates an additional effective gate voltage. Different ways to. include this effect approximately will be discussed.

Svizhenko, Alexei↗
NASA NTRS2015

Creep Behavior and Durability of Cracked CMC

To understand failure mechanisms and durability of cracked Ceramic matrix composites (CMCs), Melt Infiltration (MI) SiCSiC composites with Sylramic-iBN fibers and full Chemical vapour infiltration SiCSiC composites with Sylramic-ion bombarded BN (iBN) and Hi-Nicalon -S fibers were pre-cracked between 150 to 200 megapascal and then creep and Sustained Peak Low Cycle Fatigue (SPLCF) tested at 13150 C at stress levels from 35 to 103 megapascal for up to 200 hours under furnace and burner rig conditions. In addition creep testing was also conducted on pre-cracked full Chemical vapour infiltration SiCSiC composites at 14500 C between 35 and 103 megapascal for up to 200 hours under furnace conditions. If the specimens survived the 200 hour durability tests, then they were tensile tested at room temperature to determine their residual tensile properties. The failed specimens were examined by Scanning electron microscope (SEM) to determine the failure modes and mechanisms. The influence of crack healing matrix, fiber types, crack density, testing modes and interface oxidation on durability of cracked Ceramic matrix composites (CMCs) will be discussed.

Creep↗
DOE OSTI2025

Exploring Atomic-Scale Interactions at the Interface of Reducible Oxide and Ruthenium Nanocatalyst for Ammonia Decomposition

Restructuring atomic-scale interfaces between noble metal nanoparticles and metal oxides provides a promising approach to enhancing catalytic properties. In this study, Ru nanoparticles were supported on CeO 2 , ZrO 2 , and HfO 2 via pyrolysis of MOFs under oxygen-suppressed high-temperature conditions. Despite its nearly ideal particle size (∼2.3 nm), the Ru–CeO 2 /C catalyst exhibited the lowest ammonia decomposition activity. X-ray absorption spectroscopy and DFT calculations revealed that electron transfer from Ru to CeO 2 formed positively charged Ru and partially reduced Ce 4+ , weakening the catalytic performance. In contrast, oxygen-deficient ZrO 2 and HfO 2 support donated electrons to Ru, preserving its metallic state. These findings demonstrate that the reducibility of oxide supports governs the direction and magnitude of interfacial charge transfer, directly tuning catalytic behavior. This study provides insights into the design of oxide-supported Ru catalysts for ammonia decomposition.

Catalysts↗
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.↗
NASA NTRS1979

A study to investigate the chemical stability of gallium phosphate oxide/gallium arsenide phosphide

The elemental composition with depth into the oxide films was examined using secondary ion mass spectrometry. Results indicate that the layers are arsenic-deficient through the bulk of the oxide and arsenic-rich near both the oxide surface and the oxide-semiconductor interface region. Phosphorus is incorporated into the oxide in an approximately uniform manner. The MIS capacitor structures exhibited deep-depletion characteristics and hysteresis indicative of electron trapping at the oxide-semiconductor interface. Post-oxidation annealing of the films in argon or nitrogen generally results in slightly increased dielectric leakage currents and decreased C-V hysteresis effects, and is associated with arsenic loss at the oxide surface. The results of bias-temperature stress experiments indicate that the major instability effects are due to changes in the electron trapping behavior. No changes were observed in the elemental profiles following electrical stressing, indicating that the grown films are chemically stable under device operating conditions.

Kuhlman, G. J.↗
NASA NTRS1980

Intensity analysis of XPS spectra to determine oxide uniformity - Application to SiO2/Si interfaces

A simple method of determining oxide uniformity is derived which requires no knowlege of film thickness, escape depth, or film composition. The method involves only the measurement of oxide and substrate intensities and is illustrated by analysis of XPS spectral data for thin SiO2 films grown both thermally and by low-temperature chemical vapor deposition on monocrystalline Si. A region 20-30 A thick is found near the SiO2/Si interface on thermally oxidized samples which has an inelastic mean free path 35% less than that found in the bulk oxide. This is interpreted as being due to lattice mismatch resulting in a strained region which is structurally, but not stoichiometrically, distinct from the bulk oxide.

Vasquez, R. P.↗
DOE OSTI2025

On the Structure–Property Relationship of Semi‐Coherent FeCr 2 O 4 /Cr 2 O 3 Spinel/Corundum Interfaces

Abstract Oxide heterointerfaces are extremely common in both natural and artificial composite structures, including corroded structural materials. Often, key properties such as segregation and atomic transport are dictated by the structure of these interfaces. However, despite this critical link, very few heterointerfaces have been studied in any detail at the atomic scale. Here, one important oxide heterointerface is examined, between spinel and corundum, using the chemical system FeCr 2 O 4 /Cr 2 O 3 as a representative and technologically important case. Using atomistic simulation techniques, it is found that the structure, particularly the local chemistry, of the interface depends on the crystal chemistry at the interface. This atomic and chemical structure further impacts important properties such as defect segregation and mass transport. It is found that defects can nucleate at some regions of these interfaces and migrate back and forth across the corundum layer, suggesting high atomic mobility that may be important for the evolution of spinel/corundum composite structures in extreme conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Infrared spectral signatures of interfacial water at TiO 2 –electrolyte interfaces from deep potential molecular dynamics

Vibrational spectroscopy is a powerful tool for probing water at oxide–electrolyte interfaces, but its molecular interpretation can be challenging. Here, we employ deep potential long-range molecular dynamics simulations with layer-resolved spectral analysis to investigate the microscopic origins of the infrared (IR) response of water at the interface with anatase TiO 2 (101), a prototypical oxide surface. The calculated interfacial spectra exhibit characteristic modifications compared to bulk water IR spectra, including enhanced intensities, a red shifted and broadened stretching band, and a higher-frequency shoulder, in qualitative agreement with experiments. Spectral decomposition shows that these signatures originate mainly from the first interfacial water layer, dominated by surface-bound H 2 O at Ti 5C sites, with secondary contributions from the second layer. A moderate salt concentration (0.4 M NaCl) leaves both the interfacial structure and the spectra essentially unchanged, while tuning the pH strongly modulates the spectral intensity. We establish a scaling relation linking the spectral intensity to the surface water dissociation fraction and the dipole moment, both governed by interfacial electric fields. These findings provide a microscopic framework for interpreting IR spectra of oxide–electrolyte interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1981

Microstructure of Al2O3 scales formed on NiCrAl alloys

The structure of transient scales formed on pure and Y or Zr-doped Ni-15Cr-13Al alloys oxidized for 0.1 hr at 1100 C was studied by the use of transmission electron microscopy. Crystallographically oriented scales were found on all three alloys, but especially for the Zr-doped NiCrAl. The oriented scales consisted of alpha-(Al,Cr)2O3, Ni(Al,Cr)2O4 and gamma-Al2O3. They were often found in intimate contact with each other such that the close-packed planes and directions of one oxide phase were aligned with those of another. The prominent structural features of the oriented scales were approximately equal to micrometer subgrains; voids, antiphase domain boundaries and aligned precipitates were also prevalent. Randomly oriented alpha-Al2O3 was also found and was the only oxide ever observed at the immediate oxide metal interface. These approximately 0.15 micrometer grains were populated by intragranular voids which decreased in size and number towards the oxide metal interface. A sequence of oxidation was proposed in which the composition of the growing scale changed from oriented oxides rich in Ni and Cr to oriented oxides rich in Al. At the same time the structure changed from cubic spinels to hexagonal corundums with apparent precipitates of one phase in the matrix of the other. Eventually randomly oriented pure alpha-Al2O3 formed as the stable oxide with an abrupt transition: there was no gradual loss of orientation, no gradual compositional change or no gradual decrease in precipitate density.

Smialek, J. L.↗
NASA NTRS1981

Oxygen impurity effects at metal/silicide interfaces - Formation of silicon oxide and suboxides in the Ni/Si system

The effect of implanted oxygen impurities on the Ni/Ni2Si interface is investigated using X-ray photoelectron spectroscopy, He-4(+) backscattering and O(d, alpha)-16 N-14 nuclear reactions. Oxygen dosages corresponding to concentrations of 1, 2, and 3 atomic percent were implanted into Ni films evaporated on Si substrates. The oxygen, nickel, and silicon core lines were monitored as a function of time during in situ growth of the Ni silicide to determine the chemical nature of the diffusion barrier which forms in the presence of oxygen impurities. Analysis of the Ni, Si, and O core levels demonstrates that the formation of SiO2 is responsible for the Ni diffusion barrier rather than Ni oxide or mixed oxides, such as Ni2SiO4. It is determined that 2.2 x 10 to the 16th O/qu cm is sufficient to prevent Ni diffusion under UHV annealing conditions.

Grunthaner, P. J.↗
DOE OSTI2024

Handbook of Molecular Beam Epitaxy of Oxide Materials: Epitaxial Complex Oxide Growth on Semiconductors

This chapter covers the epitaxy of complex oxides on common inorganic semiconductors. The chapter opens with an introduction, motivating the subject and highlighting key general challenges (Section 6.1). We then proceed to describe the general steps of the growth procedure in Section 6.2, which concludes with an overall discussion about trade-offs and expectation management, with an emphasis on the oxide–semiconductor interface. From there, the text describes oxide growth on the common semiconductors, starting with silicon (Section 6.3), where surface reactions and oxidation are the most challenging aspects. Oxide epitaxy on germanium is described in Section 6.4, which is a less challenging oxide growth scheme on semiconductors. Section 6.5 describes oxide epitaxy on gallium arsenide, one of the more challenging schemes, where interface stability and surface preparation pose key challenges. Finally, in Section 6.6, oxide epitaxy on gallium nitride is described, where the lattice mismatch takes the stage as the key challenge. Altogether, this chapter aims to provide the reader with the practical knowledge, tactics and strategies for oxide epitaxy on semiconductors.

Demkov, Alexander A↗
NASA NTRS1989

TEM studies of oxidized NiAl and Ni3Al cross sections

Cross sections of oxide scale/(Ni-Al) intermetallics were prepared by a new method and studied using primarily TEM. The cross sections were prepared by encasing an oxidized metal specimen sandwich in a low-melting-temperature zinc alloy. Observations of oxidized zirconium-doped beta-NiAl cross sections revealed crystallographic voids beneath an adherent Al2O3 scale. The oxide-metal interface was incoherent, but a high dislocation density in the metal near the interface suggested that a large tensile stress was induced by the attached oxide scale. A duplex Al2O3-NiAl2O4 scale formed on zirconium-doped and zirconium/boron-doped gamma-prime-Ni3Al alloys. Additional results are presented involving oxidation mechanisms and oxide-metal interface structures.

Doychak, J.↗
DOE OSTI2026

Continuity of reaction kinetics across the pressure and materials gaps in CO oxidation on FeO–Pt interfaces

Translating atomic-scale insights from surface science studies of model catalysts to practical powder catalysts remains a persistent challenge in heterogeneous catalysis. Here, in this study, we demonstrate mechanistic continuity across the pressure and materials gaps during CO oxidation at the FeO-Pt interface using in situ microscopy, spectroscopy and computational modelling. Under reaction conditions, coordinatively unsaturated Fe (Fe cus ) sites at the interface enable selective O 2 activation on CO-saturated surfaces, circumventing the CO-poisoning limitation of platinum-group metals. We identify parallel reaction pathways involving the *O 2 -*CO intermediate. Remarkably, activation energies remain consistent at 12-15 kJ mol −1 (0.12-0.16 eV) from ultrahigh vacuum to atmospheric pressures and from FeO/Pt(111) model catalysts to FeO/Pt powder catalysts, validating mechanistic insights derived from surface science studies. Our findings show an example of bridging the long-standing divide between model and practical catalyst systems, establishing an effective approach to capture catalytic behaviours under operational conditions and advancing mechanism-driven catalyst design.

03 NATURAL GAS↗
DOE OSTI2025

Preventing native oxide formation in niobium thin films through platinum encapsulation

Superconducting transmon qubits are a key technology in quantum computing, with niobium (Nb) widely used due to its favorable superconducting properties and compatibility with scalable fabrication. However, the performance of Nb-based qubits is hindered by two-level systems (TLS), which arise predominantly from native oxide layers at surfaces and interfaces. These oxides and suboxides form rapidly in air and contribute significantly to decoherence by introducing dielectric losses. While various mitigation strategies, including thermal-annealing, chemical-etching, and nitrogen plasma treatment, have been explored, many are challenging to integrate into large-scale manufacturing due to complexity and instability in ambient conditions. In this study, we investigate the structural, chemical, and superconducting properties of room-temperature sputtered Nb thin films grown on sapphire substrates. We focus on a surface protection strategy using noble metal encapsulation with platinum (Pt) to suppress oxides and reduce TLS-related losses. Structural and chemical characterization were performed using X-ray diffraction, X-ray photoelectron spectroscopy, and transmission electron microscopy. Superconducting properties were measured using a physical property measurement system. Results demonstrate that Pt encapsulation effectively suppresses surface oxidation and mitigates its detrimental impact on superconducting performance. In conclusion, this approach offers a promising path toward enhancing the coherence of Nb-based qubits while remaining compatible with scalable-fabrication processes.

36 MATERIALS SCIENCE↗
NASA NTRS1993

A sulfur segregation study of PWA 1480, NiCrAl, and NiAl alloys

Some nickel based superalloys show reduced oxidation resistance from the lack of an adherent oxide layer during high temperature cyclic oxidation. The segregation of sulfur to the oxide-metal interface is believed to effect oxide adhesion, since low sulfur alloys exhibit enhanced adhesion. X ray Photoelectron Spectroscopy (XPS) was combined with an in situ sample heater to measure sulfur segregation in NiCrAl, PWA 1480, and NiAl alloys. The polished samples with a 1.5 to 2.5 nm (native) oxide were heated from 650 to 1100 C with hold times up to 6 hr. The sulfur concentration was plotted as a function of temperature versus time at temperature. One NiCrAl sulfur study was performed on the same casting used by Browning to establish a base line between previous Auger Electron Spectroscopy (AES) results and the XPS results of this study. Sulfur surface segregation was similar for PWA 1480 and NiCrAl and reached a maximum of 30 at% at 800 to 850 C. Above 900 C the sulfur surface concentration decreased to about 3 at% at 1100 C. These results are contrasted to the minimal segregation observed for low sulfur hydrogen annealed materials which exhibit improved scale adhesion.

Jayne, D. T.↗
DOE OSTI2026

Nickel Interlayer for Improved Silver Complex Inks Metallization in GaAs Photovoltaic Devices

Large areas of III-V photovoltaic panels are essential to supplying operational energy for a growing demand of satellites of strategic importance to the United States military, covering a range of applications. High fabrication costs and low manufacturing throughput are key barriers to meeting the necessary supply, which can in turn jeopardize mission success. At the device level, metallization based on printing of complex metal inks has attracted significant research interest due to its potential to substantially reduce processing costs and increase throughput while achieving electrical performance comparable to those of conventional metallization schemes. For GaAs photovoltaic devices, however, reliable electrical contacting remains challenging due to the formation of an interfacial oxide layer at the metal-semiconductor interface. This oxide barrier severely limits current extraction from the PV absorber, resulting in unacceptably high contact resistance. In this study, we report the introduction of a reactive nickel (Ni) interfacial layer between the silver metal fingers and the GaAs substrate to suppress oxide formation while maintaining a low-resistance electrical interface, and show performance data from fully fabricated GaAs devices incorporating the Ni interlayer. These results demonstrate the potential of reactive Ni ink as an effective interfacial layer for improved electrical contacting in low-cost PV metallization schemes.

14 SOLAR ENERGY↗