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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Assessing hafnium on hafnia as an oxygen getter

Hafnium dioxide or hafnia is a wide band gap dielectric used in a range of electronic applications from field effect transistors to resistive memory. In many of these applications, it is important to maintain control over oxygen stoichiometry, which can be realized in practice by using a metal layer, specifically hafnium, to getter oxygen from the adjacent dielectric. In this paper, we employ density functional theory to study the thermodynamic stability of an interface between (100)-oriented monoclinic hafnia and hafnium metal. The nudged elastic band method is used to calculate the energy barrier for migration of oxygen from the oxide to the metal. Our investigation shows that the presence of hafnium lowers the formation energy of oxygen vacancies in hafnia, but more importantly the oxidation of hafnium through the migration of oxygen from hafnia is favored energetically.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Analytical Modeling of Triple-Metal Hetero-Dielectric DG SON TFET

In this paper, a 2-D analytical model of triple-metal hetero-dielectric DG TFET is presented by combining the concepts of triple material gate engineering and hetero-dielectric engineering. Three metals with different work functions are used as both front- and back gate electrodes to modulate the barrier at source/channel and channel/drain interface. In addition to this, front gate dielectric consists of high-K HfO{sub 2} at source end and low-K SiO{sub 2} at drain side, whereas back gate dielectric is replaced by air to further improve the ON current of the device. Surface potential and electric field of the proposed device are formulated solving 2-D Poisson’s equation and Young’s approximation. Based on this electric field expression, tunneling current is obtained by using Kane’s model. Several device parameters are varied to examine the behavior of the proposed device. The analytical model is validated with TCAD simulation results for proving the accuracy of our proposed model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Gold-supported cerium-doped NiO x catalysts for water oxidation

Here, the development of high-performance catalysts for the oxygen-evolution reaction (OER) is paramount for cost-effective conversion of renewable electricity to fuels and chemicals. Here we report the significant enhancement of the OER activity of electrodeposited NiO x films resulting from the combined effects of using cerium as a dopant and gold as a metal support. This NiCeO x –Au catalyst delivers high OER activity in alkaline media, and is among the most active OER electrocatalysts yet reported. On the basis of experimental observations and theoretical modelling, we ascribe the activity to a combination of electronic, geometric and support effects, where highly active under-coordinated sites at the oxide support interface are modified by the local chemical binding environment and by doping the host Ni oxide with Ce. The NiCeO x –Au catalyst is further demonstrated in a device context by pairing it with a nickel–molybdenum hydrogen evolution catalyst in a water electrolyser, which delivers 50 mA consistently at 1.5 V over 24 h of continuous operation.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Enhancing ferromagnetic resonance absorption for very thin insulating magnetic films with spin plasmonics

We consider enhancing the ferromagnetic resonance (FMR) absorption of very thin insulating magnetic films by placing it on top of a dielectric. We find that the signal is enhanced by at least an order of magnitude due to a new nonreciprocal interface resonance that is a mixture of the magnetic surface plasmon mode and a wave guide mode. This resonance occurs over a wide range of thicknesses of the dielectric that is still much less than the wavelength and is made possible by the negative magnetic susceptibility of the magnetic layer. The line width of absorption is reduced by an order of magnitude less than the Gilbert damping parameter. At some frequency, the group velocity of this resonance is negative. Experimentally, very thin yttrium iron garnet (YIG) films are grown on a Gadolinium Gallium Garnet (GGG) substrate which can be considered the dielectric. Our model applies to experiments performed in the YIG/GGG system. Indeed, our picture resolves the disagreement on the magnitude of the spin diffusion lengths obtained with the FMR and the Brillouin scattering techniques. It also provides for a way to make new adaptive thin film miniaturized photonic nonreciprocal devices with low loss.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

A measure of active interfaces in supported catalysts for high-temperature reactions

Formulating knowledge of structure-function relationships in heterogeneous catalysis is central to the design of efficient catalysts; yet, the elucidation of dominant reaction sites has remained as a challenge. Here, in this paper, we present a methodology that can be used to visualize metal-gas and metal-oxide-gas interfaces in three dimensions and to quantify their catalytic activity levels. As a case study, CH 4 oxidation occurring in a Pt/CeO 2 system is chosen. By employing thermally robust Pt@CeO 2 model catalysts with size-tunable and monodisperse cores, and gas-permeable shells, we reconstruct a series of structures in 3D via electron tomography and match the information to activity data and theoretical calculations. This strategy reveals that two different interfaces catalyze the CH 4 oxidation and that their contribution to the overall rate changes with the Pt size, temperature, and gas atmosphere. Our results provide an analytic platform on which to explore reaction pathways and mechanisms applicable to multiple reactions and materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Elucidating the impact of stress states on grain boundary passivation in Ni-5Cr using the Rhines pack method

The oxidation behavior of a Ni–5Cr (at.%) alloy was evaluated at 420 ° C using the Rhines pack method and simultaneous tensile and compressive stress states via a miniature four-point bending fixture. At this moderate temperature, grain boundaries dominate mass transport and the resulting oxidation response. Oxidation produced approximately 1μ⁢m-wide protective Cr 2 O 3 films capping some grain boundaries and penetrative, intergranular Cr-rich oxides at other grain boundaries. Externally applied tensile and compressive stress during oxidation increased the prevalence of Cr 2 O 3 cap formation compared to no applied stress, with tensile stress resulting in more Cr 2 O 3 caps than compressive stress. The observed oxide cap morphology was similar across all test conditions. Regions under compressive stress showed an order of magnitude greater Cr depletion depth along the grain boundary. Chromium nitrides (CrN), likely from N contamination of the Rhines pack cell, were observed both at the oxide–metal interface and intergranularly within the alloy. Collectively these results demonstrate that applied stress promotes localized protective oxide cap formation over grain boundaries, with compressive stress additionally promoting deeper Cr depletion. Furthermore the experimental approach helped separate out the effects of stress on local oxide formation and grain boundary passivation.

4 point bend↗
DOE OSTI2014

Interfacial oxygen migration and its effect on the magnetic anisotropy in Pt/Co/MgO/Pt films

This paper reports the interfacial oxygen migration effect and its induced magnetic anisotropy evolution in Pt/Co/MgO/Pt films. During depositing the MgO layer, oxygen atoms from the MgO combine with the neighboring Co atoms, leading to the formation of CoO at the Co/MgO interface. Meanwhile, the films show in-plane magnetic anisotropy (IMA). After annealing, most of the oxygen atoms in CoO migrate back to the MgO layer, resulting in obvious improvement of Co/MgO interface and the enhancement of effective Co-O orbital hybridization. These favor the evolution of magnetic anisotropy from IMA to perpendicular magnetic anisotropy (PMA). The oxygen migration effect is achieved by the redox reaction at the Co/MgO interface. On the contrary, the transfer from IMA to PMA cannot be observed in Pt/Co/Pt films due to the lack of interfacial oxygen migration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effect of MgO/Co interface and Co/MgO interface on the spin dependent transport in perpendicular Co/Pt multilayers

Effect of the metal/oxide interface on spin-dependent transport properties in perpendicular [Co/Pt]{sub 3} multilayers was investigated. The saturation Hall resistivity (ρ{sub xy}) is significantly increased by 45% with 1.4 nm thick CoO layer inserted at the top Co/MgO interface; whereas it is increased only 25% with 1 nm thick CoO layer at the bottom MgO/Co interface. The interfacial structures characterized by X-ray photoelectron spectroscopy show that the MgO/Co interface and Co/MgO interface including chemical states play a dominant role on spin-dependent transport, leading to different anomalous Hall behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

High field-effect mobility at the (Sr,Ba)SnO{sub 3}/BaSnO{sub 3} interface

A perovskite oxide, BaSnO{sub 3}, has been classified as one of transparent conducting materials with high electron mobility, and its application for field-effect transistors has been the focus of recent research. Here we report transistor operation in BaSnO{sub 3}-based heterostructures with atomically smooth surfaces, fabricated on SrTiO{sub 3} substrates by the (Sr,Ba)SnO{sub 3} buffer technique. Indeed, modulation of band profiles at the channel interfaces with the insertion of wide bandgap (Sr,Ba)SnO{sub 3} as a barrier layer results in a significant improvement of field-effect mobility, implying effective carrier doping at the regulated heterointerface. These results provide an important step towards realization of high-performance BaSnO{sub 3}-based field-effect transistors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Comprehensive study of Al-induced layer-exchange growth for orientation-controlled Si crystals on SiO{sub 2} substrates

Orientation-controlled crystalline Si films on insulating substrates are strongly required to achieve high-performance thin-film devices for next-generation electronics. We have comprehensively investigated the layer-exchange kinetics of Al-induced crystallization (AIC) in stacked structures, i.e., amorphous-Si/Al-oxide/Al/SiO{sub 2}-substrates, as a function of the air-exposure time of Al surfaces (t{sub air}: 0–24 h) to form Al-oxide interface-layers, the thickness of Al and Si layers (d{sub Al,} d{sub Si}: 50–200 nm), the annealing temperature (450–500 °C), and the annealing time (0–50 h). It has been clarified that longer t{sub air} (>60 min) and/or thinner d{sub Al} and d{sub Si} (<50 nm) lead to the (111) oriented growth; in contrast, shorter t{sub air} (<60 min) and/or thicker d{sub Al} and d{sub Si} (>100 nm) lead to the (100) oriented growth. No correlation between the annealing temperature and the crystal orientation is observed. Detailed analysis reveals that the layer-exchange kinetics are dominated by “supply-limited” processing, i.e., diffusion of Si atoms into Al layers through Al-oxide layer. Based on the growth rate dependent Si concentration profiles in Al layers, and the free-energy of Si at Al-oxide/Al or Al/SiO{sub 2} interfaces, a comprehensive model for layer-exchange growth is proposed. This well explains the experimental results of not only Si-AIC but also another material system such as gold-induced crystallization of Ge. In this way, a growth technique achieving the orientation-controlled Si crystals on insulating substrates is established from both technological and scientific points of view.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Evidence of an oxidation induced phase transformation for a delta phase plutonium-gallium alloy

The oxidation of an ~1.5 at% Ga plutonium metal alloy in dry air as a function of time was studied using a combination of FIB-SEM, AES, and XRD. Analysis of SEM images of FIB cross-sections of the oxide allowed for direct measurement of the oxide thickness as well as determination of heterogeneity in the extent of the oxide. AES analysis performed on cross-sections of the oxide allowed for quantitative analysis of the atomic composition and semi-quantitative analysis of the chemical composition. Initial preparation of the sample was found to induce a martensitic transformation to α' - Pu with an average thickness of 233 nm. Electropolishing was found to be sufficient to fully remove the α' layer with creation of only a minimum oxide layer. Growth of the oxide in dry air was found to initially follow parabolic kinetics, with a parabolic rate constant orders of magnitude higher than expected for δ-Pu but in-line with values extrapolated to room temperature for α-Pu. Following complete oxidation of the initial α` layer, further regions of plutonium metal depleted in gallium were observed to form at the oxide / metal interface. However, gallium, as Ga 2 O 3 , was found to be enriched at the surface and present in the oxide in an amount comparable to the relative Ga:Pu ratio of the bulk metal alloy. Finally, the results presented here serve to bridge a diverse array of previous experimental and theoretical data and provide the first comprehensive view of the fate of the δ-stabilizer during formation of an oxide.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Interfaces between hexagonal and cubic oxides and their structure alternatives

Multi-layer structure of functional materials often involves the integration of different crystalline phases. The film growth orientation thus frequently exhibits a transformation, owing to multiple possibilities caused by incompatible in-plane structural symmetry. Nevertheless, the detailed mechanism of the transformation has not yet been fully explored. Here we thoroughly probe the heteroepitaxially grown hexagonal zinc oxide (ZnO) films on cubic (001)-magnesium oxide (MgO) substrates using advanced scanning transition electron microscopy, X-ray diffraction and first principles calculations, revealing two distinct interface models of (001) ZnO/(001) MgO and (100) ZnO/(001) MgO. Here we have found that the structure alternatives are controlled thermodynamically by the nucleation, while kinetically by the enhanced Zn adsorption and O diffusion upon the phase transformation. Finally, this work not only provides a guideline for the interface fabrication with distinct crystalline phases but also shows how polar and non-polar hexagonal ZnO films might be manipulated on the same cubic substrate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Correlated memory resistor in epitaxial NdNiO{sub 3} heterostructures with asymmetrical proton concentration

The electronic devices using correlated transition metal oxides are the promising candidates to overcome the limitation of the current electronics due to the rich electronic phases and the extreme sensitivities. Here, we report proton-based resistive switching memory that uses correlated oxides, i.e., epitaxial NdNiO{sub 3} heterostructure with asymmetrical concentration of protons (H{sup +}) to obtain multilevel states. By designing such metal-NdNiO{sub 3}-metal device structures with asymmetrical proton concentration, we demonstrate that the correlated oxides exhibit resistive switching by ionic transport of protons at the metal-hydrogenated NdNiO{sub 3} (H-NNO) interface. This finding will guide the development of energy-efficient switching devices for non-volatile memory and neuromorphic applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1987

High-temperature oxidation/corrosion of iron-based superalloys

The oxidation and sulfidation of several novel iron-base superalloys were evaluated in high-temperature cyclic tests. The experimental austenitic alloys examined were modifications of NASAUT-4GA which were developed for Stirling-engine application. The weight gains and resulting surface scales were measured and analyzed. Mixed oxide scales were found to form on all specimens exposed above 871 C. The build-up of these scales led to a depletion of Mn and Cr in a zone adjacent to the oxides. In addition, the initial oxidation of the Fe-rich alloy was inhibited by a thin but tenacious Si layer which formed at the interface between oxides and the parent layer. Sulfidation tests using Na2SO4 coatings resulted in the formation of a protective spinel and alpha-Fe2O3 phases. Preferential attack of the carbide phase by hydrogen was not observed after 350 h at 871 C.

Lemkey, F. D.↗
DOE OSTI2015

p-Type Transparent Conducting Oxide/n-Type Semiconductor Heterojunctions for Efficient and Stable Solar Water Oxidation

Achieving stable operation of photoanodes used as components of solar water splitting devices is essential to realizing the promise of this renewable energy technology. It is demonstrated that p-type transparent conducting oxides (p-TCOs) can function both as a selective hole contact and corrosion protection layer for photoanodes used in light-driven water oxidation. Using NiCo 2 O 4 as the p-TCO and n-type Si as a prototypical light absorber, a rectifying heterojunction capable of light driven water oxidation was created. By placing the charge separating junction in the Si using a np + structure and by incorporating a highly active heterogeneous Ni-Fe oxygen evolution catalyst, efficient light-driven water oxidation can be achieved. In this structure, oxygen evolution under AM 1.5 G illumination occurs at 0.95 V vs RHE, and the current density at the reversible potential for water oxidation (1.23 V vs RHE) is >25 mA cm -2 . Stable operation was confirmed by observing a constant current density over 72 h and by sensitive measurements of corrosion products in the electrolyte. In situ Raman spectroscopy was employed to investigate structural transformation of NiCo 2 O 4 during electrochemical oxidation. The interface among the light absorber and p-TCO is crucial to produce selective hole conduction to the surface under illumination. For example, annealing to produce more crystalline NiCo 2 O 4 produces only small changes in its hole conductivity, while a thicker SiO x layer is formed at the n-Si/p-NiCo 2 O 4 interface, greatly reducing the PEC performance. The generality of the p-TCO protection approach is demonstrated by multihour, stable, water oxidation with n-InP/p-NiCo 2 O 4 heterojunction photoanodes.

Chen, Le↗
DOE OSTI2019

Investigation on the Surface Vortex Formation During Mechanical Stirring with an Axial-Flow Impeller Used in an Aluminum Process

The present study investigated the mechanism of surface vortex formation in an aluminum melt vessel stirred by an axial-flow impeller mechanically. The oxide film is formed at the aluminum melt/air interface, and the movement of the interface entrains the oxide film and inclusions. Hence, the transient movement of melt–air interface is significant. The present study conducted a water model experiment and numerical simulation focusing on the movement of gas–liquid interface. The present study found that the oxide film can be entrained by two phenomena: (1) local surface vortex and (2) sloshing near the vessel wall. The local surface vortex is formed due to the pressure distribution around the impeller, and the sloshing is caused by macroinstabilities, which is generated by the discharged flow of axial-flow impeller. Besides, the shape of gas–liquid interface is dependent on the impeller shape. The axial-flow impeller gives rise to steeply curved shape of gas–liquid interface near the impeller shaft.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Characterization of Shallow, Undoped Ge/SiGe Quantum Wells Commercially Grown on 8-in. (100) Si Wafers

Hole spins in Ge quantum wells have shown success in both spintronic and quantum applications, thereby increasing the demand for high-quality material. We performed material analysis and device characterization of commercially grown shallow and undoped Ge/SiGe quantum well heterostructures on 8-in. (100) Si wafers. Material analysis reveals the high crystalline quality, sharp interfaces, and uniformity of the material. We demonstrate a high mobility (1.7 × 10 5 cm 2 V –1 s –1 ) 2D hole gas in a device with a conduction threshold density of 9.2 × 10 10 cm –2 . We study the use of surface preparation as a tool to control barrier thickness, density, mobility, and interface trap density. We report interface trap densities of 6 × 10 12 eV –1 . Our results validate the material’s high quality and show that further investigation into improving device performance is needed. We conclude that surface preparations which include weak Ge etchants, such as dilute H 2 O 2 , can be used for postgrowth control of quantum well depth in Ge-rich SiGe while still providing a relatively smooth oxide–semiconductor interface. Our results show that interface state density is mostly independent of our surface preparations, thereby implying that a Si cap layer is not necessary for device performance. Transport in our devices is instead limited by the quantum well depth. Commercially sourced Ge/SiGe, such as studied here, will provide accessibility for future investigations.

36 MATERIALS SCIENCE↗