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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Topotaxial growth of α-Fe{sub 2}O{sub 3} nanowires on iron substrate in thermal annealing method

A detail cross-sectional transmission electron microscopy of as-grown α-Fe{sub 2}O{sub 3} nanowire sample, synthesized on iron substrate by thermal annealing method, was carried out to understand the mechanism of growth in this system. Iron undergoes sequential oxidation to form a layered structure of Fe/FeO/Fe{sub 3}O{sub 4}/α-Fe{sub 2}O{sub 3}. α-Fe{sub 2}O{sub 3} nanowires grow on to the top of α-Fe{sub 2}O{sub 3} layer. It was found that subsequent oxide layers grow topotaxially on the grains of iron, which results in a direct orientation relationship between the α-Fe{sub 2}O{sub 3} nanowire and the parent grain of iron. The results also showed that the grains of α-Fe{sub 2}O{sub 3} layer, which were uniquely oriented in [110] direction, undergo highly anisotropic growth to form the nanowire. This anisotropic growth occurs at a twin interface, given by (−11−1), in the α-Fe{sub 2}O{sub 3} layer. It was concluded that the growth at twin interface could be the main driving factor for such anisotropic growth. These observations are not only helpful in understanding the growth mechanism of α-Fe{sub 2}O{sub 3} nanowires, but it also demonstrates a way of patterning the nanowires by controlling the texture of iron substrate.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Enabling High Stability of Co-Free LiNiO 2 Cathode via a Sulfide-Enriched Cathode Electrolyte Interface

Cobalt-free lithium nickel oxide (LNO) has garnered significant interest as the end member of high-nickel layered oxide cathodes for next-generation batteries. However, its practical performance notably underperforms expectations because of the structural degradation and unstable interfacial chemistry with electrolytes during cycling. Here, in this study, we report that a durable cathode-electrolyte interface (CEI), enriched by in situ formed sulfides and borides, can inhibit LNO structural degradation and suppress Ni ion dissolution. With the CEI protection, the stability of LNO can be remarkably extended, and batteries demonstrate a capacity retention rate of 84% (30 °C) and 79% (50 °C) after 200 cycles at 1C, respectively. These results demonstrate that enriching CEI with sulfur-containing species can effectively stabilize the interfacial chemistry of LNO, particularly at an elevated temperature of 50 °C. This finding provides valuable perspectives on designing electrolytes for cobalt-free LNO and other high-Ni cathodes toward the development of next-generation high-energy-density lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2016

Interpreting anomalies observed in oxide semiconductor TFTs under negative and positive bias stress

Oxide semiconductor thin-film transistors can show anomalous behavior under bias stress. Two types of anomalies are discussed in this paper. The first is the shift in threshold voltage (V{sub TH}) in a direction opposite to the applied bias stress, and highly dependent on gate dielectric material. We attribute this to charge trapping/detrapping and charge migration within the gate dielectric. We emphasize the fundamental difference between trapping/detrapping events occurring at the semiconductor/dielectric interface and those occurring at gate/dielectric interface, and show that charge migration is essential to explain the first anomaly. We model charge migration in terms of the non-instantaneous polarization density. The second type of anomaly is negative V{sub TH} shift under high positive bias stress, with logarithmic evolution in time. This can be argued as electron-donating reactions involving H{sub 2}O molecules or derived species, with a reaction rate exponentially accelerated by positive gate bias and exponentially decreased by the number of reactions already occurred.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1987

Strong metal-support interactions

It has been demonstrated that synergistic metal-support effects can occur which markedly enhance specific activity and alter selectivity in certain reactions. Because of the presence of such effects in certain reactions conducted under reducing conditions (that is, under H2 pressure), but not others, the creation of unique sites at the metal-support interface seems to be the best model at the present time to explain this behavior. The postulation of these sites, which are specific for a certain reactant such as CO, provides an effective explanation for the higher methanation rates that have been reported over some catalysts. The creation of these sites in the adlineation zone is facilitated by hydrogen spillover from the metal surface, and this same process can also enhance the reduction of many oxide supports. Although oxygen spillover is much less probable due to its higher heat of adsorption, it is much less well understood and the possibility of rate enhancements in CO oxidation caused by special interface sites cannot be discounted at the present time. Consequently, this seems to be an important area of future research.

Vannice, M. Albert↗
DOE OSTI2015

X-ray magnetic circular dichroism study of epitaxial magnetite ultrathin film on MgO(100)

The spin and orbital magnetic moments of the Fe{sub 3}O{sub 4} epitaxial ultrathin film synthesized by plasma assisted simultaneous oxidization on MgO(100) have been studied with X-ray magnetic circular dichroism. The ultrathin film retains a rather large total magnetic moment, i.e., (2.73 ± 0.15) μ{sub B}/f.u., which is ∼70% of that for the bulk-like Fe{sub 3}O{sub 4}. A significant unquenched orbital moment up to 0.54 ± 0.05 μ{sub B}/f.u. was observed, which could come from the symmetry breaking at the Fe{sub 3}O{sub 4}/MgO interface. Such sizable orbital moment will add capacities to the Fe{sub 3}O{sub 4}-based spintronics devices in the magnetization reversal by the electric field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Mitigating coherent loss in superconducting circuits using molecular self-assembled monolayers

In planar superconducting circuits, decoherence due to materials imperfections, especially two-level-system (TLS) defects at different interfaces, is a primary hurdle for advancing quantum computing and sensing applications. Traditional methods for mitigating TLS loss, such as etching oxide layers at metal and substrate interfaces, have proven to be inadequate due to the persistent challenge of oxide regrowth. In this work, we introduce a novel approach that employs molecular self-assembled monolayers (SAMs) to chemically bind at different interfaces of superconducting circuits. This technique is specifically tested here on coplanar waveguide (CPW) resonators, in which this method not only impedes oxide regrowth after surface etching but can also tailors the dielectric properties at different resonators interfaces. The deployment of SAMs results in a consistent improvement in the measured quality factors across multiple resonators, surpassing those with only oxide-etched resonators. The efficiency of our approach is supported by microwave measurements of multiple devices conducted at millikelvin temperatures and correlated with detailed X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM) characterizations of SAM-passivated resonators. The compatibility of SAMs materials with the established fabrication techniques offers a promising route to improve the performance of superconducting quantum devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Magnetic phase transitions in Ta/CoFeB/MgO multilayers

We study thin films and magnetic tunnel junction nanopillars based on Ta/Co{sub 20}Fe{sub 60}B{sub 20}/MgO multilayers by electrical transport and magnetometry measurements. These measurements suggest that an ultrathin magnetic oxide layer forms at the Co{sub 20}Fe{sub 60}B{sub 20}/MgO interface. At approximately 160 K, the oxide undergoes a phase transition from an insulating antiferromagnet at low temperatures to a conductive weak ferromagnet at high temperatures. This interfacial magnetic oxide is expected to have significant impact on the magnetic properties of CoFeB-based multilayers used in spin torque memories.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Band alignment of HfO{sub 2}/AlN heterojunction investigated by X-ray photoelectron spectroscopy

The band alignment between AlN and Atomic-Layer-Deposited (ALD) HfO{sub 2} was determined by X-ray photoelectron spectroscopy (XPS). The shift of Al 2p core-levels to lower binding energies with the decrease of take-off angles θ indicated upward band bending occurred at the AlN surface. Based on the angle-resolved XPS measurements combined with numerical calculations, valence band discontinuity ΔE{sub V} of 0.4 ± 0.2 eV at HfO{sub 2}/AlN interface was determined by taking AlN surface band bending into account. By taking the band gap of HfO{sub 2} and AlN as 5.8 eV and 6.2 eV, respectively, a type-II band line-up was found between HfO{sub 2} and AlN.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Identifying Dense NiSe 2 /CoSe 2 Heterointerfaces Coupled with Surface High-Valence Bimetallic Sites for Synergistically Enhanced Oxygen Electrocatalysis

Constructing heterostructures with abundant interfaces is essential for integrating the multiple functionalities in single entities. Herein, the synthesis of NiSe 2 /CoSe 2 heterostructures with different interfacial densities via an innovative strategy of successive ion injection is reported. The resulting hybrid electrocatalyst with dense heterointerfaces exhibits superior electrocatalytic properties in an alkaline electrolyte, superior to other benchmarks and precious metal catalysts. Advanced synchrotron techniques, post structural characterizations, and density functional theory (DFT) simulations reveal that the introduction of atomic-level interfaces can lower the oxidation overpotential of bimetallic Ni and Co active sites (whereas Ni$^{2+}$ can be more easily activated than Co$^{2+}$) and induce the electronic interaction between the core selenides and surface in situ generated oxides/hydroxides, which play a critical role in synergistically reducing energetic barriers and accelerating reaction kinetics for catalyzing the oxygen evolution. Hence, the heterointerface structure facilitates the catalytic performance enhancement via increasing the intrinsic reactivity of metallic atoms and enhancing the synergistic effect between the inner selenides and surface oxidation species. This work not only complements the understanding on the origins of the activity of electrocatalysts based on metal selenides, but also sheds light on further surface and interfacial engineering of advanced hybrid materials.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Electrochemically influenced cation inter-diffusion and Co 3 O 4 formation on La 0.6 Sr 0.4 CoO 3 infiltrated into SOFC cathodes

Nanosized LSC electrocatalyst was infiltrated into a porous scaffold cathode composed of Sm 2 O 3 -doped CeO 2 (SDC) and La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3-δ (LSCF) in a commercial button solid oxide fuel cell (SOFC). To understand the stability of cathodes infiltrated with LSC, the infiltrated composite cells were subjected to both electrochemical operating and thermal aging states at 750 °C for 1500 h. Nanostructure and local chemistry evolution of La 0.6 Sr 0.4 CoO 3 (LSC) infiltrated cathodes upon operation and aging were investigated by transmission electron microscopy. After operation, the LSC remained a cubic perovskite, and the crystal grains exhibit comparable size to as-infiltrated LSC grains. Inter-diffusion of Fe from the LSCF to a Fe-incorporated LSC layer developed on the LSCF backbone. However, only sharp interfaces were observed between LSC and SDC backbone in the as-infiltrated cathode and such interfaces remain after operation. The infiltrated LSC on the SDC backbone also retains granular particle morphology. Furthermore, newly grown Co 3 O 4 nanocrystals were found in the operated cathode. After thermal aging, on the other hand, cation inter-diffusion across the interfaces of the infiltrate particles and the cathode backbones is less than that from the operated cells. Lastly, the following hypothesis is proposed: Co 3 O 4 forms on LSC arising from local charge balancing between cobalt and oxygen vacancies.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2016

Effect of top gate potential on bias-stress for dual gate amorphous indium-gallium-zinc-oxide thin film transistor

We report the abnormal behavior of the threshold voltage (V{sub TH}) shift under positive bias Temperature stress (PBTS) and negative bias temperature stress (NBTS) at top/bottom gate in dual gate amorphous indium-gallium-zinc-oxide (a-IGZO) thin-film transistors (TFTs). It is found that the PBTS at top gate shows negative transfer shift and NBTS shows positive transfer shift for both top and bottom gate sweep. The shift of bottom/top gate sweep is dominated by top gate bias (V{sub TG}), while bottom gate bias (V{sub BG}) is less effect than V{sub TG}. The X-ray photoelectron spectroscopy (XPS) depth profile provides the evidence of In metal diffusion to the top SiO{sub 2}/a-IGZO and also the existence of large amount of In{sup +} under positive top gate bias around top interfaces, thus negative transfer shift is observed. On the other hand, the formation of OH{sup −} at top interfaces under the stress of negative top gate bias shows negative transfer shift. The domination of V{sub TG} both on bottom/top gate sweep after PBTS/NBTS is obviously occurred due to thin active layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Exploiting Fixed Charge at Selective Contacts for Silicon Photovoltaics

The goal of this work was to examine and exploit fixed interface charges in ultra-thin (0-3 nm thickness) tunnel dielectric layers sandwiched between silicon and selective contact metal oxides (molybdenum oxide, MoO x , titanium oxide, TiO 2 ). Specifically, the interface fixed charge was varied by changing processing conditions and materials over a wide range and the effect on the current-voltage behavior and the Schottky barrier height was quantified. In budget period 1 (year 1), the objective was to grow aluminum oxide tunnel layers with quantified fixed charge over a range of ~1E12 to ~-2E12 cm -2 and combine these with MoO x and TiO 2 layers on Czochralsi (CZ) mono p- and n-Si, respectively. We sought conditions that maximize fixed charge and minimize Schottky barrier height to MoO x contacts to p-Si. This objective, along with investigating the effects of silicon surface terminations, occupied the majority of the project timeline (Q1-Q8) due to complications with high specific contact resistivity values. In the last two quarters of the project period, the objective was to insert HfO2 layers between Si and aluminum oxide layers to quench the fixed charge for layers with otherwise identical thermal history. Another objective was to lower the barrier height at TiO 2 -based contacts on n-type Si, but that was never investigated completely.

14 SOLAR ENERGY↗
NASA NTRS1984

Literature survey on oxidations and fatigue lives at elevated temperatures

Nickel-base superalloys are the most complex and the most widely used for high temperature applications such as aircraft engine components. The desirable properties of nickel-base superalloys at high temperatures are tensile strength, thermomechanical fatigue resistance, low thermal expansion, as well as oxidation resistance. At elevated temperature, fatigue cracks are often initiated by grain boundary oxidation, and fatigue cracks often propagate along grain boundaries, where the oxidation rate is higher. Oxidation takes place at the interface between metal and gas. Properties of the metal substrate, the gaseous environment, as well as the oxides formed all interact to make the oxidation behavior of nickel-base superalloys extremely complicated. The important topics include general oxidation, selective oxidation, internal oxidation, grain boundary oxidation, multilayer oxide structure, accelerated oxidation under stress, stress-generation during oxidation, composition and substrate microstructural changes due to prolonged oxidation, fatigue crack initiation at oxidized grain boundaries and the oxidation accelerated fatigue crack propagation along grain boundaries.

Liu, H. W.↗
DOE OSTI2021

A review of technologies for welding magnesium alloys to steels

Here we review various state-of-the-art methods for welding magnesium alloys and steels using different joint configurations. Microstructural characterizations indicate that four microstructures may form at the Mg/steel interface after welding: unwelded gap, metal oxides, solid solutions, or intermetallic compounds. Reaction products at the Mg/steel interface vary with different welding methods, alloying elements in base materials, interlayers or coatings applied, and preparations of base material before welding. Regarding mechanical property characterization, (a) lap tensile shear testing for lap-welded and spot-welded joints, (b) tensile testing for butt-welded joints and (c) fatigue properties of lap-welded and spot-welded joints are summarized and compared, separately. Reaction products at the Mg/steel interface are correlated with mechanical properties. Finally, ways to enhance Mg/steel joint strength, such as introducing interlocking features during friction stir lap and butt welding, are discussed.

Wang, Tianhao↗
DOE OSTI2022

Avoiding CO 2 Improves Thermal Stability at the Interface of Li 7 La 3 Zr 2 O 12 Electrolyte with Layered Oxide Cathodes

Abstract Solid‐state batteries promise higher energy densities and better safety than Li‐ion batteries with liquid electrolytes. However, the interface between solid electrolyte and cathode is unstable at the elevated temperatures that are needed while sintering to achieve good bonding between ceramic components. Here, the hypothesis is that, the gas environment, especially the presence of CO 2, is critical in determining the stability of the solid electrolyte–cathode interface. The effect of gas species on the interface is systematically probed, by a using Li 7 La 3 Zr 2 O 12 (LLZO) solid electrolyte with a thin film LiNi 0.6 Mn 0.2 Co 0.2 O 2 cathode as a model system to enable interface sensitivity. Detrimental phases formed at the interface and their onset conditions are identified by X‐ray absorption spectroscopy, X‐ray diffraction, and Gibbs free energy analysis. As a result, removing CO 2 and minimizing H 2 O(g) during sintering is necessary to obtain good contact at the LLZO|cathode interface without forming secondary phases. Sintering in O 2 is ideal, yielding excellent chemical stability and low interfacial resistance. Secondary phases also do not form in N 2, but oxygen loss occurs at elevated temperatures. The interfacial resistance obtained upon sintering in pure O 2 is comparable to the lowest values at LLZO interfaces with protective coatings, but here without the need for interface coatings.

25 ENERGY STORAGE↗
DOE OSTI2021

A review on molten sulfate salts induced hot corrosion

Hot corrosion has been extensively observed in various high temperature applications, which might cause large economic losses. Here, to deepen the insight and understanding of hot corrosion, we provide a detailed discussion on hot corrosion induced by molten sulfate salt, in which Na 2 SO 4 is the main chemical reactant. The hot corrosion is triggered and sustained by the negative solubility gradient of protective oxide from the oxide/salt interface to salt/gas interface. In this work, we reviewed several key factors, including temperature, gas composition, molten salt composition, alloy element and external stress, influencing the hot corrosion of alloy beneath the molten salt. The application of anti-corrosion coating seems to be the most effective and commercial mothed to mitigate hot corrosion. Therefore, the progress of the development of effective coatings, e.g., Ni-Cr coatings, aluminide coatings, silicide coatings and MCrAlY(X) coatings, has also been summarized.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Temperature dependent electrical characterisation of Pt/HfO{sub 2}/n-GaN metal-insulator-semiconductor (MIS) Schottky diodes

This paper reports an improvement in Pt/n-GaN metal-semiconductor (MS) Schottky diode characteristics by the introduction of a layer of HfO{sub 2} (5 nm) between the metal and semiconductor interface. The resulting Pt/HfO{sub 2}/n-GaN metal-insulator-semiconductor (MIS) Schottky diode showed an increase in rectification ratio from 35.9 to 98.9(@ 2V), increase in barrier height (0.52 eV to 0.63eV) and a reduction in ideality factor (2.1 to 1.3) as compared to the MS Schottky. Epitaxial n-type GaN films of thickness 300nm were grown using plasma assisted molecular beam epitaxy (PAMBE). The crystalline and optical qualities of the films were confirmed using high resolution X-ray diffraction and photoluminescence measurements. Metal-semiconductor (Pt/n-GaN) and metal-insulator-semiconductor (Pt/HfO{sub 2}/n-GaN) Schottky diodes were fabricated. To gain further understanding of the Pt/HfO{sub 2}/GaN interface, I-V characterisation was carried out on the MIS Schottky diode over a temperature range of 150 K to 370 K. The barrier height was found to increase (0.3 eV to 0.79 eV) and the ideality factor decreased (3.6 to 1.2) with increase in temperature from 150 K to 370 K. This temperature dependence was attributed to the inhomogeneous nature of the contact and the explanation was validated by fitting the experimental data into a Gaussian distribution of barrier heights.

36 MATERIALS SCIENCE↗