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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Surface Inhomogeneity of Graphene Oxide Influences Dissociation of Aβ 16–21 Peptide Assembly

Abnormal peptide assembly and aggregation is associated with an array of neurodegenerative diseases including Alzheimer’s disease (AD). A detailed understanding of how nanostructured materials such as oxidized graphene perturb the peptide assembly and subsequently induce fibril dissociation may open new directions for the development of potential AD treatments. Here, we investigate the impact of surface inhomogeneity of graphene oxide (GO) on the assembly of amyloid-beta Aβ16–21 peptides on GO surfaces with different degrees of oxidation using molecular dynamics simulations. Interestingly, nonuniform GO nanosheets (in terms of oxidation sites) have a much stronger perturbation effect on the structure of Aβ16–21 assembly. The Aβ peptides exhibit a remarkable tendency in binding to the scattered interfaces between unoxidized and oxidized regions, which induces the dissociation of Aβ amyloid fibril. These findings should deepen our understanding of surface-induced peptide dissociation and stimulate discovery of alternative AD treatments.

He, Zhi↗
DOE OSTI2019

SnO 2 -Catalyzed Oxidation in High-Efficiency CdTe Solar Cells

Interfaces at the front of superstrate CdTe-based solar cells are critical to carrier transport, recombination, and device performance, yet determination of the chemical structure of these nanoscale regions has remained elusive. This is partly due to changes that occur at the front interfaces during high temperature growth and substantive changes occurring during postdeposition processing. In addition, these buried interfaces are extremely difficult to access in a way that preserves chemical information. In this work, we use a recently developed thermomechanical cleaving technique paired with X-ray photoelectron spectroscopy to probe oxidation states at the SnO 2 interface of CdTe solar cells. We show that the tin oxide front electrode promotes the formation of nanometer-scale oxides of tellurium and sulfur. Most oxidation occurs during CdCl 2 /O 2 activation. Surprisingly, we show that relatively low-temperature anneals (180-260 degrees C) used to diffuse and activate copper acceptors in a doping/back contact process also cause significant changes in oxidation at the front of the cell, providing a heretofore missing aspect of how back contact processes can modify device transport, recombination, and performance. Device performance is shown to correlate with the extent of tellurium and sulfur oxidation within this nanometer-scale region. Mechanisms responsible for these beneficial effects are proposed.

14 SOLAR ENERGY↗
DOE OSTI2020

Enhanced Surface Interactions Enable Fast Li + Conduction in Oxide/Polymer Composite Electrolyte

Abstract Li + ‐conducting oxides are considered better ceramic fillers than Li + ‐insulating oxides for improving Li + conductivity in composite polymer electrolytes owing to their ability to conduct Li + through the ceramic oxide as well as across the oxide/polymer interface. Here we use two Li + ‐insulating oxides (fluorite Gd 0.1 Ce 0.9 O 1.95 and perovskite La 0.8 Sr 0.2 Ga 0.8 Mg 0.2 O 2.55 ) with a high concentration of oxygen vacancies to demonstrate two oxide/poly(ethylene oxide) (PEO)‐based polymer composite electrolytes, each with a Li + conductivity above 10 −4 S cm −1 at 30 °C. Li solid‐state NMR results show an increase in Li + ions (>10 %) occupying the more mobile A2 environment in the composite electrolytes. This increase in A2‐site occupancy originates from the strong interaction between the O 2− of Li‐salt anion and the surface oxygen vacancies of each oxide and contributes to the more facile Li + transport. All‐solid‐state Li‐metal cells with these composite electrolytes demonstrate a small interfacial resistance with good cycling performance at 35 °C.

Wu, Nan↗
DOE OSTI2015

Electrical control of Co/Ni magnetism adjacent to gate oxides with low oxygen ion mobility

We investigate the electrical manipulation of Co/Ni magnetization through a combination of ionic liquid and oxide gating, where HfO{sub 2} with a low O{sup 2−} ion mobility is employed. A limited oxidation-reduction process at the metal/HfO{sub 2} interface can be induced by large electric field, which can greatly affect the saturated magnetization and Curie temperature of Co/Ni bilayer. Besides the oxidation/reduction process, first-principles calculations show that the variation of d electrons is also responsible for the magnetization variation. Our work discloses the role of gate oxides with a relatively low O{sup 2−} ion mobility in electrical control of magnetism, and might pave the way for the magneto-ionic memory with low power consumption and high endurance performance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Dependence of Andreev reflection and Schottky barriers on GaMnAs/Nb interface treatment

We studied the interfacial contact between GaMnAs and superconducting Nb micro-structures both with and without removing the native GaMnAs surface oxide. Our results show that a strong Schottky barrier forms at the interface when the oxide layer is left between Nb and GaMnAs. This barrier can be confused for Andreev Reflection and erroneously used to extract spin polarization. A simple acid etch is shown to remove the oxide film, thus decreasing the interface resistance, removing the Schottky barrier, and causing a clear Andreev reflection effect. One key recommendation for point contact Andreev reflection studies is to push the tip hard enough into contact and verify that the total resistance is not too high.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Oxygen Atom Transfer Reactions of Colloidal Metal Oxide Nanoparticles

Redox transformations at metal oxide (MO x )/solution interfaces are broadly important, and oxygen atom transfer (OAT) is one of the simplest and most fundamental examples of such reactivity. OAT is a two-electron transfer process, well-known in gas/solid reactions and catalysis. However, OAT is rarely directly observed at oxide/water interfaces, whose redox reactions are typically proposed to occur in one-electron steps. Reported here are stoichiometric OAT reactions of organic molecules with aqueous colloidal titanium dioxide and iridium oxide nanoparticles (TiO 2 and IrO x NPs). Me 2 SO (DMSO) oxidizes reduced TiO 2 NPs with the formation of Me 2 S, and IrO x NPs transfer O atoms to a water-soluble phosphine and a thioether. The reaction stoichiometries were established and the chemical mechanisms were probed using typical solution spectroscopic techniques, exploiting the high surface areas and transparency of the colloids. Furthermore, these OAT reactions, including a catalytic example, utilize the ability of the individual NPs to accumulate many electrons and/or holes. Observing OAT reactions of two different materials, in opposite directions, is a step toward harnessing oxide nanoparticles for valuable multi-electron and multi-hole transformations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

MoS{sub 2} on an amorphous HfO{sub 2} surface: An ab initio investigation

The energetic stability, electronic and structural properties of MoS{sub 2} adsorbed on an amorphous a-HfO{sub 2} surface (MoS{sub 2}/HfO{sub 2}) are examined through ab initio theoretical investigations. Our total energy results indicate that the formation of MoS{sub 2}/HfO{sub 2} is an exothermic process with an adsorption energy of 34 meV/Å{sup 2}, which means that it is more stable than similar systems like graphene/HfO{sub 2} and MoS{sub 2}/SiO{sub 2}. There are no chemical bonds at the MoS{sub 2}-HfO{sub 2} interface. Upon formation of MoS{sub 2}/HfO{sub 2}, the electronic charge distribution is mostly localized at the interface region with no net charge transfer between the adsorbed MoS{sub 2} sheet and –HfO{sub 2} surface. However, the MoS{sub 2} sheet becomes n-type doped when there are oxygen vacancies in the HfO{sub 2} surface. Further investigation of the electronic distribution reveals that there are no electron- and hole-rich regions (electron-hole puddles) on the MoS{sub 2} sheet, which makes this system promising for use in high-speed nanoelectronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Acoustic emission analysis on tensile failure of steam-side oxide scales formed on T22 alloy superheater tubes

Failure of steam-side oxide scales on boiler tubes can seriously influence the safety of coal-fired power plants. Uniaxial tensile tests employing acoustic emission (AE) monitoring were performed, in this work, to investigate the failure behavior of steam-side oxide scales on T22 alloy boiler superheater tubes. The characteristic frequency spectra of the captured AE signals were obtained by performing fast Fourier transform. Three distinct peak frequency bands, 100-170, 175-250, and 280-390 kHz, encountered in different testing stages were identified in the frequency spectra, which were confirmed to, respectively, correspond to substrate plastic deformation, oxide vertical cracking, and oxide spalling with the aid of scanning electronic microscopy observations, and can thus be used for distinguishing different oxide failure mechanisms. Finally, the critical cracking strain of the oxide scale and the interfacial shear strength of the oxide/substrate interface were estimated, which are the critical parameters urgently desired for modeling the failure behavior of steam-side oxide scales on boiler tubes of coal-fired power plants.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Influences of superalloy composition and Pt content on the oxidation behavior of gamma–gamma prime NiPtAl bond coatings

Here, the effects of superalloy composition and Pt content on the high-temperature oxidation behavior of γ–γ’ NiPtAl diffusion coatings were investigated over the temperature range of 1050–1150 °C. Simple NiPtAl diffusion coatings with 7 or 12 µm electroplated Pt thickness were evaluated in 1-h cycles in dry O 2 for up to 2500 cycles on four superalloys: directionally solidified (DS) alloy 142, 1st generation single-crystal (SX) alloy 1483, and 2nd generation SX alloys X4 and N5. Coatings on high-Hf alloy 142 experienced severe internal oxidation of Hf at all temperatures. Coatings on ~5 at.% Ti alloy 1483 were protective at 1050 °C, but exhibited severe scale spallation at 1100 °C, with extensive formation of Ti- and Ni-rich oxides at the gas interface. Coatings with 7-µm Pt on X 4 were extremely protective at 1100 °C, but failed rapidly at 1150 °C, which also was associated with the formation of Ti-rich oxides. Increasing the coating Pt content on X 4 improved the 1150 °C oxidation behavior. Coatings on Ti-free N 5 showed the best performance at 1150 °C, especially with 12-µm Pt. Although γ–γ’ coatings can exhibit outstanding cyclic oxidation resistance with minimal Al depletion, they appear to be sensitive to substrate composition, as well as eventual Pt depletion due to interdiffusion.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Spontaneous phase separation during self-assembly in bi-dispersed spherical iron oxide nanoparticle monolayers

Recent developments in the synthesis of iron oxide nanoparticles have resulted in the ability to fabricate roughly spherical particles with extremely high size uniformity (low polydispersity). These particles can form self-assembled monolayer films at an air-water interface. When the polydispersity of the particles is low, these monolayers can be well-ordered over a length scale dozens of times the particle size. The van der Waals force between the particles is what drives this self-assembly. Through the use of Grazing Incidence X-Ray Diffraction we demonstrate that, when these films are formed at the liquid surface from bi-dispersed solutions containing 10 and 20 nm spherical particles suspended in chloroform, the particles phase separate into well-ordered patches during the self-assembly process. Furthermore, the domain sizes of these phase separated regions are at most 2–3 times smaller than that of a film comprising only mono-dispersed particles and their degree of disorder is comparable. This is shown for multiple solutions with differing ratios of 10 and 20 nm particles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Nitrogen plasma passivated niobium resonators for superconducting quantum circuits

Microwave loss in niobium metallic structures used for superconducting quantum circuits is limited by a native surface oxide layer formed over a timescale of minutes when exposed to an ambient environment. Here, in this work, we show that nitrogen plasma treatment forms a niobium nitride layer at the metal–air interface, which prevents such oxidation. X-ray photoelectron spectroscopy confirms the doping of nitrogen more than 5 nm into the surface and a suppressed oxygen presence. This passivation remains stable after aging for 15 days in an ambient environment. Cryogenic microwave characterization shows an average filling-factor-adjusted two-level-system loss tangent Fδ TLS of (2.9±0.5)·10 –7 for resonators with a 3 μm center strip and (1.0±0.3)·10 –7 for a 20 μm center strip, exceeding the performance of unpassivated samples by a factor of four.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Induced Ferromagnetism at BiFeO 3 /YBa 2 Cu 3 O 7 Interfaces

We report that transition metal oxides (TMOs) exhibit many emergent phenomena ranging from high-temperature superconductivity and giant magnetoresistance to magnetism and ferroelectricity. In addition, when TMOs are interfaced with each other, new functionalities can arise, which are absent in individual components. Here, we report results from first-principles calculations on the magnetism at the BiFeO 3 /YBa 2 Cu 3 O 7 interfaces. By comparing the total energy for various magnetic spin configurations inside BiFeO 3 , we are able to show that a metallic ferromagnetism is induced near the interface. We further develop an interface exchange-coupling model and place the extracted exchange coupling interaction strengths, from the first-principles calculations, into a resultant generic phase diagram. Our conclusion of interfacial ferromagnetism is confirmed by the presence of a hysteresis loop in field-dependent magnetization data. Lastly, the emergence of interfacial ferromagnetism should have implications to electronic and transport properties.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Time-Resolved Spectroscopy of Insulator-Metal Transitions: Exploring Low-Energy Dynamics in Strongly Correlated Systems. Final Report

Transition metal oxides (TMOs) have attracted much attention in recent years. The strong coupling between charge, spin, and orbital degrees of freedom creates novel functional properties. The research at the interplay between ferromagnetism, ferroelectricity and conductivity provides a promising way to the development of future spintronic devices. The interface characterization of multifunctional oxide heterostructures is crucial to understand deeply the magnetic response, spin injection and spin transport. In year one, we characterized optically the magnetic property with the method of magnetization-induced second-harmonic generation (MSHG), which is a sensitive technique to selectively probe the interface where the spatial inversion symmetry is broken. The interface of n-type BaTiO 3 (BTO)/La 0.67 Sr 0.33 MnO 3 (LSMO) forms a Schottky barrier and displays a good diode effect. By applying an external electric field across the sample, we observe the magnetoelectric (ME) coupling effect to modulate the interface magnetization. The voltage dependent magnetic contrast sharply vanishes at positive voltage (applied to LSMO contact) and reveals a ferromagnetic (FM)-to- antiferromagnetic (AFM) transition occurring at the interface, while the magneto-optic Kerr effect (MOKE) indicates that the bulk property is not affected. The strain mediated mechanism and ferroelectric (FE) polarization induced charge medicated mechanism are both discussed, but they do not play an important role in the observed magnetization transition. A new mechanism is proposed - the injected minority spins through strong Hund's interaction with the local magnetic moments at positive voltage weaken the double-exchange interaction of nearby Mn e g electrons, thereby reducing the ferromagnetic (FM) ordering. The dominant superexchange interaction of localized t 2g electrons finally leads to the AFM configuration. By reducing the electron carrier concentration of BTO, a positive voltage shift of the transition is observed. The oxygen richer sample with lower carrier concentration requires a higher voltage to increase the hole doping level of LSMO to induce the interfacial AFM phase. By inserting a thin (1nm) La 0.5 Ca 0.5 MnO 3 layer between BTO and LSMO, the interface magnetic response from LSMO is enhanced. In year two, a non-multiferroic heterostructure SrTiO 3 (STO)/ La 0.5 Ca 0.5 MnO 3 (LCMO)/La 0.67 Sr 0.33 MnO 3 (LSMO) was studied. In this system, the interface FM-AFM transition is observed at negative voltage. The STO layer may act as a hole-donating layer, which induces the hole transfer to LSMO making it overdoped, while the LCMO interlayer at the 0.5 hole doping level displays complicated CE type AFM phase. Thus the AFM phase is dominant at the interface and electron accumulation is required to induce the FM phase by applying a negative voltage. For oxygen rich sample, the magnetic MSHG loop reappears at high positive voltage (around +2.5 V). At high doping level (x > 0.5), LSMO exhibits A-type AFM order, consisting of AFM superexchange coupling between adjacent layers and intralayer FM double-exchange coupling. The less tensile strain of STO and LSMO due to a smaller lattice mismatch as compared to BTO would result in a weaker interlayer coupling . Thus, interfacial A-type AFM order can occur in STO/LCMO/LSMO heterostructure at high hole doping concentration. The study of ME coupling of multifunctional oxide heterostructures is definitely important to the development and performance of future spintronic devices. The results presented here regarding the interfacial magnetic transition controlled by an external electric field offer some new perspective to study the spin transport of magnetic tunnel junctions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Compositionally complex perovskite oxides: Discovering a new class of solid electrolytes with interface-enabled conductivity improvements

Compositionally complex ceramics (CCCs), including high-entropy ceramics, offer a vast, unexplored compositional space for materials discovery. Herein, we propose and demonstrate strategies for tailoring CCCs via a combination of non-equimolar compositional designs and control of grain boundaries (GBs) and microstructures. Using oxide solid electrolytes for all-solid-state batteries as an example, we have discovered a class of compositionally complex perovskite oxides (CCPOs) with improved lithium ionic conductivities beyond the limit of conventional doping. For example, we demonstrate that the ionic conductivity can be improved by >60% in (Li 0.375 Sr 0.4375 )(Ta 0.375 Nb 0.375 Zr 0.125 Hf 0.125 )O 3-δ compared with the (Li 0.375 Sr 0.4375 )(Ta 0.75 Zr 0.25 )O 3-δ (LSTZ) baseline. Furthermore, the ionic conductivity can be improved by another >70% via quenching, achieving >270% of the LSTZ. Notably, we demonstrate GB-enabled conductivity improvements via both promoting grain growth and altering GB structures through compositional designs and processing. In a broader perspective, this work suggests new routes for discovering and tailoring CCCs for energy storage and many other applications.

36 MATERIALS SCIENCE↗
DOE OSTI2011

X-ray reflectance studies of interface in ion beam sputtered CoFeB/MgO bilayers

This letter reports specular and diffuse x-ray reflectance studies of the interface in the ion beam sputtered CoFeB({approx}5-8 nm)/MgO({approx}2-5 nm) bilayers. The study reveals the specific roles of oxygen ion energy, substrate temperature, and reactive gas ambient on controlling the interface width in the bilayers. Depending on oxidation-method employed for MgO growth the interface width varies between 0.51 and 0.20 nm. Energy of assist ions ({<=}50 eV) plays a key role compared to the growth temperature in determining the sharpness of the interface. The bottom grown CoFeB exhibited significant increase in coercivity (H{sub C}), which also depends on MgO-growth process.

36 MATERIALS SCIENCE↗