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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
NASA NTRS2008

Moisture-Induced Delayed Spallation and Interfacial Hydrogen Embrittlement of Alumina Scales

While interfacial sulfur is the primary chemical factor affecting Al2O3 scale adhesion, moisture-induced delayed spallation appears as a secondary, but impressive, mechanistic detail. Similarities with bulk metallic phenomena suggest that hydrogen embrittlement from ambient humidity, resulting from the reaction Al(sub alloy)+3(H2O)(sub air) = Al(OH)(-) (sub 3) +3H(+) may be the operative mechanism. This proposal was tested on pre-oxidized Rene N5 by standard cathodic hydrogen charging in 1N H2SO4, as monitored by weight change, induced current, and microstructure. Cathodic polarization at -2.0 V abruptly stripped mature Al2O3 scales at the oxide-metal interface. Anodic polarization at +2.0 V, however, produced alloy dissolution. Finally, with no applied voltage, the acid electrolyte produced neither scale spallation nor alloy dissolution. Thus, hydrogen charging was detrimental to alumina scale adhesion. Moisture-induced interfacial hydrogen embrittlement is concluded to be the cause of delayed scale spallation and desktop thermal barrier coating failures.

Smialek, James L.↗
NASA NTRS1993

On-Chip p-MOSFET Dosimetry

On-chip p-FETs were developed to monitor the radiation dose of n-well CMOS ICs by monitoring the threshold voltage shifts due to radiation induced oxide and interface charge.

FET's↗
DOE OSTI2012

In situ Characterization of Pt Catalysts Supported on Ceria Modified TiO(2) for the WGS reaction: Influence of Ceria Loading

This work analyzes the influence of cerium content (6-15 wt%) on a TiO{sub 2} support over the structure and water gas shift (WGS) activity of Pt catalysts. The structural properties of these Pt/Ce-TiO{sub 2} catalysts were characterized by XRD, TEM and XANES. Physicochemical characterization of the catalysts showed differences in the structure and dispersion of Ce entities on the support with Ce loading. For the samples with low ceria content (6 wt%), cerium is deposited on the support in the form of CeO{sub x} clusters in a highly dispersed state in close interaction with the Ti atoms. The formation of CeO{sub x} clusters at low Ce-loading on the support facilitates the dispersion of small particles of Pt and improves the reducibility of ceria component at low temperatures. The changes in platinum dispersion and support reducibility with Ce-loading on the TiO{sub 2} support lead to significant differences in the WGS activity. Pt supported on the sample with lower Ce content (6 wt%) shows better activity than those corresponding to catalysts with higher Ce content (15 wt%). Activity measurements coupled with catalysts characterization suggest that the improvement in the reducibility of the support with lower Ce content was associated with the presence of CeO{sub x} clusters of high reducibility that improve the chemical activity of the oxide-metal interfaces at which the WGS reaction takes place.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Oxide layers and methods of making the same

The present application discloses devices that include a perovskite layer, a first layer that includes an oxide, and an interface layer, where the interface layer is positioned between the first layer and the perovskite layer, the interface layer is in physical contact with both the first layer and the perovskite layer, and the interface layer consists essentially of the oxide.

Schulz, Philip↗
DOE OSTI2013

Nanostructured ceria based thin films ({<=}1 {mu}m) As cathode/electrolyte interfaces

Gadolinium doped cerium oxide (CGO: Ce{sub 0,9}Gd{sub 0,1}O{sub 2-{delta}}) films were used as an oxygen anion diffusion layer at the cathode/electrolyte interface of Solid Oxide Fuel Cells (SOFCs), between LSCF (lanthanum strontium cobalt ferrite) and YSZ (yttria-stabilized zirconia). Thin ({approx}100 nm) and thick ({approx}700 nm) mesoporous CGO layers were synthesized through a sol-gel process including organic template coupled with the dip-coating method. Structural and microstructural characterizations were performed, highlighting a well-bonded crystalline CGO nanoparticles network which delineates a 3-D inter-connected mesoporous network. Their electrical behaviors were investigated by impedance spectroscopy analysis of YSZ/mesoporous-CGO/LSCF half-cell. Anode-supported SOFCs, operating at 800 Degree-Sign C, with either dense or mesoporous CGO dip-coated interlayers were also fabricated [NiO-YSZ anode/YSZ/CGO/LSCF cathode]. The impact of the mesoporous CGO interlayers on SOFCs performances was investigated by galvanostatic analysis and compared to the behavior of a dense CGO interlayer. The polarization curves revealed an enhancement in the electrical performance of the cell, which is assigned to a decrease of the polarization resistance at the cathode/electrolyte interface. The integrity and connectivity of the CGO nanoparticles bonded network facilitates O{sup 2-} transport across the interface. - Graphical abstract: Thin and thick CGO films have been prepared through a sol-gel process and their potential application as SOFC cathode/electrolyte interlayer in SOFC has been investigated. Highlights: Black-Right-Pointing-Pointer Mesoporous ceria based thin films exhibit interesting performances for Solid Oxide Fuel Cell. Black-Right-Pointing-Pointer Mesoporous films were synthesized through the sol-gel process combined with the dip-coating. Black-Right-Pointing-Pointer Integrity and connectivity of the nanoparticles facilitates O{sup 2-} transport across the interface.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Impact of Varying the Photoanode/Catalyst Interfacial Composition on Solar Water Oxidation: The Case of BiVO 4 (010)/FeOOH Photoanodes

Photoanodes used in a water-splitting photoelectrochemical cell are almost always paired with an oxygen evolution catalyst (OEC) to efficiently utilize photon-generated holes for water oxidation because the surfaces of photoanodes are typically not catalytic for the water oxidation reaction. Suppressing electron–hole recombination at the photoanode/OEC interface is critical for the OEC to maximally utilize the holes reaching the interface for water oxidation. Here, in order to explicitly demonstrate and investigate how the detailed features of the photoanode/OEC interface affect interfacial charge transfer and photocurrent generation for water oxidation, we prepared two BiVO 4 (010)/FeOOH photoanodes with different Bi:V ratios at the outermost layer of the BiVO 4 interface (close to stoichiometric vs Bi-rich) while keeping all other factors in the bulk BiVO 4 and FeOOH layers identical. The resulting two photoanodes show striking differences in the photocurrent onset potential and photocurrent density for water oxidation. The ambient pressure X-ray photoelectron spectroscopy results show that these two BiVO 4 (010)/FeOOH photoanodes show drastically different Fe 2+ :Fe 3+ ratios in FeOOH both in the dark and under illumination with water, demonstrating the immense impact of the interfacial composition and structure on interfacial charge transfer. Using computational studies, we reveal the effect of the surface Bi:V ratio on the hydration of the BiVO 4 surface and bonding with the FeOOH layer, which in turn affect the band alignments between BiVO 4 and FeOOH. These results explain the atomic origin of the experimentally observed differences in electron and hole transfer and solar water oxidation performance of the two photoanodes having different interfacial compositions.

14 SOLAR ENERGY↗
DOE OSTI2015

Thermal stability of Ni/Ti/Al ohmic contacts to p-type 4H-SiC

Low resistivity Ni/Ti/Al ohmic contacts on p-type 4H-SiC epilayer were developed, and their thermal stabilities were also experimentally investigated through high temperature storage at 600 °C for 100 h. The contact resistance of the Al/Ti/Ni/SiC contacts degraded in different degrees, and the contact morphology deteriorated with the increases of the average surface roughness and interface voids. X-ray spectra showed that Ni{sub 2}Si and Ti{sub 3}SiC{sub 2}, which were formed during ohmic contact annealing and contributed to low contact resistivity, were stable under high temperature storage. The existence of the TiAl{sub 3} and NiAl{sub 3} intermetallic phases was helpful to prevent Al agglomeration on the interface and make the contacts thermally stable. Auger electron spectroscopy indicated that the incorporation of oxygen at the surface and interface led to the oxidation of Al or Ti resulting in increased contact resistance. Also, the formation of these oxides roughened the surface and interface. The temperature-dependence of the specific contact resistance indicated that a thermionic field emission mechanism dominates the current transport for contacts before and after the thermal treatment. It suggests that the Ni/Ti/Al composite ohmic contacts are promising for SiC devices to be used in high temperature applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Structural properties of Ge on SrTiO{sub 3} (001) surface and Ge/SrTiO{sub 3} interface

Germanium−perovskite oxide heterostructures have a strong potential for next-generation low-voltage and low-leakage metal-oxide semiconductor field-effect transistors. We investigated the atomic structure and electronic properties of Ge on perfect and defective (001) SrTiO{sub 3} by first-principle calculations. The specific adsorption sites at the initial growth stage and the atomic structure of Ge on the SrTiO{sub 3} (001) substrate have been systematically investigated. The surface grand potential was calculated and compared as a function of the relative chemical potential. The complete surface phase diagram was presented. The energetically favorable interfaces were pointed out among the atomic arrangements of the Ge/SrTiO{sub 3} (001) interfaces. The atomic structure and electronic properties of the intrinsic point defects were calculated and analyzed for the Ge/SrTiO{sub 3} (001) interfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Correlation between Epitaxial Strain and Magnetic Properties in La0.7Sr0.3CoO3/La0.7Sr0.3MnO3 bilayers

Magnetic properties arising at interfaces of perovskite oxides such as La0.7Sr0.3MnO3 (LSMO) and La0.7Sr0.3CoO3 (LSCO) depend sensitively on the fine details of their structural properties. In this work, we use high-resolution transmission electron microscopy and spectroscopy to examine the structural and electronic phenomena at the interfaces in two LSMO/LSCO bilayers with reversed growth order. Two different strain mechanisms are at work in these films; compressive or tensile epitaxial strain, and distortion of the octahedral tilt pattern to maintain the network of corner-sharing octahedra. While the epitaxial strain is constant, regardless of growth order, the modification of the octahedral tilt pattern depends on whether the film is grown directly on the substrate, or as the second sublayer. As a consequence, exchange spring behavior is observed only when the LSCO sublayer is grown first. The different mechanisms of strain accommodation within the oxygen octahedra network in each material prove to be of critical importance in determining the interfacial structure and thus magnetic and electronic properties of the bilayers.

perovskites, interfaces, microscopy, magnetism↗
DOE OSTI2013

An in situ x-ray photoelectron spectroscopy study of the initial stages of rf magnetron sputter deposition of indium tin oxide on p-type Si substrate

The interface between indium tin oxide and p-type silicon is studied by in situ X-ray photoelectron spectroscopy (XPS). This is done by performing XPS without breaking vacuum after deposition of ultrathin layers in sequences. Elemental tin and indium are shown to be present at the interface, both after 2 and 10 s of deposition. In addition, the silicon oxide layer at the interface is shown to be composed of mainly silicon suboxides rather than silicon dioxide.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A Multifunctional Isostructural Bilayer Oxygen Evolution Electrode for Durable Intermediate-Temperature Electrochemical Water Splitting

The overarching goal of the proposed research is to address SOEC’s degradation problem by advancing a new isostructural highly electrocatalytically active bilayer oxygen evolution reaction (OER) electrode, consisting of a LSCF (La 1-x Sr x Co 1-y Fe y O 3-δ ) core and a SCT (SrCo 0.9 Ta 0.1 O 3-δ ) shell, to achieve high and sustainable rate of oxygen evolution matching operating current densities without encountering delamination. To realize this goal, the project has adopted a combined experimental and theoretical approach to conduct research in the following six areas closely associated with SOPO tasks: 1) Development of electrocatalytically active bilayer oxygen electrodes (SOPO task-1) 2) Development of new symmetric three electrode cell (STEC) methodology to extract electrokinetic data of oxygen electrodes (SOPO task-2) 3) Quantification of electrokinetics of bilayer oxygen electrodes and correlation with degradation and delamination (SOPO task-2) 4) Performances of bilayer oxygen electrodes under fuel cells and electrolyzers modes (SOPO task-3) 5) Microscale modeling of oxygen electrode/electrolyte interface in solid oxide electrolysis cells (SOPO task-4) 6) Prediction of crack growth rate at oxygen electrode/electrolyte interface in solid oxide electrolysis cells (SOPO task-4)

08 HYDROGEN↗
DOE OSTI2023

Role of structural defects in mediating disordering processes at irradiated epitaxial Fe 3 O 4 / Cr 2 O 3 interfaces

Disordering processes in oxide materials are complicated by the presence of interfaces, which can serve as either point defect sinks or accumulation sites; the response depends on factors such as interfacial structure, chemistry, and termination. Here, we have characterized the disordering of epitaxial Fe 3 O 4 (111) / Cr 2 O 3 (0001) thin film heterostructures after 400 keV Ar 2+ radiation at room temperature. The density of misfit dislocations in both the Fe 3 O 4 overlayer and Cr 2 O 3 buffer layer is varied by changing the thickness of Cr 2 O 3 to be pseudomorphically strained to the Al 2 O 3 (0001) substrate (5 nm thick) or partially relaxed (20 nm thick), as confirmed by Bragg filtering analysis of scanning transmission electron microscopy images. In both cases, irradiation leads to damage accumulation on the Fe 3 O 4 side of the heterointerface, as shown by Rutherford backscattering spectrometry measurements in the channeling geometry. However, the interface with more misfit dislocations exhibits disordering at a faster rate than the less-defective interface. Likewise, layer-resolved electron energy loss spectroscopy reveals interfacial reduction of Fe after irradiation at the more defective interface. Intermixing of Cr across the interface is observed by atom probe tomography, which is likely facilitated by the generation of Cr interstitials in Cr 2 O 3 under irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Polarization-coupled tunable resistive behavior in oxide ferroelectric heterostructures

This research focuses on investigation of the physical mechanism of the electrically and mechanically tunable resistive behavior in oxide ferroelectric heterostructures with engineered interfaces realized via a strong coupling of ferroelectric polarization with tunneling electroresistance and metal-insulator (M-I) transitions. This report describes observation of electrically conductive domain walls in semiconducting ferroelectrics, voltage-free control of resistive switching and demonstration of a new mechanism of electrical control of 2D electron gas (2DEG) at oxide interfaces. The research goals are achieved by creating strong synergy between cutting-edge fabrication of epitaxial single-crystalline complex oxides, nanoscale electrical characterization by scanning probe microscopy and theoretical modeling of the observed phenomena. The concept of the ferroelectric devices with electrically and mechanically tunable nonvolatile resistance represents a new paradigm shift in realization of the next-generation of non-volatile memory devices and low-power logic switches.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Electrical properties and interfacial issues of high-k/Si MIS capacitors characterized by the thickness of Al{sub 2}O{sub 3} interlayer

A thin Al{sub 2}O{sub 3} interlayer deposited between La{sub 2}O{sub 3} layer and Si substrate was used to scavenge the interfacial layer (IL) by blocking the out-diffusion of substrate Si. Some advantages and disadvantages of this method were discussed in detail. Evident IL reduction corroborated by the transmission electron microscopy results suggested the feasibility of this method in IL scavenging. Significant improvements in oxygen vacancy and leakage current characteristics were achieved as the thickness of Al{sub 2}O{sub 3} interlayer increase. Meanwhile, some disadvantages such as the degradations in interface trap and oxide trapped charge characteristics were also observed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Carbon-Mediated Oxygen Vacancy Creation at Hematite Interfaces

Nanoscale iron oxides (e.g., hematite (a-Fe 2 O 3 )) have unique properties, such as enhanced chemical reactivity and high surface area, when compared with their bulk counterparts. These nanoscale surfaces can be more reactive due to the presence of defects (e.g., oxygen vacancies). In this work, we probed the surface chemistry of bulk and nanoscale hematite via X-ray photoelectron spectroscopy, electron microscopy, and powder X-ray diffraction. Oxygen exposure and vacuum annealing experiments were conducted to add or remove oxygen vacancies and remove adventitious carbon. In the absence of the oxygen annealing step, vacuum annealing resulted in partial reduction of Fe(III) to Fe(II) on all hematite surfaces. This was a size-dependent effect with the extent of reduction increasing as the crystallite size decreased. In addition, the atomic concentrations of carbon increased on all iron oxide surfaces after vacuum annealing. Oxygen annealing almost completely removed carbon from sample surfaces, and no Fe(III) reduction was observed in the absence of carbon. Under these conditions, the results reveal that carbonaceous material enhances oxygen vacancy formation, which then facilitates the reduction of Fe(III) on hematite surfaces. We provide new insights into the mechanisms of Fe(III) reduction on both bulk and nanoscale hematite surfaces and establish the major role of carbon in oxygen vacancy formation.

Zengotita, Frances E. [University of Notre Dame, I↗
NASA NTRS2018

Transition Metal Oxides as Cathodes in Li-O2 battery: A First Principles Investigation

Li-O2 batteries have traditionally used carbon based electrodes (graphite, buckypaper) as the cathode of choice due to its good electrical conductivity, stability against non-aqueous electrolytes like Dimethyl ether (DME) and ease of handling. But, the carbon cathode also leads to formation of carbonate by-products that increase overpotentials during charging leading to degradation of cathode and reduction of cyclability. In this work, we investigate some of the well-known oxides as cathodes with focus on the interface between the oxide surfaces and the discharge product: Li2O2, in the Li-O2 battery using first principles computations. Our results show that attention must be paid on choosing the appropriate surface of the oxides. We extend the analysis to suggest other possible oxide chemistries that should be investigated as cathodes in Li-O2 batteries.

Li-O2 battery↗
DOE OSTI2016

Electrical characterization of MEH-PPV based Schottky diodes

MEH-PPV Schottky diodes with and without Poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT-PSS) have been fabricated and characterized. The highlight of this work is that all the fabrication and characterization steps had been carried out in the ambient conditions and the device fabrication was done without any UV-Ozone surface treatment of ITO anodes. Current Density-Voltage characteristics shows that the addition of hole injection layer (HIL) enhances the charge injection into the polymer layer by reducing the energy barrier across the Indium Tin Oxide (ITO)-Organic interface. The rectification ratio increases to 2.21 from 0.76 at 5V for multilayer devices compared to single layer devices. Further we investigated the effect of an alkali metal fluoride (LiF) by inserting a thin layer in between the organic layer and Aluminum (Al) cathode. The results of these investigations will be discussed in detail.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Reduction in the interface-states density of metal-oxide-semiconductor field-effect transistors fabricated on high-index Si (114) surfaces by using an external magnetic field

After fabrication of Metal-Oxide-Semiconductor Field-Effect Transistor (MOSFET) devices on high-index silicon (114) surfaces, their threshold voltage (Vth) and interface-states density (Dit) characteristics were measured under the influence of an externally applied magnetic field of B = 6 μT at room temperature. The electron flow of the MOSFET's channel presents high anisotropy on Si (114), and this effect is enhanced by using an external magnetic field B, applied parallel to the Si (114) surface but perpendicular to the electron flow direction. This special configuration results in the channel electrons experiencing a Lorentzian force which pushes the electrons closer to the Si (114)-SiO{sub 2} interface and therefore to the special morphology of the Si (114) surface. Interestingly, Dit evaluation of n-type MOSFETs fabricated on Si (114) surfaces shows that the Si (114)-SiO{sub 2} interface is of high quality so that Dit as low as ∼10{sup 10 }cm{sup −2}·eV{sup −1} are obtained for MOSFETs with channels aligned at specific orientations. Additionally, using both a small positive Vds ≤ 100 mV and B = 6 μT, the former Dit is reduced by 35% in MOSFETs whose channels are aligned parallel to row-like nanostructures formed atop Si (114) surfaces (channels having a 90° rotation), whereas Dit is increased by 25% in MOSFETs whose channels are aligned perpendicular to these nanostructures (channels having a 0° rotation). From these results, the special morphology of a high-index Si (114) plane having nanochannels on its surface opens the possibility to reduce the electron-trapping characteristics of MOSFET devices having deep-submicron features and operating at very high frequencies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗