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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Metal oxide semiconductor (MOS) controlled devices and methods of making the same

Metal-Oxide-Semiconductor (MOS) controlled semiconductor devices and methods of making the devices are provided. The devices include a gate which controls current flow through channel regions positioned between source/emitter and drain regions of the device. The devices include a gate oxide layer having a variable thickness. The thickness of the gate oxide layer under the edge of the gate and over the source/emitter regions is different than the thickness over the channel regions of the device. The oxide layer thickness near the edge of the gate can be greater than the oxide layer thickness over the channel regions. The source/emitter regions can be implanted to provide enhanced oxide growth during gate oxide formation. The source/emitter region can include regions that are implanted to provide enhanced oxide growth during gate oxide formation and regions which do not provide enhanced oxide growth during gate oxide formation. The devices can be SiC devices such as SiC MOSFETs and SiC IGBTs.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Metal oxide semiconductor (MOS) controlled devices and methods of making the same

Metal-Oxide-Semiconductor (MOS) controlled semiconductor devices and methods of making the devices are provided. The devices include a gate which controls current flow through channel regions positioned between source/emitter and drain regions of the device. The devices include a gate oxide layer having a variable thickness. The thickness of the gate oxide layer under the edge of the gate and over the source/emitter regions is different than the thickness over the channel regions of the device. The oxide layer thickness near the edge of the gate can be greater than the oxide layer thickness over the channel regions. The source/emitter regions can be implanted to provide enhanced oxide growth during gate oxide formation. The source/emitter region can include regions that are implanted to provide enhanced oxide growth during gate oxide formation and regions which do not provide enhanced oxide growth during gate oxide formation. The devices can be SiC devices such as SiC MOSFETs and SiC IGBTs.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Metal oxide semiconductor (MOS) controlled devices and methods of making the same

Metal-Oxide-Semiconductor (MOS) controlled semiconductor devices and methods of making the devices are provided. The devices include a gate which controls current flow through channel regions positioned between source/emitter and drain regions of the device.The devices include a gate oxide layer having a variable thickness. The thickness of the gate oxide layer under the edge of the gate and over the source/emitter regions is different than the thickness over the channel regions of the device. The oxide layer thickness near the edge of the gate can be greater than the oxide layer thickness over the channel regions. The source/emitter regions can be implanted to provide enhanced oxide growth during gate oxide formation. The source/emitter region can include regions that are implanted to provide enhanced oxide growth during gate oxide formation and regions which do not provide enhanced oxide growth during gate oxide formation. The devices can be SiC devices such as SiC MOSFETs and SiC IGBTs.

Matocha, Kevin↗
DOE OSTI2024

High-throughput determination of Hubbard $U$ and Hund $J$ values for transition metal oxides via the linear response formalism

DFT+U provides a convenient, cost-effective correction for the self-interaction error (SIE) that arises when describing correlated electronic states using conventional approximate density functional theory (DFT). The success of a DFT+U(+J) calculation hinges on the accurate determination of its Hubbard U and Hund J parameters, and the linear response (LR) methodology has proven to be computationally effective and accurate for calculating these parameters. This study provides a high-throughput computational analysis of the U and J values for transition metal d-electron states in a representative set of over 1000 magnetic transition metal oxides (TMOs), providing a frame of reference for researchers who use DFT+U to study transition metal oxides. In order to perform this high-throughput study, an ATOMATE workflow is developed for calculating U and J values automatically on massively parallel supercomputing architectures. Here, to demonstrate an application of this workflow, the spin-canting magnetic structure and unit cell parameters of the multiferroic olivine LiNiPO4 are calculated using the computed Hubbard U and Hund J values for Ni-d and O-p states, and are compared with experiment. Both the Ni-d U and J corrections have a strong effect on the Ni-moment canting angle. Additionally, including a O-pU value results in a significantly improved agreement between the computed lattice parameters and experiment

36 MATERIALS SCIENCE↗
DOE OSTI2026

Precious metal oxygen-evolving anodes for electrolytic reduction of metal oxides in molten LiCl-Li 2 O electrolyte

Understanding the electrochemical stability of oxygen-evolving anode materials in molten salt electrolytes is essential to enable decarbonized electrolytic reduction of metal oxides (e.g., used nuclear oxide fuels). Here, this work investigated three precious metals (Ir, Ru, and Pt) as oxygen-evolving anodes in molten LiCl-Li 2 O (99.0-1.0 wt%) at 650 °C. For consistent measurements, this work employed a three-electrode cell comprised of a two-phase Li-Bi (65-35 at%) reference electrode and a NiO counter electrode. Anodic polarization behavior of each anode was investigated via cyclic voltammetry (CV) and chronoamperometry. The onset potential for oxygen evolution was observed at E > 2.9 V (vs. Li/Li + ) for the Ir and Ru anodes and anodic current density was as high as 1.0 A cm -2 at 3.23 V. The dimensional stability of each anode was evaluated from long-term electrolysis experiments (10.0-32.1 h) at 3.23 V. Rapid consumption of the Pt anode was observed after the application of 26,453 C cm -2 with a reduction in diameter of about 15.8% due to the formation of a non-protective Li 2 PtO 3 compound. The formation of this compound was also observed during CV measurements as additional anodic waves at potentials more negative than that of oxygen evolution. In contrast, both the Ir and Ru anodes exhibited excellent dimensional stability with a reduction in diameter or thickness of less than 1.5% even after applying greater charge density of ~41,100 C cm -2 , demonstrating superior stability during oxygen evolution in the LiCl-Li 2 O electrolyte.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Direct Observation of Alternating Octahedral and Prismatic Sodium Layers in O3-Type Transition Metal Oxides

The oxygen stacking of O3-type layered sodium transition metal oxides (O3-NaTMO 2 ) changes dynamically upon topotactic Na extraction and reinsertion. While the phase transition from octahedral to prismatic Na coordination that occurs at intermediate desodiation by transition metal slab gliding is well understood, the structural evolution at high desodiation, crucial to achieve high reversible capacity, remains mostly uncharted. In this work, the phase transitions of O3-type layered NaTMO 2 at high voltage are investigated by combining experimental and computational approaches. An OP2-type phase that consists of alternating octahedral and prismatic Na layers is directly observed by in situ X-ray diffraction and high-resolution scanning transmission electron microscopy. The origin of this peculiar phase is explained by atomic interactions involving Jahn–Teller active Fe 4+ and distortion tolerant Ti 4+ that stabilize the local Na environment. Finally, the path-dependent desodiation and resodiation pathways are also rationalized in this material through the different kinetics of the prismatic and octahedral layers, presenting a comprehensive picture about the structural stability of the layered materials upon Na intercalation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Impact of nano iron and manganese metal-oxides on contaminant interaction and micronutrient uptake in agricultural systems – a review

Rising population growth and increase global food demand has made meeting the demands of food production and security a major challenge world-wide. Nanotechnology has become a remediation strategy of interest as a sustainable tool in agricultural systems, where it aims to increase efficiency in techniques such as food monitoring, pathogen control, water treatment, and targeted delivery of agrochemicals. In addition to these platforms, nanoparticles, such as nano metal-oxides, have been engineered to act as contaminant scavengers and could be applied to wide range of systems. Numerous studies have looked at scavenging ability of nano metal-oxides (NMOs) but few have looked at them in agricultural and food systems. In this review, we specifically address previous research that has used nano Fe and Mn oxides in agricultural systems, particularly world-wide crop production of four major staple foods – rice, wheat, maize, and soybean. Nano Fe and Mn oxides are strong candidates for immobilization of agricultural contaminants in soils and, because they are naturally ubiquitous, have the potential to be a cost-effective and sustainable technology compared to other remediation strategies.

Gillispie, Elizabeth C.↗
DOE OSTI2020

Challenges and Strategies to Advance High-Energy Nickel-Rich Layered Lithium Transition Metal Oxide Cathodes for Harsh Operation

Nickel-rich layered lithium transition metal oxides (LiNi 1–x–y Co x Mn y O 2 and LiNi 1–x–y Co x Al y O 2 , x + y ≤ 0.2) are the most attractive cathode materials for the next generation lithium-ion batteries for automotive application. However, they suffer from structural/interfacial instability during repeated charge/discharge, resulting in severe performance degradation and serious safety concerns. Here we provide a comprehensive review about challenges and strategies to advance nickel-rich layered cathodes specifically for harsh (high-voltage, high-temperature, and fast charging) operations. Firstly, the degradation pathways of nickel-rich cathodes including surface/interface degradation, undesired cathode–electrolytes parasitic reactions, gas evolution, inter/intragranular cracking, and electrical/ionic isolation are discussed. Then, recent achievements in stabilizing the structure/interface of nickel-rich cathodes via surface coating, cation/anion doping, composition tailoring, morphology engineering, and electrolytes optimization are summarized. Moreover, challenges and strategies to improve the performance of Ni-rich cathodes at the electrode level are discussed. Outlook and perspectives to promote the practical application of nickel-rich layered cathodes toward automotive application are provided as well.

25 ENERGY STORAGE↗
DOE OSTI2020

Small Polarons and Surface Defects in Metal Oxide Photocatalysts Studied Using XUV Reflection–Absorption Spectroscopy

In photocatalytic transition metal oxides, the surface electronic structure and carrier kinetics are complicated by both charge trapping at defects and self-trapping by small polaron formation. These effects are specific to both the material and the type of defect or surface states involved. Here we review recent studies on ultrafast photoexcited charge carrier dynamics at the surfaces of alpha-Fe 2 O 3 (hematite) and NiO and at the interface of a alpha-Fe 2 O 3 /NiO heterojunction using extreme ultraviolet (XUV) reflection-absorption spectroscopy. We study dynamics of small polaron formation at hematite surfaces showing that the rate of carrier self-trapping is slower than in the bulk due to a greater lattice reorganization energy required for surface polaron formation. We also show that surface dynamics of hematite can be systematically tuned to control carrier transport properties through surface functionalization. To better understand the impact of defects on carrier events, we study charge carrier recombination of NiO. It is shown that O vacancies have no detrimental effect on carrier lifetime while grain boundaries cause fast recombination. Finally, we study a model heterojunction consisting of alpha-Fe 2 O 3 and NiO and find that interfacial charge transfer across these two materials occurs by a two-step mechanism where the interfacial electric field drives fast exciton dissociation followed by hole injection from alpha-Fe2O3 to NiO. Finally, these examples illustrate future opportunities to observe surface electron dynamics in photocatalytic materials with element and chemical state resolution using ultrafast XUV spectroscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Plasma Treating Mixed Metal Oxides to Improve Oxidative Performance via Defect Generation

The generation of structural defects in metal oxide catalysts offers a potential pathway to improve performance. Herein, we investigated the effect of thermal hydrogenation and low-temperature plasma treatments on mixed SiO 2 /TiO 2 materials. Hydrogenation at 500 °C resulted in the reduction of the material to produce Ti 3+ in the bulk TiO 2 . In contrast, low temperature plasma treatment for 10 or 20 min generated surface Ti 3+ species via the removal of oxygen on both the neat and hydrogenated material. Assessing the photocatalytic activity of the materials demonstrated a 40–130% increase in the rate of formic acid oxidation after plasma treatment. A strong relationship between the Ti 3+ content and catalyst activity was established, although a change in the Si–Ti interaction after plasma treating of the neat SiO 2 /TiO 2 material was found to limit performance, and suggests that performance is not determined solely by the presence of Ti 3+ .

36 MATERIALS SCIENCE↗
NASA NTRS2008

The Development of Metal Oxide Chemical Sensing Nanostructures

This paper discusses sensor development based on metal oxide nanostructures and microsystems technology. While nanostructures such as nanowires show significant potential as enabling materials for chemical sensors, a number of significant technical challenges remain. This paper discusses development to address each of these technical barriers: 1) Improved contact and integration of the nanostructured materials with microsystems in a sensor structure; 2) Control of nanostructure crystallinity to allow control of the detection mechanism; and 3) Widening the range of gases that can be detected by fabricating multiple nanostructured materials. A sensor structure composed of three nanostructured oxides aligned on a single microsensor has been fabricated and tested. Results of this testing are discussed and future development approaches are suggested. It is concluded that while this work lays the foundation for further development, these are the beginning steps towards realization of repeatable, controlled sensor systems using oxide based nanostructures.

Hunter, G. W.↗
DOE OSTI2023

Solvothermal synthesis of metal alkanoate and metal oxide nanoparticles

A facile solvothermal method can be used to synthesize metal alkanoate nanoparticles using a metal nitrate precursor, alcohol/water, and alkanoic acid. The method can produce lanthanide (e.g., La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, or Yb) and transition metal (e.g., Ag, Co, Cu, or Pb) alkanoate nanoparticles (<100 nm) with spherical morphology. These hybrid nanomaterials adopt a lamellar structure consisting of inorganic metal cation layers separated by an alkanoate anion bilayer and exhibit liquid crystalline phases during melting. The metal alkanoate nanoparticles can be calcined to produce metal oxide nanoparticles.

Treadwell, LaRico Juan↗
DOE OSTI2024

Metal Oxide vs Organic Semiconductor Charge Extraction Layers for Halide Perovskite Indoor Photovoltaics

Halide perovskite indoor photovoltaics (PVs) are highly promising to autonomously power the billions of microelectronic sensors in the emerging and disruptive technology of the Internet of Things (IoT). However, how the wide range of different types of hole extraction layers (HELs) impacts the indoor light harvesting of perovskite solar cells is still elusive, which hinders the material selection and industrial–scale fabrication of indoor perovskite photovoltaics. In the present study, new insights are provided regarding the judicial selection of HELs at the buried interface of halide perovskite indoor photovoltaics. This study unravels the detrimental and severe light–soaking effect of metal oxide transport layer–based PV devices under the indoor lighting effect for the first time, which then necessitates the interface passivation/engineering for their reliant performance. This is not a stringent criterion under 1 sun illumination. By systematically investigating the charge carrier dynamics and sequence of measurements from dark, light–soaked, interlayer–passivated device, the bulk and interface defects are decoupled and reveal the gradual defect passivation from shallow to deep level traps. Thus, the present study puts forward a useful design strategy to overcome the deleterious effect of metal oxide HELs and employ them in halide perovskite indoor PVs.

14 SOLAR ENERGY↗
NASA NTRS1987

Response of a metal-oxide-semiconductor field-effect transistor to a cosmic-ray ion track

A cosmic-ray ion track passing perpendicularly through the oxide layer of an enhancement-mode metal-oxide-semiconductor field-effect transistor (MOSFET) forms a conducting path, the resistance of which is proportional to the stopping power of the cosmic ion and independent of the cross-sectional area of the ion track. The voltage across the oxide capacitance may drop below the threshold voltage if the gate bias is sufficiently low or if the external resistance in the gate-source circuit is sufficiently high. The first of a pair of MOSFETs forming a flip-flop circuit may thus be turned off, and the second transitor may turn on, providing it has a sufficiently short delay time, thereby completing a single-event upset.

Benumof, Reuben↗
DOE OSTI2019

Cesium Induced Changes in the Acid-Base Properties of Metal Oxides and the Consequences for Methanol Thiolation

Cs+ modified ?-alumina, titania anatase and zirconia in the absence of WS2 are active catalysts for methanol thiolation. Pyridine and CO adsorption via IR show that Cs+ cations induce higher concentrations and strength of base sites. Reaction rates are similar on all three catalysts, indicating that the Cs+ cations are part of the dominating active sites. Methanol thiolation shows similar apparent activation energies, decreasing with Cs+ concentration. Reaction orders close to 0.5 for both reactants suggest that all three metal oxides and their alkali-metal modified counterparts follow the identical base-catalyzed Langmuir-Hinshelwood mechanism. A reaction between the surface alcoholate and the corresponding sulfhydryl groups is hypothesized to be the pathway for reaction. The authors would like to thank SAINT-GOBAIN NorPro for providing the ZrO2 materials, used in this work. RBD would like to thank the Alexander von Humboldt foundation for financial support. J.A.L. was supported by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (BES), Division of Chemical Sciences, Geosciences and Biosciences (Transdisciplinary Approaches to Realize Novel Catalytic Pathways to Energy Carriers, FWP 47319).

lewis acid base pairs, metal oxide, alkaline modif↗
NASA NTRS2006

Chemical Sensors Based on Metal Oxide Nanostructures

This paper is an overview of sensor development based on metal oxide nanostructures. While nanostructures such as nanorods show significan t potential as enabling materials for chemical sensors, a number of s ignificant technical challenges remain. The major issues addressed in this work revolve around the ability to make workable sensors. This paper discusses efforts to address three technical barriers related t o the application of nanostructures into sensor systems: 1) Improving contact of the nanostructured materials with electrodes in a microse nsor structure; 2) Controling nanostructure crystallinity to allow co ntrol of the detection mechanism; and 3) Widening the range of gases that can be detected by using different nanostructured materials. It is concluded that while this work demonstrates useful tools for furt her development, these are just the beginning steps towards realizati on of repeatable, controlled sensor systems using oxide based nanostr uctures.

Hunter, Gary W.↗