Search NASA⌕ Search

SEARCH · Search NASA

Results for “Electrical and Electronics”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Two-Dimensional Palladium Diselenide with Strong In-Plane Optical Anisotropy and High Mobility Grown by Chemical Vapor Deposition

Two-dimensional (2D) palladium diselenide (PdSe 2 ) has strong interlayer coupling and a puckered pentagonal structure, leading to remarkable layer-dependent electronic structures and highly anisotropic in-plane optical and electronic properties. However, the lack of high-quality, 2D PdSe 2 crystals grown by bottom-up approaches limits the study of their exotic properties and practical applications. In this work, chemical vapor deposition growth of highly crystalline few-layer (≥2 layers) PdSe 2 crystals on various substrates is reported. The high quality of the PdSe 2 crystals is confirmed by low-frequency Raman spectroscopy, scanning transmission electron microscopy, and electrical characterization. In addition, strong in-plane optical anisotropy is demonstrated via polarized Raman spectroscopy and second-harmonic generation maps of the PdSe 2 flakes. A theoretical model based on kinetic Wulff construction theory and density functional theory calculations is developed and described the observed evolution of “square=like” shaped PdSe 2 crystals into rhombus due to the higher nucleation barriers for stable attachment on the (1,1) and (1,-1) edges, which results in their slower growth rates. Finally, few-layer PdSe 2 field-effect transistors reveal tunable ambipolar charge carrier conduction with an electron mobility up to ≈294 cm 2 V -1 s -1 , which is comparable to that of exfoliated PdSe 2 , indicating the promise of this anisotropic 2D material for electronics.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Phase-Controllable Synthesis of Ultrathin Molybdenum Nitride Crystals Via Atomic Substitution of MoS 2

MXenes are emerging members in the two-dimensional (2D) material family and are highlighted by their high electrical conductivity. Among different MXenes, molybdenum-based MXenes, especially molybdenum nitrides (MoN x ), are rarely accessible through the common synthetic approach of selective etching due to the absence of stable MAX phase precursors. In this work, we apply the atomic substitution approach to synthesize two phases of ultrathin nonlayered molybdenum nitrides (i.e., Mo 5 N 6 and δ-MoN) from 1.6 to 42.9 nm thickness by converting layered MoS 2 under different temperatures. The morphology and 2D nature of MoS 2 are well remained in both phases. These newly created 2D materials are further characterized using Raman spectroscopy, high-resolution transmission electron microscopy, and electrical measurements, suggesting that both phases are highly crystalline and highly conductive down to the thickness of a few nanometers. Moreover, Ohmic contacts are formed between the ultrathin nitrides and Cr/Au electrodes, suggesting the great potential of the obtained nitrides for nanoelectronic device applications. The stability test shows that the Ohmic contact is well maintained after 4 weeks under ambient conditions with a slight degradation in conductivity. Furthermore, this study extends the 2D family by providing highly conductive members, offering desired building blocks for solid-state nanoelectronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Phoebe: a high-performance framework for solving phonon and electron Boltzmann transport equations

Understanding the electrical and thermal transport properties of materials is critical to the design of electronics, sensors, and energy conversion devices. Computational modeling can accurately predict material properties but, in order to be reliable, requires accurate descriptions of electron and phonon states and their interactions. While first-principles methods are capable of describing the energy spectrum of each carrier, using them to compute transport properties is still a formidable task, both computationally demanding and memory intensive, requiring integration of fine microscopic scattering details for estimation of macroscopic transport properties. To address this challenge, we present Phoebe—a newly developed software package that includes the effects of electron–phonon, phonon–phonon, boundary, and isotope scattering in computations of electrical and thermal transport properties of materials with a variety of available methods and approximations. This open source C++ code combines MPI-OpenMP hybrid parallelization with GPU acceleration and distributed memory structures to manage computational cost, allowing Phoebe to effectively take advantage of contemporary computing infrastructures. We demonstrate that Phoebe accurately and efficiently predicts a wide range of transport properties, opening avenues for accelerated computational analysis of complex crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Tuning Surface Acidity of Mixed Conducting Electrodes: Recovery of Si‐Induced Degradation of Oxygen Exchange Rate and Area Specific Resistance

Abstract Metal oxides are an important class of functional materials, and for many applications, ranging from solid oxide fuel/electrolysis cells, oxygen permeation membranes, and oxygen storage materials to gas sensors (semiconducting and electrolytic) and catalysts, the interaction between the surface and oxygen in the gas phase is central. Ubiquitous Si‐impurities are known to impede this interaction, commonly attributed to the formation of glassy blocking layers on the surface. Here, the surface oxygen exchange coefficient ( k chem ) is examined for Pr 0.1 Ce 0.9 O 2‐δ (PCO), a model mixed ionic electronic conductor, via electrical conductivity relaxation measurements, and the area‐specific resistance (ASR) by electrochemical impedance spectroscopy. It is demonstrated that even low silica levels, introduced by infiltration, depress k chem by a factor 4000, while the ASR increases 40‐fold and we attribute this to its acidity relative to that of PCO. The ability to fully regenerate the poisoned surface by the subsequent addition of basic Ca‐ or Li‐species is further shown. This ability to not only recover Si‐poisoned surfaces by tuning the relative surface acidity of an oxide surface, but subsequently outperform the pre‐poisoned response, promises to extend the operating life of materials and devices for which the catalytic oxygen/solid interface reaction is central.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Measurement of the longitudinal diffusion of ionization electrons in the MicroBooNE detector

Accurate knowledge of electron transport properties is vital to understanding the information provided by liquid argon time projection chambers (LArTPCs). Ionization electron drift-lifetime, local electric field distortions caused by positive ion accumulation, and electron diffusion can all significantly impact the measured signal waveforms. This paper presents a measurement of the effective longitudinal electron diffusion coefficient, D L , in MicroBooNE at the nominal electric field strength of 273.9 V/cm. Historically, this measurement has been made in LArTPC prototype detectors. This represents the first measurement in a large-scale (85 tonne active volume) LArTPC operating in a neutrino beam. This is the largest dataset ever used for this measurement. Using a sample of ~70,000 through-going cosmic ray muon tracks tagged with MicroBooNE's cosmic ray tagger system, we measure D L = 3.74 +0.28 -0.29 cm 2 /s.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Comprehensive Electrical Control of Metamagnetic Transition of a Quasi-2D Antiferromagnet by In Situ Anisotropic Strain

Effective nonmagnetic control of the spin structure is at the forefront of the study for functional quantum materials. This study demonstrates that, by applying an anisotropic strain up to only 0.05%, the metamagnetic transition field of spin–orbit-coupled Mott insulator Sr 2 IrO 4 can be in situ modulated by almost 300%. Simultaneous measurements of resonant X-ray scattering and transport reveal that this drastic response originates from the complete strain-tuning of the transition between the spin-flop and spin-flip limits, and is always accompanied by large elastoconductance and magnetoconductance. This enables electrically controllable and electronically detectable metamagnetic switching, despite the antiferromagnetic insulating state. The obtained strain-magnetic field phase diagram reveals that C 4 -symmetry-breaking anisotropy is introduced by strain via pseudospin-lattice coupling, directly demonstrating the pseudo-Jahn–Teller effect of spin–orbit-coupled complex oxides. The extracted coupling strength is much weaker than the superexchange interactions, yet crucial for the spontaneous symmetry-breaking, affording the remarkably efficient strain-control.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Lateral Confinement in 2D Nanoplatelets: A Strategy to Expand the Colloidal Quantum Engineering Toolbox

Among colloidal nanocrystals, 2D nanoplatelets offer a unique set of properties with exceptionally narrow luminescence and low lasing thresholds. Furthermore, their anisotropic shape expands the playground for the complex design of heterostructures where spectra but also scattering rates can be engineered. A challenge that still remains is to combine shell growth which makes NPLs stable, with spectral tunability. Indeed, most reported shelled nanoplatelets end up being red emitters due to a loss of quantum confinement. Here, the combination of both lateral and in-plane confinements within a single heterostructure is explored. A CdS/CdSe/CdS/CdZnS core–crown–crown shell structure that enables yellow emission is grown and that is responsive to a large range of excitation including visible photons, X-ray photons, electron beams, and electrical excitations. k.p simulations predict that emission tunability of up to several 100 s of meV can be obtained in ideal structures. This material also displays stimulated emission resulting from bi-exciton emission with a low threshold. Once integrated into an LED stack, this material is compatible with sub-bandgap excitation and exhibits high luminance. Scaling of the electroluminescence properties by downsizing the pixel size is also investigated.

2D materials↗
DOE OSTI2023

Beyond Solvothermal: Alternative Synthetic Methods for Covalent Organic Frameworks

Abstract Covalent organic frameworks (COFs) are crystalline porous organic materials that hold a wealth of potential applications across various fields. The development of COFs, however, is significantly impeded by the dearth of efficient synthetic methods. The traditional solvothermal approach, while prevalent, is fraught with challenges such as complicated processes, excessive energy consumption, long reaction times, and limited scalability, rendering it unsuitable for practical applications. The quest for simpler, quicker, more energy‐efficient, and environmentally benign synthetic strategies is thus paramount for bridging the gap between academic COF chemistry and industrial application. This Review provides an overview of the recent advances in alternative COF synthetic methods, with a particular emphasis on energy input. We discuss representative examples of COF synthesis facilitated by microwave, ultrasound, mechanic force, light, plasma, electric field, and electron beam. Perspectives on the advantages and limitations of these methods against the traditional solvothermal approach are highlighted.

Hu, Jiyun↗
DOE OSTI2023

Beyond Solvothermal: Alternative Synthetic Methods for Covalent Organic Frameworks

Abstract Covalent organic frameworks (COFs) are crystalline porous organic materials that hold a wealth of potential applications across various fields. The development of COFs, however, is significantly impeded by the dearth of efficient synthetic methods. The traditional solvothermal approach, while prevalent, is fraught with challenges such as complicated processes, excessive energy consumption, long reaction times, and limited scalability, rendering it unsuitable for practical applications. The quest for simpler, quicker, more energy‐efficient, and environmentally benign synthetic strategies is thus paramount for bridging the gap between academic COF chemistry and industrial application. This Review provides an overview of the recent advances in alternative COF synthetic methods, with a particular emphasis on energy input. We discuss representative examples of COF synthesis facilitated by microwave, ultrasound, mechanic force, light, plasma, electric field, and electron beam. Perspectives on the advantages and limitations of these methods against the traditional solvothermal approach are highlighted.

Hu, Jiyun↗
DOE OSTI2023

NiFe Nanoparticle Nest Supported on Graphene as Electrocatalyst for Highly Efficient Oxygen Evolution Reaction

Abstract Designing cost‐efffective electrocatalysts for the oxygen evolution reaction (OER) holds significant importance in the progression of clean energy generation and efficient energy storage technologies, such as water splitting and rechargeable metal–air batteries. In this work, an OER electrocatalyst is developed using Ni and Fe precursors in combination with different proportions of graphene oxide. The catalyst synthesis involved a rapid reduction process, facilitated by adding sodium borohydride, which successfully formed NiFe nanoparticle nests on graphene support (NiFe NNG). The incorporation of graphene support enhances the catalytic activity, electron transferability, and electrical conductivity of the NiFe‐based catalyst. The NiFe NNG catalyst exhibits outstanding performance, characterized by a low overpotential of 292.3 mV and a Tafel slope of 48 mV dec −1 , achieved at a current density of 10 mA cm − 2 . Moreover, the catalyst exhibits remarkable stability over extended durations. The OER performance of NiFe NNG is on par with that of commercial IrO 2 in alkaline media. Such superb OER catalytic performance can be attributed to the synergistic effect between the NiFe nanoparticle nests and graphene, which arises from their large surface area and outstanding intrinsic catalytic activity. The excellent electrochemical properties of NiFe NNG hold great promise for further applications in energy storage and conversion devices.

Chemistry↗
DOE OSTI2020

Microwave-assisted ammonia synthesis over Ru/MgO catalysts at ambient pressure

Here, in this work, a fixed frequency (2.45 GHz) microwave (MW) was used to synthesis ammonia over Ru/MgO catalysts under ambient atmospheric pressure at 320 °C. The loading of Ru catalyst over MgO was varied at 4% and 10 wt %. The metal support interaction was found to play an important role not only catalytically but also altering the microwave-catalyst interaction affecting the ammonia formation rate. The higher metal loading (10 wt%) produced the most activity, stability, and energy efficiency. It was found the Ru was better dispersed at higher loading which decreased the sintering of the catalyst due to lower microwave energy needed to maintain the reaction temperature. Additional effects from the microwave can include enhanced electron movement and/or electric fields formed between the metal sites of the catalyst. The microwave reactor offers a quick on/off catalyst recovery, within 11 min, compared to thermal convectional Haber Bosch (HB) technology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Liquid electrolytes for low-temperature lithium batteries: main limitations, current advances, and future perspectives

Lithium-ion batteries (LIBs) can now be used in almost all modern electronic devices and electric vehicles. However, as the range of applications increases, the challenges increase as well, especially at very low temperatures. Many individual processes could result in capacity loss of LIBs at low temperatures; however, most of them are associated with the liquid electrolyte inside the battery. In this review, we first discuss the main limitations in developing liquid electrolytes used in low-temperature LIBs, and then we summarize the current advances in low-temperature electrolytes, including lithium salts, solvents, additives, and new strategies. Finally, we present some perspectives on the current state of low-temperature electrolytes for LIBs, outlining the most promising research areas in this field. In conclusion, this review will provide useful insights into the design of cryogenic electrolytes and the path forward to the widespread use of LIBs in cryogenic environments.

25 ENERGY STORAGE↗
DOE OSTI2020

Rechargeable Alkali-Ion Battery Materials: Theory and Computation

Since its development in the 1970s, the rechargeable alkali-ion battery has proven to be a truly transformative technology, providing portable energy storage for devices ranging from small portable electronics to sizable electric vehicles. Here, we present a review of modern theoretical and computational approaches to the study and design of rechargeable alkali-ion battery materials. Additionally, starting from fundamental thermodynamics and kinetics phenomenological equations, we rigorously derive the theoretical relationships for key battery properties, such as voltage, capacity, alkali diffusivity, and other electrochemically relevant computable quantities. We then present an overview of computational techniques for the study of rechargeable alkali-ion battery materials, followed by a critical review of the literature applying these techniques to yield crucial insights into battery operation and performance. Finally, we provide perspectives on outstanding challenges and opportunities in the theory and computation of rechargeable alkali-ion battery materials.

25 ENERGY STORAGE↗
DOE OSTI2025

Review on Preprocessing Strategies, Deactivation, Thermal Safety, and Future Perspectives in Lithium-Ion Battery Recycling

The rapid growth in the use of lithium-ion batteries (LIBs) in electric vehicles, consumer electronics, and renewable energy storage has made effective end-of-life management essential. Recycling LIBs is critical not only for resource recovery and environmental protection but also for ensuring safety and economic viability. This review focuses on the preprocessing technologies that precede typical recovery processes, including disassembly, sorting, discharging, electrolyte removal, dismantling, thermal treatment, separation, and flotation. These steps play a foundational role in determining the efficiency, safety, and environmental impact of LIB recycling. LIBs pose substantial fire and explosion risks due to residual charge, flammable electrolytes, and reactive materials. The conditions and successive progression of the exothermic reactions which lead to thermal runaway has been discussed. It also explores secure deactivation techniques such as external circuit discharge, saline immersion, and thermomechanical methods, alongside fire prevention strategies including the use of flame retardants, elimination of oxidants, and reduction of heat generation and accumulation. Challenges and future directions are outlined, highlighting the need for standardized designs, automation, and safer, more sustainable recycling infrastructure. Furthermore, this review is distinguished by its focused analysis of preprocessing and deactivation steps, with particular attention to the thermal safety engineering aspects of LIB recycling.

Battery deactivation↗
DOE OSTI2023

Li 2 GeS 3 : Lithium Ionic Conductor with an Unprecedented Structural Type

Lithium-ion batteries (LIBs) are widely used in electric vehicles, mobile electronic devices, and large-scale stationary energy storage systems. However, their liquid electrolytes present significant safety concerns due to their inherent flammability. To address this, the focus has shifted toward all-solid-state batteries (ASSBs) utilizing inorganic solid electrolytes that promise enhanced safety. In this work, we report the discovery of a new crystal structural type of Li-ion conductor, Li 2 GeS 3 , with a unique structure, synthesized by a solid-state reaction from Li 2 S and GeS 2 . It was first reported in 2000 with an orthorhombic unit cell, but its detailed crystal structure remains veiled. Here, we have unveiled its structure for the first time, employing an ab initio structure determination technique from powder X-ray and time-of-flight neutron diffraction data. The compound has an unprecedented crystal structural type with a hexagonal $P6_1$ symmetry and a unit cell of α = 6.79364(4) Å and c = 17.90724(14) Å. Its structure is comprised of a distorted hexagonal close-packed arrangement of sulfur anions with three asymmetric metal atoms: Li1, Li2, and Ge are in tetrahedral cavities surrounded by sulfur atoms. The ionic conductivity of Li 2 GeS 3 was measured to be 1.63 × 10 –8 S cm –1 at 303 K and 2.45 × 10 –7 S cm –1 at 383 K. Bond valence energy landscape calculations revealed three-dimensional lithium diffusion pathways within the structure. This novel crystal structure in Li 2 GeS 3 holds the potential for developing high-performance ionic conductors through suitable chemical substitution and offers valuable insights into designing new ionic conductors for ASSBs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Tortuosity Engineering for Improved Charge Storage Kinetics in High-Areal-Capacity Battery Electrodes

The increasing demands of electronic devices and electric transportation necessitate lithium-ion batteries with simultaneous high energy and power capabilities. However, rate capabilities are often limited in high-loading electrodes due to the lengthy and tortuous ion transport paths with their electrochemical behaviors governed by complicated electrode architectures still elusive. Here, we report the electrode-level tortuosity engineering design enabling improved charge storage kinetics in high-energy electrodes. Both high areal capacity and high-rate capability can be achieved beyond the practical level of mass loadings in electrodes with vertically oriented architectures. The electrochemical properties in electrodes with various architectures were quantitatively investigated through correlating the characteristic time with tortuosity. The lithium-ion transport kinetics regulated by electrode architectures was further studied via combining the three-dimensional electrode architecture visualization and simulation. Finally, the tortuosity-controlled charge storage kinetics revealed in this study can be extended to general electrode systems and provide useful design consideration for next-generation high-energy/power batteries.

25 ENERGY STORAGE↗