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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Novel vertically aligned nanocomposite of Bi 2 WO 6 -Co 3 O 4 with room-temperature multiferroic and anisotropic optical response

A review of a new vertically aligned nanocomposite (VAN) structure based on two-dimensional (2D) layered oxides has been designed and self-assembled on both LaAlO 3 (001) and SrTiO 3 (001) substrates. The new VAN structure consists of epitaxially grown Co 3 O 4 nanopillars embedded in the Bi 2 WO 6 matrix with a unique 2D layered structure, as evidenced by the microstructural analysis. Physical property measurements show that the new Bi 2 WO 6 -Co 3 O 4 VAN structure exhibits strong ferromagnetic and piezoelectric response at room temperature as well as anisotropic permittivity response. This work demonstrates a new approach in processing multifunctional VANs structure based on the layered oxide systems towards future nonlinear optics, ferromagnets, and multiferroics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Facile hermetic TEM grid preparation for molecular imaging of hydrated biological samples at room temperature

Abstract Although structures of vitrified supramolecular complexes have been determined at near-atomic resolution, elucidating in situ molecular structure in living cells remains a challenge. Here, we report a straightforward liquid cell technique, originally developed for real-time visualization of dynamics at a liquid-gas interface using transmission electron microscopy, to image wet biological samples. Due to the scattering effects from the liquid phase, the micrographs display an amplitude contrast comparable to that observed in negatively stained samples. We succeed in resolving subunits within the protein complex GroEL imaged in a buffer solution at room temperature. Additionally, we capture various stages of virus cell entry, a process for which only sparse structural data exists due to their transient nature. To scrutinize the morphological details further, we used individual particle electron tomography for 3D reconstruction of each virus. These findings showcase this approach potential as an efficient, cost-effective complement to other microscopy technique in addressing biological questions at the molecular level.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Flexible Vanadium Dioxide Photodetectors for Visible to Longwave Infrared Detection at Room Temperature

Abstract Flexible optoelectronics is a rapidly growing field, with a wide range of potential applications. From wearable sensors to bendable solar cells, curved displays, and curved focal plane arrays, the possibilities are endless. The criticality of flexible photodetectors for many of these applications is acknowledged, however, devices that are demonstrated thus far are limited in their spectral range. In this study, flexible photodetectors are demonstrated using a VO x nanoparticle ink, with an extremely broad operating wavelength range of 0.4 to 20 µm. This ink is synthesized using a simple and scalable wet‐chemical process. These photodetectors operate at room temperature and exhibit minimal variance in performance even when bent at angles of up to 100 ° at a bend radius of 6.4 mm. In addition, rigorous strain testing of 100 bend and release cycles revealed a photoresponse with a standard deviation of only 0.55%. This combination of mechanical flexibility, wide spectral response, and ease of fabrication makes these devices highly desirable for a wide range of applications, including low‐cost wearable sensors and hyperspectral imaging systems.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ultrasensitive Room Temperature Infrared Photodetection Using a Narrow Bandgap Conjugated Polymer

Abstract Photodetectors operating across the short‐, mid‐, and long‐wave infrared (SWIR–LWIR, λ = 1–14 µm) underpin modern science, technology, and society in profound ways. Narrow bandgap semiconductors that form the basis for these devices require complex manufacturing, high costs, cooling, and lack compatibility with silicon electronics, attributes that remain prohibitive for their widespread usage and the development of emerging technologies. Here, a photoconductive detector, fabricated using a solution‐processed narrow bandgap conjugated polymer is demonstrated that enables charge carrier generation in the infrared and ultrasensitive SWIR–LWIR photodetection at room temperature. Devices demonstrate an ultralow electronic noise that enables outstanding performance from a simple, monolithic device enabling a high detectivity ( D *, the figure of merit for detector sensitivity) >2.44 × 10 9 Jones (cm Hz 1/2 W −1 ) using the ultralow flux of a blackbody that mirrors the background emission of objects. These attributes, ease of fabrication, low dark current characteristics, and highly sensitive operation overcome major limitations inherent within modern narrow–bandgap semiconductors, demonstrate practical utility, and suggest that uncooled detectivities superior to many inorganic devices can be achieved at high operating temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Self-biased magnetoelectric switching at room temperature in three-phase ferroelectric–antiferromagnetic–ferrimagnetic nanocomposites

Magnetoelectric systems could be used to develop magnetoelectric random access memory and microsensor devices. One promising system is the two-phase 3-1-type multiferroic nanocomposite in which a one-dimensional magnetic column is embedded in a three-dimensional ferroelectric matrix. However, it suffers from a number of limitations including unwanted leakage currents and the need for biasing with a magnetic field. Here we show that the addition of an antiferromagnet to a 3-1-type multiferroic nanocomposite can lead to a large, self-biased magnetoelectric effect at room temperature. Our three-phase system is composed of a ferroelectric Na 0.5 Bi 0.5 TiO 3 matrix in which ferrimagnetic NiFe 2 O 4 nanocolumns coated with antiferromagnetic p-type NiO are embedded. This system, which is self-assembled, exhibits a magnetoelectric coefficient of up to 1.38 × 10 –9 s m –1 , which is large enough to switch the magnetic anisotropy from the easy axis (K eff = 0.91 × 10 4 J m –3 ) to the easy plane (K eff = –1.65 × 10 4 J m –3 ).

42 ENGINEERING↗
DOE OSTI2023

Dioxin-Linked Covalent Organic Framework-Supported Palladium Complex for Rapid Room-Temperature Suzuki–Miyaura Coupling Reaction

Covalent organic framework (COF)-supported palladium catalysts have garnered enormous attention for cross-coupling reactions. However, the limited linkage types in COF hosts and their suboptimal catalytic performance have hindered their widespread implementation. Herein, we present the first study immobilizing palladium acetate onto a dioxin-linked COF (Pd/COF-318) through a facile solution impregnation approach. By virtue of its permanent porosity, accessible Pd sites arranged in periodic skeletons, and framework robustness, the resultant Pd/COF-318 exhibits exceptionally high activity and broad substrate scope for the Suzuki–Miyaura coupling reaction between aryl bromides and arylboronic acids at room temperature within an hour, rendering it among the most effective Pd/COF catalysts for Suzuki–Miyaura coupling reactions to date. Moreover, Pd/COF-318 demonstrates excellent recyclability, retaining high activity over five cycles without significant deactivation. The leaching test confirms the heterogeneity of the catalyst. This work uncovers the vast potential of dioxin-linked COFs as catalyst supports for highly active, selective, and durable organometallic catalysis.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Record high room temperature resistance switching in ferroelectric-gated Mott transistors unlocked by interfacial charge engineering

Abstract The superior size and power scaling potential of ferroelectric-gated Mott transistors makes them promising building blocks for developing energy-efficient memory and logic applications in the post-Moore’s Law era. The close to metallic carrier density in the Mott channel, however, imposes the bottleneck for achieving substantial field effect modulation via a solid-state gate. Previous studies have focused on optimizing the thickness, charge mobility, and carrier density of single-layer correlated channels, which have only led to moderate resistance switching at room temperature. Here, we report a record high nonvolatile resistance switching ratio of 38,440% at 300 K in a prototype Mott transistor consisting of a ferroelectric PbZr 0.2 Ti 0.8 O 3 gate and an R NiO 3 ( R : rare earth)/La 0.67 Sr 0.33 MnO 3 composite channel. The ultrathin La 0.67 Sr 0.33 MnO 3 buffer layer not only tailors the carrier density profile in R NiO 3 through interfacial charge transfer, as corroborated by first-principles calculations, but also provides an extended screening layer that reduces the depolarization effect in the ferroelectric gate. Our study points to an effective material strategy for the functional design of complex oxide heterointerfaces that harnesses the competing roles of charge in field effect screening and ferroelectric depolarization effects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Anomalous Hall effect in nanoscale structures of the antiferromagnetic Weyl semimetal Mn 3 Sn at room temperature

The magnetic Weyl semimetallic state in the chiral antiferromagnet Mn 3 Sn has attracted interest for its potential in memory technology. Despite vanishingly small magnetization, the material exhibits large transverse responses that can be electrically manipulated, similar to ferromagnets. Through deposition on heated Si/SiO 2 substrates, we have fabricated polycrystalline Mn 3 Sn films that have coarse surfaces, the thinner of which have a discontinuous structure comprised of grains with diameters of the order of 100 nm. Here we confirm that these grains retain the anomalous Hall effect arising in the time reversal symmetry broken chiral antiferromagnetic phase of Mn 3 Sn at room temperature by serially connecting the grains with an additional conducting layer. These results pave the path for the potential applications of nanoscale Mn 3 Sn systems, which could be useful in the development of energy efficient memory devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High pressure–derived nonsymmetrical [Cu 2 O] 2+ core for room-temperature methane hydroxylation

Nonsymmetrical oxygen-bridged binuclear copper centers have been proposed and modeled as intermediates and transition states in several C–H oxidation pathways, leading to the postulation that structural dissymmetry enhances the reactivity of the bridging oxygen. However, experimentally characterizing the structure and reactivity of these transient species is remarkably challenging. Here, we report the high-pressure synthesis of a metastable nonsymmetrical dicopper-μ-oxo compound with exceptional reactivity toward the mono-oxygenation of aliphatic C–H bonds. The nonequivalent coordination environment of copper stabilizes localized mixed valency and greatly enhances the hydrogen atom abstraction activity of the bridging oxygen, enabling room-temperature hydroxylation of methane under pressure. These findings highlight the role of dissymmetry in the reactivity of binuclear copper centers and demonstrate precise control of molecular structures by mechanical means.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Observation of large Rashba spin–orbit coupling at room temperature in compositionally engineered perovskite single crystals and application in high performance photodetectors

Indirect absorption extended below the direct transition edge and increase in carrier lifetime derived from Rashba spin–orbit coupling may advance the optoelectronic applications of metal halide perovskites. Spin-orbit coupling in halide perovskites is due to the presence of heavy elements in their structure. However, when these materials lack an inversion symmetry, for example by the application of strain, spin–orbit coupling becomes odd in the electron’s momentum giving rise to a splitting in the electronic energy bands. Here we report on the observation of a large Rashba splitting of 117 meV at room temperature, as predicted by relativistic first-principles calculations, in halide perovskite single crystals through a facile compositional engineering approach. Partial substitution of organic cations by rubidium in single crystals induces significant indirect absorption and dual peak photoluminescence as a result of a large Rashba splitting. We measured circularly polarized photoluminescence and magneto-photoluminescence in perovskite films printed by single crystals as well as magneto-electroluminescence and magneto-photocurrent in spin-LEDs based on perovskite single crystals. They indicated significant spin-momentum locking due to the large Rashba effect. A hybrid perovskite single crystal photodetector achieved record figures of merit, including detectivity of more than 1.3 × 10 18 Jones which represents a three orders of magnitude improvement compared to the to date record. Furthermore, these findings show that facile compositional engineering of perovskite single crystals holds great promise for further advancing the optoelectronic properties of existing materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Prediction of room-temperature multiferroicity in strained MoCr 2 S 6 monolayer

The contrasting d-orbital occupation required for ferroelectricity vs ferromagnetism makes it difficult for their coexistence in two-dimensional materials, especially at high temperature. To resolve this intrinsic contradiction, we propose a layered MoCr 2 S 6 multiferroics by alloying magnetic Cr element into the ferroelectric 1T phase of the MoS 2 matrix. First-principles calculations disclose that a spontaneous symmetry breaking, depending on the Mo atom displacement, leads to a robust ferroelectricity, which coexists with a ferromagnetic order originated from two neighboring Cr atoms. The effect can be further enhanced by tensile strain to bring about a room-temperature multiferroicity. Our results shed new light on the fundamental understanding of multiferroics and display promising applications in spintronics and multistate data storage.

2D materials↗
DOE OSTI2023

Inducing skyrmion flop transitions in Co 8 Zn 8 Mn 4 at room temperature

Magnetic skyrmions are topologically-protected spin textures that manifest in certain noncentrosymmetric ferromagnets under the right conditions of temperature and field. In thin-film skyrmion hosts, demagnetization effects combined with geometric confinement can result in two distinct types of spin textures: those with their axis of symmetry in the plane of the film (IP) and those with their axis pointing out-of-plane (OOP). Here we present Lorentz transmission electron microscopy evidence in conjunction with numerical modeling showing a flop transition between IP and OOP skyrmions in Co 8 ⁢Zn 8 ⁢Mn 4 at room temperature. Further, we show that this skyrmion flop transition is controllable via the angle of the external field relative to the film normal and we illustrate how this transition depends on thickness. Finally, we propose a skyrmion-writing device that utilizes the details of this transition.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Synthesis, antibiotic structure–activity relationships, and cellulose dissolution studies of new room-temperature ionic liquids derived from lignin

Ionic liquids (ILs) are promising pretreatment solvents for lignocellulosic biomass, but are largely prepared from petroleum precursors. Benzaldehydes from depolymerized lignin, such as vanillin, syringaldehyde, and 4-methoxy benzaldehyde, represent renewable feedstocks for the synthesis of ionic liquids. We herein report syntheses of novel lignin-derived ionic liquids, with extended N -alkyl chains, and examine their melting points, cellulose dissolution capacities, and toxicity profiles against Daphnia magna and E. coli strain 1A1. The latter organism has been engineered to produce isoprenol, a drop-in biofuel and precursor for commodity chemicals. The new N,N -diethyl and N,N -dipropyl methyl benzylammonium ILs were liquids at room temperature, showing 75–100 °C decreased melting points as compared to their N,N,N -trimethyl benzylammonium analog. Extension of N -alkyl chains also increased antibacterial activity threefold, while ionic liquids prepared from vanillin showed 2- to 4-fold lower toxicity as compared to those prepared from syringaldehyde and 4-methoxybenzaldehyde. The trend of antibacterial activity for anions of lignin-derived ILs was found to be methanesulfonate < acetate < hydroxide. Microcrystalline cellulose dissolution, from 2 to 4 wt% after 20 min at 100 °C, was observed in all new ILs using light microscopy and IR spectroscopy. Ionic liquids prepared from H-, S- and G-lignin oxidation products provided differential cytotoxic activity against E. coli and D. magna , suggesting these compounds could be tailored for application specificity within a biorefinery.

09 BIOMASS FUELS↗
DOE OSTI2024

Electrically Controlled All-Antiferromagnetic Tunnel Junctions on Silicon with Large Room-Temperature Magnetoresistance

Antiferromagnetic (AFM) materials are a pathway to spintronic memory and computing devices with unprecedented speed, energy efficiency, and bit density. Realizing this potential requires AFM devices with simultaneous electrical writing and reading of information, which are also compatible with established silicon-based manufacturing. Recent experiments have shown tunneling magnetoresistance (TMR) readout in epitaxial AFM tunnel junctions. However, these TMR structures are not grown using a silicon-compatible deposition process, and controlling their AFM order required external magnetic fields. Here are shown three-terminal AFM tunnel junctions based on the noncollinear antiferromagnet PtMn 3 , sputter-deposited on silicon. The devices simultaneously exhibit electrical switching using electric currents, and electrical readout by a large room-temperature TMR effect. First-principles calculations explain the TMR in terms of the momentum-resolved spin-dependent tunneling conduction in tunnel junctions with noncollinear AFM electrodes.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Near-room-temperature ferromagnetic ordering in the pressure-induced collapsed-tetragonal phase in SrC⁢o 2 ⁢P 2

We present high-pressure electrical transport, magnetization, and single-crystal x-ray diffraction data on SrC⁢o 2 ⁢P 2 single crystals, revealing a transition from the uncollapsed tetragonal (ucT) to the collapsed tetragonal (cT) phase >∼10 GPa. This structural transition is accompanied by ferromagnetic (FM) ordering with a Curie temperature up to 260 K. First-principles-based density functional theory calculations show that there is a first-order transition between ucT and cT phases, with an onset ∼10 GPa as well as the appearance of FM ordering in the cT phase. Above ∼30 GPa, the experimental signatures of the magnetic ordering vanish in a first-order-like manner, consistent with the theoretical calculation results, indicating that SrC⁢o 2 ⁢P 2 is another example of the avoidance of quantum criticality in FM intermetallic compounds with almost room-temperature critical temperature. SrC⁢o 2 ⁢P 2 provides clear evidence that the structural, electronic, and magnetic properties associated with the cT transition are strongly entangled and are not only qualitatively captured by our first-principles-based calculations but are quantitatively reproduced as well.

density functional theory↗
DOE OSTI2020

Quantum Phase Engineering of Two-Dimensional Post-Transition Metals by Substrates: Toward a Room-Temperature Quantum Anomalous Hall Insulator

In this work, we propose a new strategy to engineer topological and magnetic properties of two-dimensional (2D) hexagonal lattices consisting of post-transition metals. Our first-principles calculations demonstrate that substrates serve as templates to form 2D lattices with high thermodynamic stability, where their topological properties as well as magnetic properties sensitively change as a function of lattice constants, i.e., the system undergoes a first-order phase transition from nonmagnetic to ferromagnetic state above a critical lattice constant. Consequently, substrates can be used to explore versatile magnetic, electronic, and quantum topological properties. We establish phase diagrams of versatile quantum phases in terms of exchange coupling and spin–orbit coupling effectively tuned by the lattice constants. We further reveal the first room-temperature quantum anomalous Hall (QAH) effect, i.e., Sn on 2√3 × 2√3 graphane is a QAH insulator with a large spin–orbit coupling gap of ~0.2 eV and a Curie temperature of ~380 K by using the 2D anisotropic Heisenberg model.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Room Temperature Lasing from Semiconducting Single-Walled Carbon Nanotubes

Miniaturized near-infrared semiconductor lasers that are able to generate coherent light with low energy consumption have widespread applications in fields such as optical interconnects, neuromorphic computing, and deep-tissue optogenetics. With optical transitions at near-infrared wavelengths, diameter-tunable electronic structures, and superlative optoelectronic properties, semiconducting single-walled carbon nanotubes (SWCNTs) are promising candidates for nanolaser applications. However, despite significant efforts in this direction and recent progress toward enhancing spontaneous emission from SWCNTs through Purcell effects, SWCNT-based excitonic lasers have not yet been demonstrated. Leveraging an optimized cavity-emitter integration scheme enabled by a self-assembly process, here we couple SWCNT emission to the whispering gallery modes supported by polymer microspheres, resulting in room temperature excitonic lasing with an average lasing threshold of 4.5 kW/cm 2 . The high photostability of SWCNTs allows stable lasing for prolonged duration with minimal degradation. Finally, this experimental realization of excitonic lasing from SWCNTs, combined with their versatile electronic and optical properties that can be further controlled by chemical modification, offers far-reaching opportunities for tunable near-infrared nanolasers that are applicable for optical signal processing, in vivo biosensing, and optoelectronic devices.

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

Room-temperature neutron and X-ray data collection of 3CL M pro from SARS-CoV-2

The replication of SARS-CoV-2 produces two large polyproteins, pp1a and pp1ab, that are inactive until cleavage by the viral chymotrypsin-like cysteine protease enzyme (3CL M pro ) into a series of smaller functional proteins. At the heart of 3CL M pro is an unusual catalytic dyad formed by the side chains of His41 and Cys145 and a coordinated water molecule. The catalytic mechanism by which the enzyme operates is still unknown, as crucial information on the protonation states within the active site is unclear. To experimentally determine the protonation states of the catalytic site and of the other residues in the substrate-binding cavity, and to visualize the hydrogen-bonding networks throughout the enzyme, room-temperature neutron and X-ray data were collected from a large H/D-exchanged crystal of ligand-free (apo) 3CL M pro .

3CL Mpro↗