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At least 253 records · Page 14

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DOE OSTI2022

Enhancement of 2D topological semimetal transport properties by current annealing

Observation of intrinsic quantum transport properties of two-dimensional (2D) topological semimetals can be challenging due to suppression of high mobility caused by extrinsic factors introduced during fabrication. We demonstrate current annealing as a method to substantially improve electronic transport properties of 2D topological semimetal flakes. Contact resistance and resistivity were improved by factors up to 2 × 10 6 and 2 × 10 4 , respectively, in devices based on exfoliated flakes of two topological semimetals, ZrSiSe and BaMnSb 2 . Using this method, carrier mobility in ZrSiSe was improved by a factor of 3800, resulting in observation of record-high mobility for exfoliated ZrSiSe. Quantum oscillations in annealed ZrSiSe appeared at magnetic fields as low as 5 T, and magnetoresistance increased by a factor of 10 4 . We argue that a thermal process underlies this improvement. Finally, Raman spectroscopy and analysis of quantum oscillations in ZrSiSe indicate that the phonon modes and Fermi surface area are unchanged by current annealing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Partial discharge suppression in high voltage solid-state devices

Devices, methods and techniques are disclosed to suppress electrical discharge and breakdown in insulating or encapsulation material(s) applied to solid-state devices. In one example aspect, a multi-layer encapsulation film includes a first layer of a first dielectric material and a second layer of a second dielectric material. An interface between the first layer and the second layer is configured to include molecular bonds to prevent charge carriers from crossing between the first layer and the second layer. The multi-layer encapsulation configuration is structured to allow an electrical contact and a substrate of the solid-state device to be at least partially surrounded by the multi-layer encapsulation configuration.

Sampayan, Stephen↗

DOE OSTI2024

Partial discharge suppression in high voltage solid-state devices

Sampayan, Stephen↗

NASA NTRS1979

Preflight status of the External Tank portion of the Space Shuttle Main Propulsion System

The development progress of the External Tank (ET) of the Shuttle Main Propulsion System (MPS) is described. 87% of ET propulsion components have satisfactorily completed qualification tests in preparation for the first Shuttle flight and their performance has been verified in the Main Propulsion Test Article (MPTA) firings of up to 100 seconds duration. The design changes in the LH2 tank pressurant diffuser, the LO2 feed system, and the ground test LO2 tank are discussed. Propellant loading information from MPTA tests may be used to predict loading operations and performance at KSC and VAFB, while ullage pressure profiles and boil-off rates during loading, chilldown rates, and final bulk density data have been obtained with geyser suppression evaluated and loading procedures established and verified. The MPTA test experience provided data to evaluate pressurization system and ET to Orbiter interface propellant performance noting thus that the fluid interface requirements will be satisfied for the first Shuttle flight. The Intertank inerting system was found to be effective in minimizing hazardous gas mixtures and full scale separation tests of the ET to Ground Umbilical Carrier Plate system were successfully completed.

Norquist, L.↗

NASA NTRS1989

Highly coherent long cavity GaAs/AlGaAs single-quantum-well lasers

The spectral properties of ridge-waveguide graded-index separate-confinement heterostructure single-quantum-well (SQW) GaAs/AlGaAs lasers are measured. Long-cavity lasers (800 microns) exhibit remarkably pure CW single-longitudinal-mode spectra in spite of the short cavity mode spacing. At output power 5 mW, the sidemode suppression exceeds 24 dB and the linewidth is 1.5 MHz. The linewidth-power product (LPP) is 6.4 MHz mW. Measurements of LPP as a function of cavity length L gives a 1/L-squared dependence, in agreement with theory. The results are used to deduce the linewidth enhancement factor alpha at the gain peak wavelength and its dependence on the excitation level. The sublinear gain-carrier density relation in the SQW results in an increase in alpha with increasing carrier density (decreasing cavity length). A decrease in alpha was observed for lasers operating at the second quantized state due to a recovery of the differential gain.

Larsson, Anders↗

DOE OSTI2024

Kinetic Control over Disproportionation Stabilizes Wurster’s Blue Catholyte for Nonaqueous Redox Flow Batteries

Redoxmers are organic molecules that serve as charge carriers in redox flow batteries. While these materials are affordable and easy to source, insufficient stability of their charged states (radical ions) remains a challenge. A common reaction of these species is their disproportionation. Furthermore, this reversible reaction yields unstable multiply charged states, shifting the overall charge transfer equilibrium toward the decomposition products. Here we show how kinetic controls can be engineered into a redoxmer molecule to suppress these unwanted charge transfer reactions. This approach is used to transform Wurster's blue, which is historically the first example of a stable radical ion in organic chemistry, into an exceptionally durable redoxmer molecule that persists over thousands of electrochemical cycles.

Cations↗

NASA NTRS1993

Feasibility study of an orbiting laboratory for testing CSI technology

A concept for an orbiting laboratory for testing Controls-Structures Integration (CSI) technology is described. The CSI-Star concept reflects a lower cost, higher risk approach. The concept supports demonstration and validation testing for critical CSI technologies at a cost of $20M to $26M with a 1-year reliability of approximately 0.9. The Ball Aerospace QuickStar bus is the carrier for the CSI test article. QuickStar is launched as a secondary payload on the McDonnell Douglas Delta 2. The QuickStar/Delta 2 approach is flight proven. The CSI test article is a 20 foot, 1 Hz, truss beam which is deployed from the QuickStar bus. The test article is well instrumented for quality system identification. The laboratory provides three layers of active control consisting of global vibration suppression along the truss beam, vibration isolation between the beam and instrument platforms, and vibration compensation through the use of gimbaled platforms which point lasers relative to optical sensor targets. The configuration simulates the dynamics of multi-instrument science platforms such as those of the Earth Observation System (EOS) while maintaining strong ties to astrophysics missions such as the Optical Interferometer. Uplink/downlink services and a reprogrammable computer provide flexibility for long-term investigations by members of the CSI community (NASA, DoD, academia, and industry). CSI-Star fills the gap between short-term experiments, which have been conducted primarily on the Shuttle, and future science missions which require the technology. The on-orbit maturity of CSI technology must be established to obtain acceptance by project managers and to promote injection of the technology into future science missions.

Bicos, Andrew S.↗

DOE OSTI2026

A kinetic model for simulating non-equilibrium mass transport in oxides applied to hematite growth under irradiation

We propose an approach to simulating the dynamic evolution and transport of charged point defects within and through the oxide scales that form during corrosion. The method follows the cluster dynamics formalism widely adopted for radiation damage in solids, which can apply in both quasi-static and far from equilibrium conditions, such as in radiation environments. By treating each charged defect as a cluster of an atomic defect and associated unit charges, the proposed model flexibly allows charge state transitions and shifts in the Fermi level by absorption and emission of charge carriers from point defects in a reaction network with rates constrained by local equilibrium. Applying this model to hematite predicts changes in self-diffusion and oxidation kinetics in irradiation environments, surprisingly showing reduced oxidation rates in many conditions, despite enhanced self-diffusion. In conclusion, the origin of this effect lies in a change in Fermi level induced by excess vacancies formed under irradiation, which in turn suppresses the transport of cation interstitials which facilitate hematite growth.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Weak-Bonding Elements Lead to High Thermoelectric Performance in BaSnS 3 and SrSnS 3 : A First-Principles Study

SnS2, an earth-abundant and ecofriendly material, is limited as a thermoelectric material because of the high lattice thermal conductivity κ L and low carrier mobility μ. By introducing weak-bonding elements Ba or Sr into the SnS 2 framework, we discovered two SnS 2 -based materials BaSnS3 and SrSnS3 with the calculated low κL values of 0.15 and 0.17 W m -1 K -1 , respectively, along the a-axis. The low group velocity and high lattice anharmonicity originating from the weakened and distorted Sn–S bonding network are found in both systems. Moreover, the vibrations of Ba and Sr induce low-lying optical phonons, which strongly couple with the acoustic phonons and strengthen the phonon scattering rates. Compared to SnS 2 , both compounds present lower single-band effective masses, smaller deformation potential constants, and better band convergence, which enhance μ with an insignificantly reduced effective mass. By solving the linearized Boltzmann transport equation with a nonempirical carrier lifetime, we predict excellent ZT values of 2.89 and 2.77 along the a-axis at 900 K in BaSnS 3 and SrSnS 3 , respectively. Further phase diagram calculations of Ba 1–x Sr x SnS 3 solid solutions propose a new compound, Ba 0.5 Sr 0.5 SnS 3 , with an even higher ZT of 3.0. Our work analyzes explicitly how weak-bonding elements enhance μ and suppress κL simultaneously in SnS 2 -analogous systems with a series of compounds nominated as potential high-performance thermoelectric materials.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Photoelectron Spectroscopic Determination of the Interfacial Energetics of Metal Oxide Protection Layers on p-InP Photocathodes

The interfacial energetics between p-type InP and a series of metal oxides, including TiO 2 , Nb 2 O 5 , Ta 2 O 5 , and HfO 2 , were evaluated using X-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), and optical absorption spectroscopy. The energy of the conduction-band minimum ( E cb ) of TiO 2 and Nb 2 O 5 was more negative (i.e., further from the vacuum level) than the conduction-band minimum at the surface of InP ( E cb,s ), whereas E cb for Ta 2 O 5 and HfO 2 was more positive than E cb,s for InP. The data are consistent with the electrochemical behavior of p-InP coated with various metal oxide candidate protection layers, with TiO 2 and Nb 2 O 5 facilitating interfacial transfer of photogenerated minority-carrier electrons in p-InP photocathodes, and Ta 2 O 5 and HfO 2 blocking photogenerated electrons in p-InP from readily transferring across the oxide-coated photocathodes. The energy of the valence-band maximum ( E vb ) for all of the oxides was much more negative than E vb,s for InP, consistent with observations that these protection layers effectively block hole transport and consequently suppress oxidative degradation of the underlying p-InP photocathodes.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

DOE OSTI2023

Control of Host-Matrix Morphology Enables Efficient Deep-Blue Organic Light-Emitting Devices

Mixing a sterically bulky, electron-transporting host material into a conventional single host–guest emissive layer is demonstrated to suppress phase separation of the host matrix while increasing the efficiency and operational lifetime of deep-blue phosphorescent organic light-emitting diodes (PHOLEDs) with chromaticity coordinates of (0.14, 0.15). Here, the bulky host enables homogenous mixing of the molecules comprising the emissive layer while suppressing single host aggregation; a significant loss channel of nonradiative recombination. By controlling the amorphous phase of the host-matrix morphology, the mixed-host device achieves a significant reduction in nonradiative exciton decay, resulting in 120 ± 6% increase in external quantum efficiency relative to an analogous, single-host device. In contrast to single host PHOLEDs where electrons are transported by the host and holes by the dopants, both charge carriers are conducted by the mixed host, reducing the probability of exciton annihilation, thereby doubling of the deep-blue PHOLED operational lifetime. These findings demonstrate that the host matrix morphology affects almost every aspect of PHOLED performance.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Improving Efficiency and Stability of Perovskite Solar Cells Enabled by A Near-Infrared-Absorbing Moisture Barrier

Simultaneously improving device efficiency and stability is the most important issue in perovskite solar cell (PSC) research. Here, we strategically introduce a multi-functional interface layer (MFIL) with integrated roles of: (1) electron transport, (2) moisture barrier, (3) near-infrared photocurrent enhancement, (4) trap passivation, and (5) ion migration suppression to enhance the device performance. The narrow-band-gap non-fullerene acceptor, Y6, was screened out to replace the most commonly used PCBM in the inverted PSCs. A significantly improved power conversion efficiency of 21.0% was achieved, along with a remarkable stability (up to 1,700 h) without encapsulation under various external stimuli (light, heat, and moisture). Furthermore, systematic studies of the molecular orientation or passivation and the charge carrier dynamics at the interface between perovskite and MFIL were presented. These results offer deep insights for designing advanced interlayers and establish the correlations between molecular orientation, interface molecular bonding, trap state density, non-radiation recombination, and the device performance.

14 SOLAR ENERGY↗

DOE OSTI2026

Gallium Arsenide Semiconductor Opening Switches: Enabling Nanosecond High Powering Pulsed Systems

The goal of this work awas to investigate design manufacturing semiconductor opening switches (SOS) in both silicon and gallium arsenide (GaAs). Solid-state opening switches are critical components for pulsed power systems and applications in directed energy, dielectric wall accelerators, and novel semiconductor manufacturing techniques. Under this funding, we have developed silicon SOS designs that suppresses an unwanted prepulse, increases the peak output voltage by about 10 percent, and reduces the pulse rise time by ~ 4x compared with more conventional profiles. Through this effort we have improved device fabrication and bonding techniques. Additionally, work on this the GaAs opening switch has defined a unique application space that these devices are suited for. GaAs opening switches have short risetimes and pulse widths compared to silicon devices, however the short carrier lifetime of GaAs makes the circuit design more challenging than in silicon. For high PRF operation, the lifetime of the GaAs is an advantage compared to silicon. TCAD simulations of GaAs devices have been used to optimize a GaAs profile. Additionally, we have designed pulsers with sub 50ns reserve pump times and tested GaAs COTs PIN diodes in them.

42 ENGINEERING↗

DOE OSTI2025

Chemical Redox Agent-Driven Noncorrosive Formation of Nanoporous Mg Structures for Advanced Hydrogen Storage

Light metal-based nanomaterials are widely used for energy storage due to their high energy density and surface-to-volume ratio. However, their high reactivity is paradoxically both the source of advantageous properties and a hurdle to the fabrication of stable nanostructures. Here, in this study, we demonstrate the formation of nanoporous Mg via chemical redox agent-driven dealloying, which ensures minimized surface passivation and results in fine nanostructures with <50 nm of interconnected metallic ligament despite the labile chemical properties of Mg. The thin passivation layer protects the metallic ligaments from severe coarsening by suppressing surface diffusion. The hydrogen storage performance of nanoporous Mg is investigated as an exemplar for energy applications, and the hydrogen ab/desorption kinetics is substantially enhanced compared to other nano-Mg with similar dimensions. Mesoscale simulations highlight the significance of the bicontinuous structure compared to the particle-like counterpart. This work offers valuable insights into the unexplored realm of reactive metal-based nanoporous structures, highlighting their potential for sustainable energy storage and carrier media.

08 HYDROGEN↗

DOE OSTI2022

Magnetic and transport properties of Fe-doped Weyl semimetal Co 3 Sn 2 S 2

Ferromagnetic Weyl semimetal Co 3 Sn 2 S 2 has recently attracted a lot of interest on account of its large non-saturating magnetoresistance and the high carrier mobility common to topological semimetals. Moreover, the material also provides a platform for studying the interplay between the intrinsic magnetism and topological band structures, which generates a significant anomalous Hall effect. Chemical doping is the usual approach to adjust materials’ properties, and it can lead to fascinating results. Here, we present the influence of Fe-doping on the magnetic and transport properties of polycrystalline Co 3 Sn 2 S 2 . The Fe-doping suppresses the sample’s magnetic order, increases the electrical resistivity, results in a skew-scattering contribution to the anomalous Hall effect and Fe impurities cause the Kondo effect. In addition, we report on the impact of Fe-doping on the magnetoresistance of Co 3 Sn 2 S 2 , where Fe-doping leads to a dramatic decline in magnetoresistance. Furthermore, the hysteresis behavior in the low magnetic field region, detected previously in nanoflake samples only, is observed in both pure and Fe-doped Co 3 Sn 2 S 2 bulk samples. Finally, our findings serve as a reference and source of inspiration for future chemical doping research on topological semimetals.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Overcoming Barriers in Electrochemical Toluene Hydrogenation for Efficient Hydrogen Storage by Pt 3 Au Alloy Catalysts

Hydrogen storage and transportation are essential for the hydrogen economy, and liquid organic hydrogen carriers (LOHCs), such as a toluene/methylcyclohexane (TOL/MCH) system, offer significant advantages in terms of safety and efficiency. However, the electrochemical reduction of TOL to MCH (TER) faces challenges from competing with the hydrogen evolution reaction (HER) and catalyst instability. Here, in this study, Pt 3 Au is introduced as a highly effective catalyst for TER. Through density functional theory screening, we identified distinctive properties of Pt 3 Au, including enhanced binding to the TER intermediates and effective HER suppression. Experimental validation confirmed these computational predictions, with Pt 3 Au achieving the highest reported Faradaic efficiency (98%) in proton exchange membrane systems. Moreover, long-term testing demonstrated that Pt 3 Au maintained Faradaic efficiencies of >90% over 9 h, highlighting its robustness and operational stability. By integrating computational modeling and experimental evaluation, this work addresses key limitations in LOHC catalysis. Pt 3 Au establishes a benchmark for selective and stable TER performance, paving the way for advanced hydrogen storage technologies. These findings emphasize the critical role of rational catalyst design in overcoming the challenges associated with scalable and efficient hydrogen storage solutions.

LOHC↗

NASA NTRS1980

Transverse injection of a particle-laden liquid jet in supersonic flow: A three-phase flow

The results of a two part study of the behavior of particle laden liquid jets injected into air are presented. Water was used as the liquid carrier and either 1-37 or 13-44 microns diam. spherical glass beads with a specific gravity of 2.8-3.0 as the particles. The observations were mainly photographic. The breakup of jets injected into still air was investigated as a function of particle loading, and the results were compared to the pure liquid jet case. The jets were found to be more stable with particles present. The length to breakup was increased, and the formation of satellite droplets was suppressed. The penetration and breakup of transverse jets in a Mach 3.0 air stream was studied. The general breakup mechanism of wave formation was found to be the same as for the all liquid case. Significant separation of the phases was observed, and the penetration of the liquid phase was reduced compared to all liquid cases at the same value of the jet to free stream momentum flux ratio.

Schetz, J. A.↗

DOE OSTI2023

Charge correlations suppress unconventional pairing in the Holstein model

In a recent work by Schrodi et al. [Phys. Rev. B. 104, L140506 (2021)], the authors find an unconventional superconducting state with a sign-changing order parameter using the Migdal-Eliashberg theory, including the first vertex correction. This unconventional solution arises despite using an isotropic bare electron-phonon coupling in the Hamiltonian. We examine this claim using hybrid quantum Monte Carlo for a single-band Holstein model with a cuprate-like noninteracting band structure and identical parameters to Schrodi et al.. Our Monte Carlo results for these parameters suggest that unconventional pairing correlations do not exceed their noninteracting values at any carrier concentration we have checked. Instead, strong charge-density-wave correlations persist at the lowest accessible temperatures for dilute and nearly half-filled bands. As a result, we present arguments for how vertex-corrected Migdal-Eliashberg calculation schemes can lead to uncontrolled results in the presence of Fermi surface nesting.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗