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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Simulated thermonuclear performance of auto-magnetizing helical liner MagLIF target implosions

Magnetized liner inertial fusion (MagLIF) implosions on the Z accelerator require magnetization of the fuel to reduce thermal conduction losses of energy from the laser-preheated deuterium fusion fuel to the surrounding liner material. While external field coils traditionally used to axially magnetize MagLIF targets are limited to 10–20 T (or perhaps ∼ 30 T with technological development), calculations suggest that higher axial magnetic fields would improve thermal insulation of the fuel and improve MagLIF target performance. We present results from three-dimensional radiation-magnetohydrodynamic simulations of MagLIF implosions employing auto-magnetizing helical liners composed of discrete metallic helical conduction paths separated by electrically insulating material. These simulated auto-magnetizing (AutoMag) liners produce axial magnetic fields >30 T inside the fusion fuel prior to implosion. Simulations indicate that higher thermonuclear yields and burn-averaged fuel ion temperatures are attained for implosions using AutoMag liners compared to standard MagLIF implosions. Comparable implosion morphology is evident in synthetic x-ray images of AutoMag–MagLIF and standard MagLIF implosions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

2024 roadmap on 2D topological insulators

Abstract 2D topological insulators promise novel approaches towards electronic, spintronic, and quantum device applications. This is owing to unique features of their electronic band structure, in which bulk-boundary correspondences enforces the existence of 1D spin–momentum locked metallic edge states—both helical and chiral—surrounding an electrically insulating bulk. Forty years since the first discoveries of topological phases in condensed matter, the abstract concept of band topology has sprung into realization with several materials now available in which sizable bulk energy gaps—up to a few hundred meV—promise to enable topology for applications even at room-temperature. Further, the possibility of combining 2D TIs in heterostructures with functional materials such as multiferroics, ferromagnets, and superconductors, vastly extends the range of applicability beyond their intrinsic properties. While 2D TIs remain a unique testbed for questions of fundamental condensed matter physics, proposals seek to control the topologically protected bulk or boundary states electrically, or even induce topological phase transitions to engender switching functionality. Induction of superconducting pairing in 2D TIs strives to realize non-Abelian quasiparticles, promising avenues towards fault-tolerant topological quantum computing. This roadmap aims to present a status update of the field, reviewing recent advances and remaining challenges in theoretical understanding, materials synthesis, physical characterization and, ultimately, device perspectives.

Weber, Bent (ORCID:000000018586127X)↗
DOE OSTI2020

Beryllium Oxide (BeO) Handbook

Beryllium oxide (BeO) is an oxide ceramic material. BeO ceramics provide thermal conductivity second only to diamond among electrically insulating materials, dissipating nearly 300 W/mK at room temperature. This property leads to electronic applications for BeO. BeO has a thermal expansion coefficient intermediate between gallium arsenide and refractory metal composites. Its low dielectric constant (6.7) and low loss index (0.0012 at 1 MHz) permits electrical circuit performance at high frequencies. It is employed as a window material for high frequency microwave applications. BeO is very stable under oxidizing and reducing high temperature and high humidity environments, unlike nitrides which will decompose to their oxide equivalent. Similar to beryllium metal, BeO acts as a scatterer of neutrons and is used as a neutron moderator material in nuclear reactor applications. The largest use of BeO is as the raw material for the manufacture of beryllium-copper alloys, followed closely as the raw material for conversion to beryllium metal. Most of the research performed on BeO was conducted in the 1960’s and 1970’s. 75% of the references cited in this Handbook are from the time period 1960-1980. Up to 1995, there were three commercial sources of BeO: Materion Corporation, Eagle-Picher, and Ceradyne Corporation. However, since 1995 Eagle-Picher and Ceradyne no longer supply BeO commercial products. Thus, the only current commercial source of BeO materials is Materion Corporation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Experimental and analytical study of the hydrodynamic and single and two-phase convective heat transfer performance of flexible PDMS microchannels with micropillar arrays

Various copper and silicon based thermal management systems are used in the cooling of electronics. However, the rigid nature of these materials along with their high thermal and electrical conductivity pose a difficulty in developing direct contact embedded flexible cooling systems that can offer robust cooling performance. The low density, thermal stability, chemical inertness, and electrical insulation of Polydimethylsiloxane (PDMS) make it an ideal material to develop lightweight direct contact thermal management systems for electronics. Its ease of fabrication with tunable flexibility provides the opportunity to go beyond traditional electronics and develop advanced active and passive thermal management systems for a wide–range of applications in foldable and wearable electronics, liquid cooling garments, microgravity, and electric motors. In this study, a flexible PDMS based microchannel with micropillar arrays, which enhance the thermal performance of the device through capillary-assisted flow, has been developed. The hydrodynamic and convection heat transfer performance of three PDMS wick pillar geometries, ranging from a porosity of 0.8–0.91, are investigated and compared under single-phase and two-phase conditions. Dielectric coolant FC-3283 is employed and permeability measurements are made for mass fluxes ranging from 53 kg/m 2 s to 369 kg/m 2 s. Given its conformability, the device demonstrates a deviation from Darcy’s Law, within the laminar regime, with an increasing permeability with mass flux at the rate of ~0.5–0.8 Darcy/(kg/m 2 s). A semi-analytical model has been developed and reported to quantify the conformability of the device. The heat transfer performance is experimentally evaluated using the same dielectric fluid for mass flux ranging from 105 kg/m 2 s to 420 kg/m 2 s with heat fluxes ranging from 1.5 W/cm 2 to 16 W/cm 2 . Heat transfer coefficients of up to 7000 W/m 2 K are observed, which are comparable to copper and silicon microchannels. The effect of porosity on the single phase thermal performance has been evaluated against the pumping power to provide a basis for thermal management system design. Finally, high-speed imaging is performed to study the two-phase flow characteristics to provide insight into the vapor formation and removal.

42 ENGINEERING↗
DOE OSTI2025

Low Cost High-Performance HRE-Free 3-in-1 Electric Drive Unit

The project team completed work to expand upon American Axle & Manufacturing’s (AAM) baseline technology and develop a high-speed, AC induction electric drive unit (EDU) with total direct-oil-cooling and integrated power electronics. The project accelerated advancements in EDU technology by allowing AAM to build upon the progress made in developing the underlying baseline technologies. The following seven improvements to AAM’s baseline technology were implemented in this research and development program: 1) Increased speed (30k RPM) AC induction motor, 2) Silver-sintering of discrete silicon carbide (SiC) metal-oxide-semiconductor field-effect transistors (MOSFET) to heat sinks, 3) Electrically insulated rotor bars, 4) Optimized lamination steel, 5) EDU-integrated 650VDC inverter package, 6) Over-molded stator with molded liners, and 7) 650VDC power-dense stator design. The successful development of the technology resulted in a meaningful cost reduction for EDU systems in the market. Coupled with falling battery system costs, lower EDU costs will likely accelerate the market acceptance and related production scaling of battery electric vehicles. The objective of this project was to research, develop, and test a Heavy Rare Earth (HRE)-free 3-In-1 electric drive unit (EDU) that has class leading power density and cost. The key technologies to be developed were anticipated to meet or exceed the Department of Energy (DOE) targets of a cost ≤ $\$$7/kilowatt (kW), power density ≥ 12 kW/liter, and operating voltage ≥ 600 VDC.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Insulating Nanofluids and Solids to Upgrade our Large Aging Transformer Equipment (Advanced Research Projects Agency – Energy Research Final Report)

This project developed a highly promising, minimally invasive pathway for transformers with up to double the thermal life that is achieved today. Thermal life is important because it is occasionally necessary to overload transformers in service and this overload raises the internal temperature, accelerating aging2. A seminal initial finding in the research was that a likely achievable increase in the thermal conductivity of the transformer paper could double the thermal life. Oil-impregnated paper is used to wrap the electrical conductors in a transformer to provide a good balance of electrical insulation and thermal conductivity. The novel approach to increase the thermal conductivity was to add micrometer boron nitride particles to the paper during manufacturing. This is encouraging because it provides benefits with minimal impact on the manufacturing processes of the paper or of a transformer.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Melt-grown semi-insulating Mn:β-Ga 2 O 3 single crystals exhibiting unique visible absorptions and luminescence

In this study, several acceptor dopants have been explored in β-Ga 2 O 3 to produce semi-insulating substrates and epitaxial films. Fe and Mg make up the majority of research thus far; however, other transition metals provide potential alternatives for optimized performance. β-Ga 2 O 3 bulk single crystals were grown by the Czochralski and vertical gradient freeze methods with a nominal dopant concentration of 0.25 at. % Mn. Ultraviolet-visible-near infrared spectroscopy and photoluminescence revealed polarization- and orientation-dependent optical absorptions (pleochroism) coupled with an orange luminescence. All samples were electrically insulating, on the order of 10 9 –10 11 ohm cm at room temperature, indicative of acceptor doping. Actual dopant concentrations of the intentionally doped transition metal and background impurities were determined via glow discharge mass spectrometry, indicating the macroscale segregation behavior. High-temperature resistivity measurements indicated an experimental acceptor level of 1.7 ± 0.2 eV. Hydrogenation of samples resulted in an increase in the orange luminescence and O–H stretching modes observable in the infrared spectrum. Density functional theory calculations were performed to determine the likely site-occupancy and acceptor level of Mn in the bandgap.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Decomposition characteristics of C4F7N-based SF6-alternative gas mixtures

C4F7N [2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanenitrile]/CO2 gas mixtures are being developed as an eco-friendly electrical insulator to replace SF6, the most potent greenhouse industrial gaseous dielectric. However, recent studies have reported complicated and often conflicting decomposition pathways for C4F7N/CO2 gas mixtures, which has raised concerns. In this work, the decomposition characteristics of C4F7N/CO2 gas mixtures were studied comprehensively by both designed computations and experiments. Computations were performed starting from fundamental propositions of C4F7N/CO2 decompositions, which were further experimentally verified by pyrolysis, long-term thermal aging with/without catalytic materials (industrial-grade molecular sieves 4A), and electrical decomposition by spark discharge. The results of both computations and experiments suggest that in an ideal thermal decomposition, C4F7N is likely to decompose into C2F6 and small fluoronitriles first at high temperatures. The generation of C3F6 and C2N2 from C4F7N thermal decomposition at lower temperatures appears because of the catalytic effect of incompatible materials, for example, the industrial-grade molecular sieves 4A that we tested. The electron impact dissociation of C4F7N plays an important role in C4F7N electrical decomposition, leading to additional formation of distinctive small molecules of CF4 and C2N2 of low concentrations. It was pointed out based on a real arcing test in a load disconnector that the decomposition of C4F7N gas mixtures in real applications will be at a much moderate and manageable rate than what was obtained from the highly accelerated laboratory tests presented in this work. The signatures of decomposition products extracted in this study provide invaluable guidance for developing decomposition-based diagnosis and fixation of decomposition byproducts toward SF6-free power grids.

Physics↗
DOE OSTI2021

Application-driven synthesis and characterization of hexagonal boron nitride deposited on metals and carbon nanotubes

Hexagonal boron nitride (h-BN) is unique among two-dimensional materials, with a large band gap (~6 eV) and high in-plane thermal conductivity (>400 W m -1 K -1 ), second only to diamond among electrical insulators. Many studies to date have relied on exfoliated h-BN, however, for large-scale applications the material must be synthesized by methods such as chemical vapor deposition (CVD). Here, we first investigate single-layer h-BN synthesized by CVD on single crystal platinum (Pt), comparing these films with h-BN deposited on more commonly used polycrystalline Pt and Cu. The h-BN film grown on single crystal Pt has the lowest surface roughness and best spatial homogeneity, and our electrochemical transfer process allows the Pt to be reused with no measurable degradation. Additionally, we also demonstrate direct capping of carbon nanotubes (CNTs) with as-grown h-BN, but we find that the direct growth partly degrades the CNT electrical conductivity. On the other hand, we show that transferred monolayer h-BN can serve as an ultrathin barrier which protects MoS2 from damage at high temperatures and discuss other applications that take advantage of the conformal h-BN deposition.

2D materials↗
DOE OSTI2025

Electronic structure of the honeycomb iridate Cu 2 ⁢IrO 3 at high pressure

Cu 2 IrO 3 has attracted recent interest due to its proximity to the Kitaev quantum spin liquid state and the complex structural response observed at high pressures. We use x-ray spectroscopy and scattering as well as electrical transport techniques to unveil the electronic structure of Cu 2 IrO 3 at ambient and high pressures. Despite featuring a Ir 4+ J eff = 1/2 state at ambient pressure, Ir L 3 -edge resonant inelastic x-ray scattering reveals broadened electronic excitations that point to the importance of Ir 5d-Cu 3d interaction. High pressure first drives an Ir-Ir dimer state with collapsed < L · S > and < L z >/< S z >, signaling the formation of 5d molecular orbitals. A novel Cu → Ir charge transfer is observed above 30 GPa at low temperatures, leading to an approximate Ir 3+ and Cu 1.5+ valence, with persistent insulating electrical transport seemingly driven by charge segregation of Cu 1+ /Cu 2+ ions into distinct sites. Concomitant x-ray spectroscopy and diffraction measurements through different thermodynamic paths demonstrate a strong electron-lattice coupling, with J eff = 1/2 and Ir 3+ /Cu 1.5+ electronic states occurring only in phases 1 and 5, respectively. Remarkably, the charge-transfer state can only be reached if Cu 2 IrO 3 is pressurized at low temperature, suggesting that phonons play an important role in the inhibiting this phase. Furthermore, these results point to the choice of thermodynamic path across interplanar collapse transition as a key parameter to access novel states in intercalated iridates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Flexible all-organic nanocomposite films interlayered with in situ synthesized covalent organic frameworks for electrostatic energy storage

Poly(vinylidene fluoride)-based terpolymers, known for having the largest dielectric constant among the existing dielectric polymers, are attractive materials for electrostatic film capacitors used in lightweight electrification systems. However, the potential of these terpolymers in film capacitor applications remains constrained by their low electrical insulating and mechanical strengths. To address these limitations, we introduced rigid covalent organic framework (COF) nanospheres into the thin films of soft terpolymers via in situ synthesis and a facile layer-by-layer solution casting method, whereby multilayer films consisting of two polymer outer layers and a COF-containing middle layer were readily obtained. The resultant all-organic thin films exhibit simultaneously high dielectric constant, enhanced breakdown strength, superior energy density (~25 J cm –3 ) at efficiencies over 80%, along with greatly improved mechanical self-supporting capability and excellent mechanical flexibility. Here, this work demonstrates the unprecedented use of COF for electrostatic energy storage, uncovering its potential for flexible electronic applications operating under high electric fields.

25 ENERGY STORAGE↗
DOE OSTI2022

Critical role of magnetic moments in heavy-fermion materials: Revisiting mysteries of SmB 6

Heavy-fermion family exhibits fascinating and often puzzling properties due to the presence of open-shell f ions and the complexity of the associated charge, orbital, and spin degrees of freedom. SmB 6 is a prototypical heavy-fermion compound that is electrically insulating but yet it displays quantum oscillations, which are a telltale signature of the metallic state. Adding to the enigma is the possibility that SmB 6 is a topological Kondo insulator. Here, by treating the spin degree of freedom on an equal footing with other degrees of freedom using the parameter-free strongly-constrained and appropriately-normed (SCAN) density functional, we explore the ground-state electronic structure of SmB6. A number of competing magnetic phases lying very closely in energy are found, indicating the key role of spin fluctuations in the material. The computed band structure, crystal-field splittings in the f-electron complex, the heavy effective electron mass at the Fermi energy, and the large specific heat are all in good agreement with the corresponding experimental results. In particular, our predicted FS explains the experimentally observed bulk quantum oscillations as well as the low electrical conductivity of SmB 6 . The topological Kondo state of SmB6 is shown to be robust regardless of its magnetic configuration. The excellent performance of SCAN in heavy-fermion systems is explained in terms of its ability to treat self-interaction errors and symmetry breaking within the framework of the density functional theory. Our study provides a new approach for modeling heavy-fermion materials

36 MATERIALS SCIENCE↗
DOE OSTI2020

High frequency atomic tunneling yields ultralow and glass-like thermal conductivity in chalcogenide single crystals

Crystalline solids exhibiting glass-like thermal conductivity have attracted substantial attention both for fundamental interest and applications such as thermoelectrics. In most crystals, the competition of phonon scattering by anharmonic interactions and crystalline imperfections leads to a non-monotonic trend of thermal conductivity with temperature. Defect-free crystals that exhibit the glassy trend of low thermal conductivity with a monotonic increase with temperature are desirable because they are intrinsically thermally insulating while retaining useful properties of perfect crystals. However, this behavior is rare, and its microscopic origin remains unclear. Here, we report the observation of ultralow and glass-like thermal conductivity in a hexagonal perovskite chalcogenide single crystal, BaTiS 3 , despite its highly symmetric and simple primitive cell. Elastic and inelastic scattering measurements reveal the quantum mechanical origin of this unusual trend. A two-level atomic tunneling system exists in a shallow double-well potential of the Ti atom and is of sufficiently high frequency to scatter heat-carrying phonons up to room temperature. While atomic tunneling has been invoked to explain the low-temperature thermal conductivity of solids for decades, our study establishes the presence of sub-THz frequency tunneling systems even in high-quality, electrically insulating single crystals, leading to anomalous transport properties well above cryogenic temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Study of Polycrystalline Bulk Sr 3 OsO 6 Double-Perovskite Insulator: Comparison with 1000 K Ferromagnetic Epitaxial Films

Polycrystalline Sr 3 OsO 6 , which is an ordered double-perovskite insulator, is synthesized via solid-state reaction under high-temperature and high-pressure conditions of 1200 ° C and 6 GPa. The synthesis enables us to conduct a comparative study of the bulk form of Sr3OsO6 toward revealing the driving mechanism of 1000 K ferromagnetism, which has recently been discovered for epitaxially grown Sr 3 OsO 6 films. Unlike the film, the bulk is dominated by antiferromagnetism rather than ferromagnetism. Thus, robust ferromagnetic order appears only when Sr 3 OsO 6 is under the influence of interfaces. A specific heat capacity of 39.6(9) X 10 -3 J mol -1 K -2 is found at low temperatures (<17 K). This value is remarkably high, suggesting the presence of possible Fermionic-like excitations at the magnetic ground state. While the bulk and film forms of Sr 3 OsO 6 share the same lattice basis and electrically insulating state, the magnetism is entirely different between them.

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

MAGNETICALLY SUSPENDED CANNED ROTOR PUMPS FOR THE INTEGRAL MOLTEN SALT REACTOR

This project developed a molten salt pump design for small modular reactors, concentrated solar, and Gen IV nuclear reactors with a magnetically levitated rotor that can operate at temperatures of up to 700 °C. This eliminates the need for rotating seals and roller element bearings which require maintenance and are prone to failure. The pump design is also more compact than existing molten salt pump designs which require long shafts to thermally isolate the electric motor. The aims of the project are to: 1) design and test the molten salt pump, 2) develop and test a high temperature position sensor needed for magnetic bearing control, and 3) develop and test high temperature coil fabrication methods for electric motor and magnetic bearing fabrication. To develop the high temperature coils, conductor materials were analyzed for oxidation, diffusion, cladding, and resistivity. Of the candidate conductor materials that met the requirements, silver was chosen. The long-term impact of radiation on silver resistivity was analyzed by developing a model of a generic molten salt fast reactor to model the conductor irradiation in worst case scenarios. The analysis showed that increased resistivity due to transmutation of silver decreases exponentially with the reactor reflector thickness. Different electrical insulation materials were tested and the final high temperature coils developed were able to withstand conductor to ground voltages up to 1800 V before insulation breakdown. Magnetic bearings require high-precision high-speed measurements of the rotor position to operate. Current commercial position sensors can only operate up to 550 °C so a novel position sensor was developed that can operate up to 800 °C. These sensors were also designed to measure the position of the metallic rotor through a thin metallic corrosion barrier that protects that coils, insulation, and magnetic cores so that the salt containment barrier does not have any penetrations. The high-temperature sensor was tested and had comparable performance to commercially available inductive position sensors. The sensor design and signal processing has led to several invention disclosures. The magnetically levitated molten salt pump design was completed and analyzed. The chloride salt test loop at Oak Ridge National Laboratory was chosen to test the pump and the pump hydraulics and power were designed for the test loop flow and pressure requirements. Classes of motor designs that do not utilize permanent magnetic were considered for the high-temperature motor. After extensive analysis of their performance, a synchronous reluctance motor was chosen for the pump. The design was refined and analyzed to optimize performance. The magnetic bearings were designed to meet the force and frequency requirements necessary to levitate the rotor and reject disturbances from rotor imbalance, motor forces, and hydraulic forces. Compliant mounts for the position sensors were designed that would not damage the ceramic sensor components and maintain sensor alignment over a wide temperature range. A thermal hydraulic analysis of the molten salt coolant flow used to cool the rotor and stator was performed to ensure that the maximum temperature in the rotor and stator will not exceed 725 °C. The corrosion barrier and casing were designed to maintain the salt fluid boundary by using compliant features to absorb large expansion mismatches due to different coefficients of thermal expansion (CTE). Finally, the salt drain and fill systems were designed along with the pump support structure, integration with the test loop, and thermal insulation and heating. Corrosion barrier fabrication experiments were performed to assess using laser cladding to apply a sub-millimeter corrosion barrier to the surface of a Fe-Co-V magnetic core material. The cladding method showed minimal mixing between materials at their interface and withstood temperature cycling without damage to the cladding. The technology commercialization is focused on the high-temperature position sensors and there has been significant interest from the nuclear industry in utilizing these sensors along with some interest from the aerospace industry. The project also led to a research collaboration with a fusion energy industrial partner to study barriers to scaling the pump design from the kW size to the MW size. This research collaboration will also study methods to create high-temperature coils that have conductor to ground breakdown voltages above 5 kV. The successful development of high-temperature electromagnetic coils and high-temperature position sensors greatly increases the temperature limits for electromagnetic devices that don’t rely on permanent magnets. This includes electric motors, magnetic bearings, linear actuators, rotary position and velocity sensing, actuated valves, and generators to name a few. This will fill a current need in molten salt reactors, concentrated solar, and fusion energy for these critical peripheral devices needed for practical reactor designs that do not currently have commercial solutions.

Hines, J Wesley↗
DOE OSTI2023

Quantum Composites with Charge-Density-Wave Fillers

Here, a unique class of advanced materials—quantum composites based on polymers with fillers composed of a van der Waals quantum material that reveals multiple charge-density-wave quantum condensate phases—is demonstrated. Materials that exhibit quantum phenomena are typically crystalline, pure, and have few defects because disorder destroys the coherence of the electrons and phonons, leading to collapse of the quantum states. The macroscopic charge-density-wave phases of filler particles after multiple composite processing steps are successfully preserved in this work. The prepared composites display strong charge-density-wave phenomena even above room temperature. The dielectric constant experiences more than two orders of magnitude enhancement while the material maintains its electrically insulating properties, opening a venue for advanced applications in energy storage and electronics. The results present a conceptually different approach for engineering the properties of materials, extending the application domain for van der Waals materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Application of Poly(ether sulfone)‐Based Membranes in Clean Energy Technology

Abstract Poly(ether sulfone) (PES) is a kind of polymer materials with excellent electrical insulation and acid/alkali stability. PES can be operated at high temperature continuously for a long time and still maintain excellent property stability in the environments with rapidly changed temperature, namely, great thermostability. Moreover, PES has low molding shrinkage, good dimensional stability and excellent film‐forming characteristics. Compared with inorganic membranes, PES‐based membranes have lower cost, which have received more attention and wide recognition in the field of clean energy technologies in recent years, such as flow batteries, fuel cells, water treatment, and gas separation. Therefore, this review summarizes the research status and prospect of the utilization of PES‐based membranes in clean energy fields, in order to further promote their development and application.

Chemistry↗
DOE OSTI2022

Synthesis, Crystal Structure, and Physical Properties of BaSnS 2

Phase-pure BaSnS 2 , with space group P2 1 /c, is synthesized, and the structural and physical properties are investigated. We report thermal properties and optical measurements are reported for the first time. The Debye temperature and Sommerfeld coefficient are obtained from temperature-dependent heat capacity measurements, the latter indicating that BaSnS 2 is an electrical insulator. A direct bandgap of 2.4 eV is obtained from diffuse reflectance and photoluminescence spectroscopy. The findings herein lay the foundation for understanding the physical properties of this material and are part of a continuing effort to investigate previously unexplored ternary chalcogenides.

semiconductors↗