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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 OSTI2020

Large room-temperature elastocaloric effect in a bulk polycrystalline Ni-Ti-Cu-Co alloy with low isothermal stress hysteresis

Creation of high-performance advanced elastocaloric materials is essential for the execution of elastocaloric refrigeration that can be an environment-friendly and high-efficiency substitute for the widely used traditional vapor-compression cooling technology. Here we have developed a bulk polycrystalline Ni-Ti-Cu-Co shape memory alloy exhibiting large elastocaloric effect, low stress hysteresis and room temperature working temperature, all of which are of great importance to and urgently demanded for high-efficiency room-temperature elastocaloric refrigeration. This newly developed (Ni 42.5 Ti 50 Cu 7.5 ) 99 Co 1 alloy shows a large room-temperature elastocaloric effect with directly measured adiabatic temperature change up to -14.4 K during unloading. The stress hysteresis of the isothermal superelastic stress-strain curve is as low as 60 MPa when the maximum tensile strain is 2.7%. Owing to the large elastocaloric effect and low stress hysteresis, a very high coefficient of performance up to 19 is achieved on the material level. This newly developed (Ni 42.5 Ti 50 Cu 7.5 ) 99 Co 1 alloy is a robust candidate for efficient elastocaloric refrigeration. Advanced in-situ synchrotron high-energy X-ray diffraction technique was employed to reveal the phase transformation sequence and to accurately determine the crystal structure of different phases, based on which the lattice compatibility between the transforming phases was evaluated and the phase transformation strain was predicted, providing in-depth fundamental understanding of the martensitic transformation in this newly developed alloy. This work could be useful for designing high-performance elastocaloric materials for solid-state cooling applications.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Contracting cardiomyocytes in hydrophobic room-temperature ionic liquid

Highlights: Black-Right-Pointing-Pointer Biocompatible room-temperature ionic liquid was applied on beating cardiomyocyte. Black-Right-Pointing-Pointer The lifetime of beating cardiomyocytes was depended on anion functional group. Black-Right-Pointing-Pointer A longer lifetime was recorded for no functional group on alkyl chain on their anion. Black-Right-Pointing-Pointer Amino group on alkyl chain and fluorine in anion induced fatal condition changes. Black-Right-Pointing-Pointer We reported liquid electrolyte interface to stimulate cardiomyocytes. -- Abstract: Room-temperature ionic liquids (RTILs) are drawing attention as a new class of nonaqueous solvents to replace organic and aqueous solvents for chemical processes in the liquid phase at room temperature. The RTILs are notable for their characteristics of nonvolatility, extremely low vapor pressure, electric conductivity, and incombustibility. These distinguished properties of RTILs have brought attention to them in applications with biological cells and tissue in vacuum environment for scanning electron microscopy, and in microfluidic devices for micro-total analysis system (micro-TAS). Habitable RTILs could increase capability of nonaqueous micro-TAS for living cells. Some RTILs seemed to have the capability to replace water in biological applications. However, these RTILs had been applied to just supplemental additives for biocompatible test, to fixed cells as a substitute for an aqueous solution, and to simple molecules. None of RTILs in which directly soaks a living cell culture. Therefore, we demonstrated the design of RTILs for a living cell culture and a liquid electrolyte to stimulate contracting cardiomyocytes using the RTILs. We assessed the effect of RTILs on the cardiomyocytes using the beating lifetime to compare the applicability of RTILs for biological applications. Frequent spontaneous contractions of cardiomyocytes were confirmed in amino acid anion RTILs [P{sub 8,8,8,8}][Leu] and [P{sub 8,8,8,8}][Ala], phosphoric acid derivatives [P{sub 8,8,8,8}][MeO(H)PO{sub 2}], and [P{sub 8,8,8,8}][C{sub 7}CO{sub 2}]. The anion type of RTILs had influence on applicable characteristics for the contracting cardiomyocyte. This result suggested the possibility for biocompatible design of hydrophobic group RTILs to achieve biological applications with living cells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Clinical Application of In-Room Positron Emission Tomography for In Vivo Treatment Monitoring in Proton Radiation Therapy

Purpose: The purpose of this study is to evaluate the potential of using in-room positron emission tomography (PET) for treatment verification in proton therapy and for deriving suitable PET scan times. Methods and Materials: Nine patients undergoing passive scattering proton therapy underwent scanning immediately after treatment with an in-room PET scanner. The scanner was positioned next to the treatment head after treatment. The Monte Carlo (MC) method was used to reproduce PET activities for each patient. To assess the proton beam range uncertainty, we designed a novel concept in which the measured PET activity surface distal to the target at the end of range was compared with MC predictions. The repositioning of patients for the PET scan took, on average, approximately 2 minutes. The PET images were reconstructed considering varying scan times to test the scan time dependency of the method. Results: The measured PET images show overall good spatial correlations with MC predictions. Some discrepancies could be attributed to uncertainties in the local elemental composition and biological washout. For 8 patients treated with a single field, the average range differences between PET measurements and computed tomography (CT) image-based MC results were <5 mm (<3 mm for 6 of 8 patients) and root-mean-square deviations were 4 to 11 mm with PET-CT image co-registration errors of approximately 2 mm. Our results also show that a short-length PET scan of 5 minutes can yield results similar to those of a 20-minute PET scan. Conclusions: Our first clinical trials in 9 patients using an in-room PET system demonstrated its potential for in vivo treatment monitoring in proton therapy. For a quantitative range prediction with arbitrary shape of target volume, we suggest using the distal PET activity surface.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2011

Photochemical preparation of CdS hollow microspheres at room temperature and their use in visible-light photocatalysis

CdS hollow microspheres have been successfully prepared by a photochemical preparation technology at room temperature, using polystyrene latex particles as templates, CdSO{sub 4} as cadmium source and Na{sub 2}S{sub 2}O{sub 3} as both sulphur source and photo-initiator. The process involved the deposition of CdS nanoparticles on the surface of polystyrene latex particles under the irradiation of an 8 W UV lamp and the subsequent removal of the latex particles by dispersing in dichloromethane. Photochemical reactions at the sphere/solution interface should be responsible for the formation of hollow spheres. The as-prepared products were characterized by X-ray diffraction, transmission electron microscopy and scanning electron microscopy. Such hollow spheres could be used in photocatalysis and showed high photocatalytic activities in photodegradation of methyl blue (MB) in the presence of H{sub 2}O{sub 2}. The method is green, simple, universal and can be extended to prepare other sulphide and oxide hollow spheres. -- Graphical abstract: Taking polystyrene spheres dispersed in a precursor solution as templates, CdS hollow microspheres composed of nanoparticles were successfully prepared via a new photochemical route at room temperature. Display Omitted Research highlights: {yields} Photochemical method was first employed to prepare hollow microspheres. {yields} CdS hollow spheres were first prepared at room temperature using latex spheres. {yields} The polystyrene spheres used as templates were not modified with special groups. {yields}The CdS hollow microspheres showed high visible-light photocatalytic activities.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2012

Origin of room temperature d{sup 0} ferromagnetism and characteristic photoluminescence in pristine SnO{sub 2} nanowires: A correlation

Arrays of SnO{sub 2} nanowires are fabricated by employing a wet chemical template assisted sol-gel route using ordered nanoporous anodic aluminium oxide as the host. The origin of room temperature d{sup 0} ferromagnetism in pristine polycrystalline SnO{sub 2} nanowires is investigated by correlating photoluminescence and electron paramagnetic resonance (EPR) studies. It has been found that the naturally grown structural defects of oxygen vacancies namely singly ionised oxygen vacancy (V{sub O}{sup {center_dot}}) clusters induce the characteristic photoluminescence and contribute in ferromagnetism of pristine SnO{sub 2} nanowires at room temperature. The presence of the V{sub O}{sup {center_dot}} structural defects in the pure SnO{sub 2} nanowires is also assured by the EPR spectroscopy. Present study will help understand the puzzle about the unexpected magnetic phenomenon in these undoped wide band gap oxide semiconductors. Highlights: Black-Right-Pointing-Pointer SnO{sub 2} NWs are fabricated by wet chemical AAO template assisted route. Black-Right-Pointing-Pointer SnO{sub 2} NWs exhibit d{sup 0} ferromagnetism at room temperature. Black-Right-Pointing-Pointer Origin of ferromagnetism is correlated with photoluminescence and EPR studies. Black-Right-Pointing-Pointer Oxygen vacancy clusters are attributed to boost ferromagnetism in SnO{sub 2} NWs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

A novel metal-organic framework for high storage and separation of acetylene at room temperature

A novel 3D microporous metal-organic framework with NbO topology, [Cu{sub 2}(L)(H{sub 2}O){sub 2}]∙(DMF){sub 6}·(H{sub 2}O){sub 2} (ZJU-10, ZJU = Zhejiang University; H{sub 4}L =2′-hydroxy-[1,1′:4′,1″-terphenyl]-3,3″,5,5″-tetracarboxylic acid; DMF =N,N-dimethylformamide), has been synthesized and structurally characterized. With suitable pore sizes and open Cu{sup 2+} sites, ZJU-10a exhibits high BET surface area of 2392 m{sup 2}/g, as well as moderately high C{sub 2}H{sub 2} volumetric uptake capacity of 132 cm{sup 3}/cm{sup 3}. Meanwhile, ZJU-10a is a promising porous material for separation of acetylene from methane and carbon dioxide gas mixtures at room temperature. - Graphical abstract: A new NbO-type microporous metal-organic framework ZJU-10 with suitable pore size and open Cu{sup 2+} sites was synthesized to realize the strong interaction with acetylene molecules, which can separate the acetylene from methane and carbon dioxane gas mixtures at room temperature. Display Omitted - Highlights: • A novel 3D NbO-type microporous metal-organic framework ZJU-10 was solvothermally synthesized and structurally characterized. • ZJU-10a exhibits high BET surface area of 2392 m{sup 2}/g. • ZJU-10a shows a moderately high C{sub 2}H{sub 2} gravimetric (volumetric) uptake capacity of 174 (132) cm{sup 3}/g at 298 K and 1 bar. • ZJU-10a can separate acetylene from methane and carbon dioxide gas mixtures at room temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Microstructure evolution and a new mechanism of B2 phase on room temperature mechanical properties of Ti-47Al-2Cr-2Nb alloy prepared by hot isostatic pressing

Highlights: • The microstructure evolution of Ti-47Al-2Cr-2Nb alolly was investigated in detail. • The foramtion of B{sub 2} phase can be adjusted in Ti-47Al-2Cr-2Nb alloy. • A new mechanism of B{sub 2} phase on room temperature mechanical properties of Ti-47Al-2Cr-2Nb alloy was proposed. - Abstract: The formation of B{sub 2} phase was adjusted via various hot isostatic pressing processes in Ti-47Al-2Cr-2Nb alloy. The microstructure evolution and a new mechanism of B{sub 2} phase on room temperature mechanical properties was investigated by BSE, EBSD and TEM in detail. The result shows that the formation of B{sub 2} phase leads to Cr element content decrease in γ matrix phase, which results in lattice parameter increase, namely the c/a ratio of γ matrix phase. Finally, at room temperature the mechanical properties of Ti-47Al-2Cr-2Nb alloy deteriorates.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Strengthening effects and thermal stability of the ultrafine grained microstructure of a nickel base superalloy at room and elevated temperatures

Highlights: • UFG Alloy 718-5 vol.%Y{sub 2}O{sub 3} alloy is fabricated from alloy machining chips. • The kind of oxide nanoparticles is identified in Nb-rich superalloys. • High thermal stable nanoparticles and UFG microstructure is achieved. • The GB strengthening effects at 25 °C and 650 °C of UFG alloy are calculated. - Abstract: An ultrafine grained (UFG) nickel base superalloy doped with 5 vol.%Y{sub 2}O{sub 3} nanoparticles, Alloy 718-5 vol.%Y{sub 2}O{sub 3}, was fabricated by a powder metallurgy route which combines high energy mechanical milling of Alloy 718 machining chips, spark plasma sintering, hot extrusion and heat treatment, and its microstructure and mechanical properties at room temperature and 650 °C were studied. The study showed that the Y{sub 2}O{sub 3} nanoparticles reacted with Al from the base alloy and transformed to Y{sub 4}Al{sub 2}O{sub 9} nanoparticles (average diameter: 12.5 nm) which were stable during heat treatment at 970 °C (0.78T{sub m}, where T{sub m} is the solidus temperature of the alloy in K). As a result of the high thermal stability of Y{sub 4}Al{sub 2}O{sub 9} nanoparticles and their effective pinning of the grain boundaries, the UFG microstructure (average grain size: 179 nm) of the alloy was stable during heat treatment. Grain boundary and nanoparticle strengthening rendered the heat treated Alloy 718-5 vol.%Y{sub 2}O{sub 3} alloy with a notable room temperature tensile yield strength of 1870 MPa. It was demonstrated that the grain boundary strengthening effect associated with the UFG microstructure was still significant at 650 °C, but clearly decreased from its level at room temperature. The grain boundary strengthening and nanoparticle strengthening effects which are likely to be independent of test temperature sustain a reasonably high tensile yield strength of 800 MPa at 650 °C, despite the absence of γ′ and γ″ precipitates in the UFG microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Room temperature ferromagnetism in Co doped ZnO within an optimal doping level of 5%

Highlights: ► Zn{sub 1−x}Co{sub x}O ((0 ≤ x ≤ 0.1)) system synthesized by solid state reaction technique. ► Observation of room temperature ferromagnetism for 3 and 5% Co doped ZnO. ► XPS and EPMA studies predict the occurrence of segregated CoO clusters. ► Suppresses ferromagnetic ordering in higher doping percentage of Co (>5%). -- Abstract: We report on the structural, micro-structural and magnetic properties of Zn{sub 1−x}Co{sub x}O (0 ≤ x ≤ 0.1) system. Electron probe micro-structural analysis on 5% Co doped ZnO indicates the presence of segregated cobalt oxide which is also confirmed from the Co 2p core level X-ray photoelectron spectrum. The presence of oxygen defects in lower percentage of Co doped ZnO (≤5%) enhances the carrier mediated exchange interaction and thereby enhancing the room-temperature ferromagnetic behaviour. Higher doping percentage of cobalt (>5%) creates weak link between the grains and suppresses the carrier mediated exchange interaction. This is the reason why room temperature ferromagnetism is not observed in 7% and 10% Co doped ZnO.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Facile synthesis of Cu/Cu{sub x}O nanoarchitectures with adjustable phase composition for effective NO{sub x} gas sensor at room temperature

Graphical abstract: The Cu/Cu{sub x}O nanoarchitectures with 30–70 nm hollow nanospheres reduced by 3 mmol NaBH{sub 4} exhibits excellent gas-sensing property to low-concentration NO{sub x} gas at room temperature. - Highlights: • The Cu/Cu{sub x}O nanoarchitectures with hollow nanospheres are successfully synthesized. • The method is used for preparing the with Cu/Cu{sub x}O adjustable phase composition. • The C3 sample exhibites excellent gas-sensing propertie to NO{sub x} at room temperation. • The Cu/Cu{sub x}O nanoarchitectures have significant for application of gas sensor. - Abstract: The Cu/Cu{sub x}O nanoarchitectures with 30–70 nm hollow nanospheres are successfully synthesized by a facile wet chemical method. The synthesized products have been studied by X-ray powder diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and thermo gravimetric-differential scanning calorimetry (TG-DSC) analysis. The Cu/Cu{sub x}O sensors based on the nanoarchitectures are used to detect the NO{sub x} at room temperature. The results demonstrate that the obtained Cu/Cu{sub x}O nanoarchitectures reduced by 3 mmol NaBH{sub 4} exhibits excellent gas-sensing properties: low detection limit of 0.97 ppm, relatively high sensitivity, short response time, broad linear range and high selectivity. The reasons for gas-sensing activity enhancement on Cu/Cu{sub x}O nanoarchitectures are discussed. The Cu/Cu{sub x}O nanocrystalline with the hierarchical pores structure and tunable compositions have significant for application of gas sensor.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Mixed rare earth oxides derived from monazite sand as an inexpensive precursor material for room temperature magnetic refrigeration applications

Highlights: • Compound is synthesized using mixed rare earth oxide derived from monazite sand. • Rietveld refinement confirms the compound is a mixture of rare earth manganites and CeO{sub 2}. • The compound exhibits a magnetic entropy change of 3.28 J kg{sup −1} K{sup −1} under 50 kOe magnetic field at 310 K. • The compound exhibit a RCP of 120 J kg{sup −1} and ΔT{sub ad} of 2.11 K at 310 K under 50 kOe field. - Abstract: An inexpensive perovskite type (RE{sub MIX}){sub 0.67}Sr{sub 0.33}MnO{sub 3} compound is synthesized via solid state method using mixed rare earth oxide precursor derived from monazite sand. Rietveld refinement of X-ray powder diffraction patterns confirms the compound is a mixture of rare earth manganites which is the major phase and CeO{sub 2} as the secondary phase. The compound shows a second order ferromagnetic to paramagnetic transition near room temperature and exhibits a magnetic entropy change (-ΔS{sub M}) of 3.28 J kg{sup −1} K{sup −1} with a relative cooling power (RCP) of 120 J kg{sup −1} and an adiabatic temperature change (ΔT{sub ad}) of 2.11 K at 310 K under 50 kOe magnetic field. The Debye temperature of the compound is found to be 543 K and room temperature thermal conductivity is 4.26 W m{sup −1} K{sup −1}. The temperature variation of electrical resistivity shows a metal to insulator transition around 180 K, which gets shifted towards higher temperature upon the application of magnetic field. The compound shows a large value of −ΔS{sub M} and this work makes an endeavor to develop low–cost materials for the magnetic refrigeration applications near the room temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Fabrication of Co3O4/PEI-GO composites for gas-sensing applications at room temperature

Highlights: • A new controllable dispersion of Co{sub 3}O{sub 4}/PEI-GO is synthesized by hydrothermal method. • The Co{sub 3}O{sub 4}/PEI-GO displays perfect sensing performance at room temperature to NO{sub x} detection. • It shows lower detection limit of the thin film sensor down to 100 ppb in the air at room temperature. • In Situ Diffuse Reflectance Infrared Transform Spectroscopy (DRIFT) has been made to understand the adsorption of NO{sub x}. • The electronic core-shell configuration model and equivalent circuits has been establishes to explain the gas mechanism. - Abstract: In this work, highly dispersed and different morphologies of Co{sub 3}O{sub 4} on the surface of GO modified with polyethylenimine (PEI) were synthesized by hydrothermal method at different temperatures. Co{sub 3}O{sub 4}/PEI-GO exhibited better gas sensing properties for NO{sub x} gas than the pure Co{sub 3}O{sub 4} and Co{sub 3}O{sub 4}/GO. Especially, the Co{sub 3}O{sub 4}/PEI-GO composite with hydrothermal at 190 °C for 3 h showed excellent sensitive characteristics to NO{sub x} at room temperature. The cause of good gas sensing property come mainly from the synergy between Co{sub 3}O{sub 4} and graphene oxide (GO) modified with PEI, which can significantly enhance the gas sensing performance. The adsorption species of NO{sub x} on the surface of Co{sub 3}O{sub 4}/PEI-GO composite sensor was detectable by In Situ Diffuse Reflectance Infrared Transform Spectroscopy (DRIFT). The electronic core-shell configuration model has been established to illustrate the resistance change when the Co{sub 3}O{sub 4} is exposed to oxidizing gases. Hence, the Co{sub 3}O{sub 4}/PEI-GO composite materials are promising in application of detecting NO{sub x} gas sensing.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Liquid–Solid Mixtures of Ga Metal Infused with Cu Microparticles and Nanoparticles for Microscale and Nanoscale Patterning of Solid Metals at Room Temperature

This paper demonstrates and characterizes a simple ink for nanopatterning of solid metallic structures under ambient conditions by taking advantage of the low melting point of gallium and its affinity to form intermetallics with other metals. Bare copper micro- and nanoparticles readily mix with liquid gallium near room temperature to form a paste that ultimately amalgamates into a dense solid when mixed at the appropriate concentration ratios. The paste has sufficient shelf life that can be extruded from a nozzle at modest temperatures to form solid three-dimensional (3D) shapes. Additionally, the paste can be molded at room temperature to replicate feature sizes ranging from a few millimeters down to hundreds of nanometers. In situ X-ray diffraction (XRD) and thermo-mechanical analysis (TMA) data show gallium and copper readily interdiffuse to form the thermodynamically expected intermetallic phase. We describe the capabilities and limitations of a simple way to pattern solid metals in an additive fashion (syringe-based extrusion) and with high resolution (molding) at or near room temperature. Here, the use of a paste that solidifies provides a novel route for 3D printing of solid metals at ambient temperatures as well as the creation of micro- and nanostructured metallic surfaces that may be useful for optics, non-wetting surfaces, or electronic microcomponents.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Chemically Generated Liquid Sulfur Droplets at Room and Subzero Temperatures

The liquid phase of sulfur has been observed at room temperature, resulting from the electrochemical oxidation of polysulfides, a process occurring on the electrodes and influenced by the electrode materials. However, such electrode-dependent behavior of liquid sulfur has constrained its use in battery applications, driving research for alternative processes. This paper introduces an approach to generating liquid sulfur at both room and subzero temperatures through chemical reactions independent of the substrate material. We demonstrate that using a redox mediator, polysulfides can be chemically oxidized into liquid sulfur droplets in the electrolyte close to but away from the electrode. This pathway can generate liquid sulfur at room and subzero temperatures of −15 °C, 130 °C below sulfur’s melting temperature (115 °C). The chemically generated liquid sulfur further enriches the lithium–sulfur-electrolyte material systems, potentially creating opportunities for high-energy lithium–sulfur and other metal–sulfur batteries.

liquid sulfur↗
DOE OSTI2019

Ferromagnetism Near Room Temperature in the Cleavable van der Waals Crystal Fe 5 GeTe 2

Two-dimensional materials with intrinsic functionality are becoming increasingly important in exploring fundamental condensed matter science and for developing advanced technologies. Bulk crystals that can be exfoliated are particularly relevant to these pursuits as they provide the opportunity to study the role of physical dimensionality and explore device physics in highly crystalline samples and designer heterostructures in a routine manner. Magnetism is a key element in these endeavors; however, relatively few cleavable materials are magnetic and none possess magnetic order at ambient conditions. Here, we introduce Fe 5–x GeTe 2 as a cleavable material with ferromagnetic behavior at room temperature. We established intrinsic magnetic order at room temperature in bulk crystals ( = 310 K) through magnetization measurements and in exfoliated, thin flakes (T C ≈ 280 K) using the anomalous Hall effect. Our work reveals Fe 5 GeTe 2 as a prime candidate for incorporating intrinsic magnetism into functional van der Waals heterostructures and devices near room temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Enhancing Room-Temperature Hydrogen Storage Properties in Ti–V–Cr–Nb–Mo/Fe Multielement Alloys via Substitutional Tuning

Building upon previously reported high-entropy alloys (HEA) in the Ti−V−Cr−Nb−Mo/Fe compositional space, this study presents a novel bcc alloy containing 6 at. % of the earthabundant element Fe, exhibiting enhanced hydrogen storage properties at room temperature (25 °C). The optimized bcc Ti 23 V 30 Nb 10 Cr 31 Fe 6 alloy rapidly absorbs hydrogen at room temperature with a maximum gravimetric capacity of 3.4 wt % and an enthalpy of hydride formation of −34 kJ/mol H 2 . This value is among the lowest reported to date for bcc HEAs. The reversible capacity of this alloy remains stable at 2.0 wt % upon 20 absorption/desorption cycles at room temperature, which is among the highest reported values for this material class. Collectively, these advances highlight the potential of Fecontaining multielement alloys as efficient and economical candidates for next-generation hydrogen storage systems.

08 HYDROGEN↗
DOE OSTI2012

Structural Evolution of BaTiO[subscript 3] Nanocrystals Synthesized at Room Temperature

Sub-10 nm BaTiO{sub 3} nanocrystals were synthesized at room temperature via the vapor diffusion sol-gel method, and their structural evolution during nucleation and growth stages was followed using a series of techniques that probe the atomic structure on different length and time scales. Special emphasis was placed on assessing the evolution of the local symmetry and structural coherence of the resulting nanocrystals, as these are the structural bases for cooperative properties such as ferroelectricity. Although the room-temperature crystal structure of the fully grown nanocrystals appears cubic to Rietveld analysis of synchrotron X-ray diffraction data, Raman spectroscopy and pair distribution function analysis demonstrate the presence of non-centrosymmetric regions arising from the off-centering of the titanium atoms. This finding demonstrates that accounting for diffuse scattering is critical when attempting the structural characterization of nanocrystals with X-ray diffraction. The local symmetry of acentric regions present in BaTiO{sub 3} nanocrystals, particularly structural correlations within an individual unit cell and between two adjacent unit cells, is best described by a tetragonal P4mm space group. The orthorhombic Amm2 space group also provides an adequate description, suggesting both types of local symmetry can coexist at room temperature. The average magnitude of the local off-center displacements of the titanium atoms along the polar axis is comparable to that observed in bulk BaTiO{sub 3}, and their coherence length is on the order of 16 {angstrom}. The presence of local dipoles suggests that a large amount of macroscopic polarization can be achieved in nanocrystalline BaTiO{sub 3} if the coherence of their ferroelectric coupling is further increased.

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

Demonstration of Energy-Resolved γ-Ray Detection at Room Temperature by the CsPbCl 3 Perovskite Semiconductor

The detection of gamma-rays at room temperature with high-energy resolution using semiconductors is one of the most challenging applications. The presence of even the smallest amount of defects is sufficient to kill the signal generated from gamma-rays which makes the availability of semiconductors detectors a rarity. Lead halide perovskite semiconductors exhibit unusually high defect tolerance leading to outstanding and unique optoelectronic properties and are poised to strongly impact applications in photoelectric conversion/detection. Here we demonstrate for the first time that large size single crystals of the all-inorganic perovskite CsPbCl 3 semiconductor can function as a high-performance detector for gamma-ray nuclear radiation at room temperature. CsPbCl 3 is a wide-gap semiconductor with a bandgap of 3.03 eV and possesses a high effective atomic number of 69.8. We identified the two distinct phase transitions in CsPbCl 3 , from cubic (Pm-3m) to tetragonal (P4/mbm) at 325 K and finally to orthorhombic (Pbnm) at 316 K. Despite crystal twinning induced by phase transitions, CsPbCl 3 crystals in detector grade can be obtained with high electrical resistivity of similar to 1.7 X 10 9 Ω∙cm. The crystals were grown from the melt with volume over several cubic centimeters and have a low thermal conductivity of 0.6 W m -1 K -1 . The mobilities for electron and hole carriers were determined to similar to 30 cm 2 /(V s). Using photoemission yield spectroscopy in air (PYSA), we determined the valence band maximum at 5.66 +/- 0.05 eV. Under gamma-ray exposure, our Schottky-type planar CsPbCl 3 detector achieved an excellent energy resolution (similar to 16% at 122 keV) accompanied by a high figure-of-merit hole mobility-lifetime product (3.2 x 10 -4 cm 2 /V) and a long hole lifetime (16 mu s). The results demonstrate considerable defect tolerance of CsPbCl 3 and suggest its strong potential for gamma-radiation and X-ray detection at room temperature and above.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗