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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 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

Double-Diffusive Convection During Growth of Halides and Selenides

Heavy metal halides and selenides have unique properties which make them excellent materials for chemical, biological and radiological sensors. Recently it has been shown that selenohalides are even better materials than halides or selenides for gamma-ray detection. These materials also meet the strong needs of a wide band imaging technology to cover ultra-violet (UV), midwave infrared wavelength (MWIR) to very long wavelength infrared (VLWIR) region for hyperspectral imager components such as etalon filters and acousto-optic tunable filters (AO). In fact AOTF based imagers based on these materials have some superiority than imagers based on liquid crystals, FTIR, Fabry-Perot, grating, etalon, electro-optic modulation, piezoelectric and several other concepts. For example, broadband spectral and imagers have problems of processing large amount of information during real-time observation. Acousto-Optic Tunable Filter (AOTF) imagers are being developed to fill the need of reducing processing time of data, low cost operation and key to achieving the goal of covering long-wave infrared (LWIR). At the present time spectral imaging systems are based on the use of diffraction gratings are typically used in a pushbroom or whiskbroom mode. They are mostly used in systems and acquire large amounts of hyperspectral data that is processed off-line later. In contrast, acousto-optic tunable filter spectral imagers require very little image processing, providing new strategies for object recognition and tracking. They are ideally suited for tactical situations requiring immediate real-time image processing. But the performance of these imagers depends on the quality and homogeneity of acousto-optic materials. In addition for many systems requirements are so demanding that crystals up to sizes of 10 cm length are desired. We have studied several selenides and halide crystals for laser and AO imagers for MWIR and LWIR wavelength regions. We have grown and fabricated crystals of several materials such as mercurous chloride, mercurous bromide, mercurous iodide, lead chloride lead bromide, lead iodide, thallium arsenic selenide, gallium selenide, zince sulfide zinc selenide and several crystals into devices. We have used both Bridgman and physical vapor transport (PVT) crystal growth methods. In the past have examined PVT growth numerically for conditions where the boundary of the enclosure is subjected to a nonlinear thermal profile. Since past few months we have been working on binary and ternary materials such as selenoiodides, doped zinc sulfides and mercurous chloro bromide and mercurous bromoiodides. In the doped and ternary materials thermal and solutal convection play extremely important role during the growth. Very commonly striations and banding is observed. Our experiments have indicated that even in highly purified source materials, homogeneity in 1-g environment is very difficult. Some of our previous numerical studies have indicated that gravity level less than 10-4 (-g) helps in controlling the thermosolutal convection. We will discuss the ground based growth results of HgClxBr(1-x) and ZnSe growth results for the mm thick to large cm size crystals. These results will be compared with our microgravity experiments performed with this class of materials. For both HgCl-HgBr and ZnS-ZnSe the lattice parameters of the mixtures obey Vagard's law in the studied composition range. The study demonstrates that properties are very anisotropic with crystal orientation, and performance achievement requires extremely careful fabrication to utilize highest figure of merit. In addition, some parameters such as crystal growth fabrication, processing time, resolution, field of view and efficiency will be described based on novel solid solution materials. It was predicted that very similar to the pure compounds solid solutions also have very large anisotropy, and very precise oriented and homogeneous bulk and thin film crystals is required to achieve maximum performance of laser or imagers. Some of the parameters controlling the homogeneity such as thermos-solutal convection driven forces can be controlled in microgravity environments to utilize the benefits of these unique materials.

Singh, N. B.↗
NASA NTRS2024

Morphology and Luminescence Properties of Transition Metal Doped Zinc Selenide Crystals

Zinc selenide is an excellent matrix material to dope with rare-earth and transition metal to achieve mid-infrared luminescence to develop high power lasers. The luminescence, morphology and refractive index is significantly affected by the doping and defects generated due to size and valency of dopants, concentration, growth process and convection during the growth. The aim of the study is to investigate effect of point and line defects generated due to low doping of iron and chromium on the emission and morphology of the zinc selenide. Luminescence and morphological properties of large iron and chromium doped zinc selenide single crystals were studied to evaluate the effect of extremely low residual impurities and defects associated with the doping process. The emission properties following both short wavelength (i.e., ultraviolet; 350 – 370 nm) excitation and longer wavelength (i.e., near infrared; 850 – 870 nm) excitation were characterized. Luminescence emission bands were identified in both doped crystals. In addition to the primary emission bands, satellite peaks and intra-center transitions were also observed. Due to local population defects associated with the residual impurities (ppm to ppb) in the Fe-ZnSe and Cr-ZnSe crystals, peak emission wavelengths were observed to shift. Raman studies using 266 and 532 – nm excitation revealed different positions of longitudinal and transverse peaks for Fe-ZnSe and Cr-ZnSe crystals, associated with different levels of defects due to the different ion sizes. The emission bands were found to decrease in intensity due to recombination of residual impurity co-dopants and complex defects generated during growth and fabrication. Cryogenic temperature analyses revealed a very clean emission band due to freezing of some of the point and line defects. An emission band observed at 980 nm for both crystals at room temperature as well as cryogenic temperatures indicates a vibronic peak in ZnSe. The scanning electron microscopy (SEM) images of the local morphology support the conclusion that small crystallites in doped crystals are also present.

Zinc selenide↗
DOE OSTI2023

Make Selenium Reactive Again: Activating Elemental Selenium for Synthesis of Metal Selenides Ranging from Nanocrystals to Large Single Crystals

The inertness of elemental selenium is a significant obstacle in the synthesis of selenium-containing materials at low reaction temperatures. Over the years, several recipes have been developed to overcome this hurdle; however, most of the methods are associated with the use of highly toxic, expensive, and environmentally harmful reagents. As such, there is an increasing demand for the design of cheap, stable, and nontoxic reactive selenium precursors usable in the low-temperature synthesis of transition metal selenides with vast applications in nanotechnology, thermoelectrics, and superconductors. Herein, a novel synthetic route has been developed for activating elemental selenium by using a solvothermal approach. By comprehensive 77 Se NMR, Raman, and infrared spectroscopies and gas chromatography–mass spectrometry, we show that the activated Se solution contained HSe – , [Se–Se] 2– , and Se 2– ions, as well as dialkyl selenide (R 2 Se) and dialkyl diselenide (R–Se–Se–R) species in dynamic equilibrium. This also corresponded to the first observation of naked Se 2 2– in solution. The versatility of the developed Se precursor was demonstrated by the successful synthesis of (i) the polycrystalline room-temperature modification of the β-Ag 2 Se thermoelectric material; (ii) large single crystals of superconducting β-FeSe; (iii) CdSe nanocrystals with different particle sizes (3–10 nm); (iv) nanosheets of PtSe 2 ; and (v) mono- and dibenzyl selenides and diselenides at room temperature. In conclusion, The simplicity and diversity of the developed Se activation method holds promise for applied and fundamental research.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

MXene/graphitic carbon nitride-supported metal selenide for all-solid-state flexible supercapacitor and oxygen evolution reaction

We report a new type of combination of rare earth metal selenides (Ce 2 Se 3 and Er 2 Se 3 ) with a Ti 3 C 2 T x /S-doped graphitic carbon nitride heterostructure for bifunctional application in flexible supercapacitors and oxygen evolution reactions. The incorporation of S-doped graphitic carbon nitride in MXenes reduced the layer stacking tendency of both two-dimensional sheets and eliminated volume expansion by forming a heterostructure. Cerium and erbium rare earth metal centers induce reactive surface sites, whereas binary layers of Ti 3 C 2 T x /S-doped graphitic carbon nitride provide a conducting matrix for the homogeneous growth of the metal selenides. The assembled all-solid-state flexible asymmetric supercapacitor exhibited a high specific capacitance of 60 F g –1 , an energy density of 10.1 W h kg –1 (volumetric energy density: 0.9 mW h cm –3 ) at 2 A g –1 , and 100% capacitance retention after 10 000 charge–discharge cycles with good flexibility for real-time applications. Furthermore, the optimum nanohybrid showed a low overpotential of 280 mV and a Tafel slope of 99 mV dec –1 with durable electrocatalytic performance. Furthermore, this work is the first to investigate the bifunctional energy efficiency of rare earth metal selenides grown over MXene materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Bypassing sulfides: comparing the morphology and performance of solution processed Cu(In,Ga)Se 2 films prepared via two selenide molecular precursor routes

Solution-processing of thin-film photovoltaics offers an alternative to vacuum-deposition based approaches. The amine–thiol reactive solvent system has become a focal point for the solution-processing of chalcogenide species, owing to the convenience of precursor preparation and comparatively high performance of prepared devices. Selenide species prepared via the amine–thiol route typically progress through a sulfide intermediate phase, and as such are commonly afflicted with sulfur and carbon impurities along- side the presence of a carbonaceous fine-grained layer. Here, two routes of preparing films directly to a selenide phase are examined; first by the co-dissolution of selenium in an amine–thiol solution and second via the novel use of reactive alkylammonium polyselenides. Lamella are cut from these selenide precursor films and final devices, and STEM-EDX and TEM are used to characterize film morphology and secondary phases. A champion device efficiency of 11.2% is reported for the novel polyselenide route, and clear paths of improvement are identified.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Exploring the Feasibility and Performance of Perovskite/Antimony Selenide Four-Terminal Tandem Solar Cells

The tandem solar cell presents a potential solution to surpass the Shockley–Queisser limit observed in single-junction solar cells. However, creating a tandem device that is both cost-effective and highly efficient poses a significant challenge. In this study, we present proof of concept for a four-terminal (4T) tandem solar cell utilizing a wide bandgap (1.6–1.8 eV) perovskite top cell and a narrow bandgap (1.2 eV) antimony selenide (Sb 2 Se 3 ) bottom cell. Using a one-dimensional (1D) solar cell capacitance simulator (SCAPS), our calculations indicate the feasibility of this architecture, projecting a simulated device performance of 23% for the perovskite/Sb 2 Se 3 4T tandem device. To validate this, we fabricated two wide bandgap semitransparent perovskite cells with bandgaps of 1.6 eV and 1.77 eV, respectively. These were then mechanically stacked with a narrow bandgap antimony selenide (1.2 eV) to create a tandem structure, resulting in experimental efficiencies exceeding 15%. The obtained results demonstrate promising device performance, showcasing the potential of combining perovskite top cells with the emerging, earth-abundant antimony selenide thin film solar technology to enhance overall device efficiency.

14 SOLAR ENERGY↗
NASA NTRS1972

Magnetometer uses bismuth-selenide

Characteristics of bismuth-selenide magnetometer are described. Advantages of bismuth-selenide magnetometer over standard magnetometers are stressed. Thermal stability of bismuth-selenide magnetometer is analyzed. Linearity of output versus magnetic field over wide range of temperatures is reported.

Woollman, J. A.↗
NASA NTRS1977

Development of the data base for a degradation model of a selenide RTG

The paper is concerned with the evaluation of the materials used in a selenide radioisotope thermoelectric generator (RTG). These materials are composed of n-type gadolinium selenide and n-type copper selenide. A three-fold evaluation approach is being used: (1) the study of the rate of change of the thermal conductivity of the material, (2) the investigation of the long-term stability of the material's Seebeck voltage and electrical resistivity under current and temperature gradient conditions, and (3) determination of the physical behavior and compatibility of the material with surrounding insulation at elevated temperatures. Programmatically, the third category of characteristic evaluation is being emphasized.

Stapfer, G.↗
NASA NTRS1978

Selenide technology evaluation program at JPL

Results are presented for experimental and analytical investigations of the overall performance of a selenide radioisotope thermoelectric generator intended to provide the electrical power for interplanetary spaceprobes such as the Galileo mission to Jupiter. The discussion focuses on technology areas of concern, electrical properties of the selenide thermoelectric materials used, and thermal conductivity of these materials for superior performance. It is shown that the selenide thermoelectric materials offer the advantage of high conversion efficiency. The long-life requirement on the power system for the Galileo mission necessitates proper design, known fabrication techniques, and reproducible assembly techniques in order to ensure stability of the thermoelectric properties. However, the thermophysical properties - sublimation and creep - of the p-material remains an area of considerable concern.

Stapfer, G.↗
NASA NTRS1986

Low-Resistivity Zinc Selenide for Heterojunctions

Magnetron reactive sputtering enables doping of this semiconductor. Proposed method of reactive sputtering combined with doping shows potential for yielding low-resistivity zinc selenide films. Zinc selenide attractive material for forming heterojunctions with other semiconductor compounds as zinc phosphide, cadmium telluride, and gallium arsenide. Semiconductor junctions promising for future optoelectronic devices, including solar cells and electroluminescent displays. Resistivities of zinc selenide layers deposited by evaporation or chemical vapor deposition too high to form practical heterojunctions.

Stirn, R. J.↗
DOE OSTI2025

Morphological Degradation of Oxygen Evolution Reaction-Electrocatalyzing Nickel Selenides at Industrially Relevant Current Densities

We investigated electrodeposited nanoparticulate nickel selenide (pre)catalysts that transform into nickel oxides/ oxyhydroxides under oxygen evolution reaction conditions in alkaline solutions. Previous studies of this transformation were conducted at lower current densities than those of industrial relevance (≥1 A cm −2 ). We used ultramicroelectrodes (UMEs) to achieve such current densities, benefiting from their small size, ensuring low absolute currents and low ohmic drop but high current densities. Morphological degradation of the catalyst material was only observed at current densities exceeding 1 A cm −2 but not for smaller ones. Using X-ray absorption, Xray photoemission spectroscopy, and X-ray diffraction, we confirmed that the degradation was accompanied by the literature-known transformation of nanoparticulate Ni 3 Se 2 (bulk)/NiSe (surface) into nickel oxyhydroxide. The transformation of the precatalyst goes along with a significant improvement in the charge transfer kinetics observed by decreasing Tafel slopes with ongoing experimental time extracted from cyclic voltammetry (CV) experiments and electrochemical impedance spectroscopy (EIS) in the high-frequency range. However, these kinetic improvements are accompanied by limitations in mass transport concluded from decreasing current responses at high overpotentials in CVs and increasing impedance in the low-frequency range of the EIS spectra after extended CV cycling. These mass transport limitations originated from morphological degradations at the UME exceeding 1 A cm −2 which we proved by applying identical location scanning electron microscopy. This has not been reported in studies that have been limited to lower current densities before. Our findings showcase how UMEs can be used to study (pre)catalysts (herein nickel selenides) under current densities of industrial relevance in the absence of ohmic drop-related ambiguities, combined with in-depth materials characterization studies, e.g., identical location microscopy and advanced spectroscopic methods. This approach enables direct evaluation and comparison of catalyst materials and thus demonstrates how to overcome long-standing limitations of electrocatalyst design and testing.

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

Machine learning-assisted ultrafast flash sintering of high-performance and flexible silver–selenide thermoelectric devices

Flexible thermoelectric generators (TEGs) have shown immense potential for serving as a power source for wearable electronics and the Internet of Things. A key challenge preventing large-scale application of TEGs lies in the lack of a high-throughput processing method, which can sinter thermoelectric (TE) materials rapidly while maintaining their high thermoelectric properties. Herein, we integrate high-throughput experimentation and Bayesian optimization (BO) to accelerate the discovery of the optimum sintering conditions of silver–selenide TE films using an ultrafast intense pulsed light (flash) sintering technique. Due to the nature of the high-dimensional optimization problem of flash sintering processes, a Gaussian process regression (GPR) machine learning model is established to rapidly recommend the optimum flash sintering variables based on Bayesian expected improvement. For the first time, an ultrahigh-power factor flexible TE film (a power factor of 2205 μW m -1 K -2 with a zT of 1.1 at 300 K) is demonstrated with a sintering time less than 1.0 second, which is several orders of magnitude shorter than that of conventional thermal sintering techniques. Further, the films also show excellent flexibility with 92% retention of the power factor (PF) after 10 3 bending cycles with a 5 mm bending radius. In addition, a wearable thermoelectric generator based on the flash-sintered films generates a very competitive power density of 0.5 mW cm -2 at a temperature difference of 10 K. This work not only shows the tremendous potential of high-performance and flexible silver–selenide TEGs but also demonstrates a machine learning-assisted flash sintering strategy that could be used for ultrafast, high-throughput and scalable processing of functional materials for a broad range of energy and electronic applications.

25 ENERGY STORAGE↗
DOE OSTI2026

Scalable, low-cost ink-based processing of high-performance silver selenide thermoelectrics

The growing global energy demand and its accelerating contribution to climate change emphasize the urgent need for sustainable energy conversion/harvesting technologies. Thermoelectric (TE) devices offer a compelling route to directly convert waste heat into electricity and enable solid-state cooling without moving parts or harmful refrigerants. Achieving their full potential requires not only higher TE performance (zT) but also scalable, low-cost manufacturing processes. Here, we introduce a transformative ink-based processing approach for scalable manufacturing of high-performance silver selenide-based TE materials and devices. Using a simple, high-throughput ink-mixing and blade coating strategy, our Ag 2 Se-based materials under the optimized composition and processing conditions yield an ultrahigh room-temperature power factor of 2.8 mW m −1 K −2 , over 100% higher than baseline samples and a reproducible figure of merit zT of 1 at room temperature. A thermoelectric generator (TEG) achieves a very competitive power density of 112 mW cm −2 at a 90 °C temperature difference between the hot and cold sides of the device, which is among the highest reported for silver selenide-based TE devices to date. This facile, scalable ink-based processing establishes a practical pathway toward industrial-scale manufacturing and widespread adoption of thermoelectric devices, advancing sustainable energy technologies.

Bappy, Md. Omarsany [University of Notre Dame, IN ↗
NASA NTRS1972

Solid-gas phase equilibria and thermodynamic properties of cadmium selenide.

Accurate vapor pressures are determined through direct weight loss measurements using the Knudsen effusion technique. The experimental data are evaluated by establishing the mode of vaporization and determining the heat capacity of cadmium selenide at elevated temperatures. Additional information is obtained through a second- and third-law evaluation of data, namely, the heat of formation and the absolute entropy of cadmium selenide. A preferential loss of selenium during the initial heating of CdSe is observed, which leads to a deviation in stoichiometry.

Sigai, A. G.↗
NASA NTRS1975

Ovonic type switching in tin selenide thin films

Amorphous tin selenide thin films which possess Ovonic type switching properties are fabricated using vacuum deposition techniques. The devices are fabricated in a planar configuration and consist of amorphous tin selenide deposited over silver contacts. Results obtained indicate that Ovonic type memory switching does occur in these films with the energy density required for switching from a high impedance to a low impedance state being dependent on the spacing between the electrodes of the device. There is also a strong implication that the switching is a function of the magnitude of the applied voltage pulse.

Baxter, C. R.↗
NASA NTRS1995

Growth of zinc selenide crystals by physical vapor transport in microgravity

The growth of single crystals of zinc selenide was carried out by both closed ampoule physical vapor transport and effusive ampoule physical vapor transport (EAPVT). The latter technique was shown to be a much more efficient method for the seeded growth of zinc selenide, resulting in higher transport rates. Furthermore, EAPVT work on CdTe has shown that growth onto /n11/ seeds is advantageous for obtaining reduced twinning and defect densities in II-VI sphalerite materials.

Rosenberger, Franz↗
DOE OSTI2022

Stabilized copper selenide thermoelectric materials and methods of fabrication thereof

A thermoelectric composition is provided that includes a nanocomposite comprising a copper selenide (Cu 2 Se) matrix having a plurality of nanoinclusions comprising copper metal selenide (CuMSe 2 ) distributed therein. M may be selected from the group consisting of: indium (In), aluminum (Al), gallium (Ga), antimony (Sb), bismuth (Bi), and combinations thereof. The thermoelectric composition has an average figure of merit (ZT) of greater than or equal to about 1.5 at a temperature of less than or equal to about 850K (about 577° C.). Methods of making such a thermoelectric nanocomposite material by a sequential solid-state transformation of a CuSe2 precursor are also provided.

Poudeu-Poudeu, Pierre Ferdinand↗