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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Coupling Anionic Oxygen Redox with Selenium for Stable High‐Voltage Sodium Layered Oxide Cathodes

Utilizing anion redox reaction is crucial for developing the next generation of high-energy density, low-cost sodium-ion batteries. However, the irreversible oxygen redox reaction in Na-ion layered cathodes, which leads to voltage fading and reduced overall lifespan, has hindered their practical application. In this study, selenium is incorporated as a synergistic redox active center of oxygen to improve the stability of Na-ion cathodes. The redesigned cathode maintains stable voltage by demonstrating reversible oxygen redox while significantly suppressing the redox activity of manganese. The anionic redox contribution capacity of the selenium-doped Na 0.6 Li 0.2 Mn 0.8 O 2 cathode remains as high as 84% after 50 cycles, while the pristine Na 0.6 Li 0.2 Mn 0.8 O 2 cathode experiences a reduction to 39% of its initial capacity. The X-ray photoelectron spectroscopy data and computational analysis further revealed that selenium doping participates in redox as Se +4/5 which stabilizes the charged state and increases the energy step for O─O dimerization, thus improving the stability and lifespan of Na 0.6 Li 0.2 Mn 0.8 O 2 cathodes. In conclusion, the findings highlight the potential of redox coupling design to address the issue of voltage fade caused by irreversible anionic redox.

25 ENERGY STORAGE↗
DOE OSTI2022

Surface and Optoelectronic Properties of Ultrathin Trigonal Selenium: A Density Functional Theory Study with van der Waals Correction

Selenium is a crucial earth-abundant and non-toxic semiconductor with a wide range of applications across the semiconductor industries. Selenium has drawn attention from scientific communities for its wide range of applicability: from photovoltaics to imaging devices. Its usage as a photosensitive material largely involves the synthesis of the amorphous phase (a-Se) via various experimental techniques. However, the ground state crystalline phase of this material, known as the trigonal selenium (\textit{t}-Se), is not extensively studied for its optimum electronic and optical properties. In this work, we present density functional theory (DFT) based systematic studies on the ultra-thin $(10\overline{1}0)$ surface slabs of \textit{t}-Se. We report the surface energies, work function, electronic and optical properties as a function of number of layers for $(10\overline{1}0)$ surface slabs to access its suitability for applications as a photosensitive material.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Development of a novel, windowless, amorphous selenium based photodetector for use in liquid noble detectors

Detection of the vacuum ultraviolet (VUV) scintillation light produced by liquid noble elements is a central challenge in order to fully exploit the available timing, topological, and calorimetric information in detectors leveraging these media. Here in this paper, we characterize a novel, windowless amorphous selenium based photodetector with direct sensitivity to VUV light. We present here the manufacturing and experimental setup used to operate this detector at low transport electric fields (2.7–5.2 V/μm) and across a wide range of temperatures (77 K–290 K). This work shows that the first proof-of-principle windowless amorphous selenium device is robust under cryogenic conditions, responsive to VUV light at cryogenic temperatures, and preserves argon purity. These findings motivate a continued exploration of amorphous selenium devices for simultaneous detection of scintillation light and ionization charge in noble element detectors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Improving CdMnTe Detector Performance by Adding 2% of Selenium

About 2% of selenium was added to CdMnTe (CMT) to reveal the role of selenium in CMT material used as a gamma-ray detector. The average etch-pit density (EPD) in a typical 2-in CdMnTeSe (CMTS) wafer was measured to be about 8.3×10 3 cm –2 except for the edge regions, and the radial nonuniformity of the bandgap along the wafer was about 2-meV. The typical mobility-lifetime product of electrons and holes was evaluated to be 3.06×10 –3 cm 2 /V and 3.1×10 –4 cm 2 /V, respectively. The energy resolution of the 122-keV photo-peak for a Co-57 radioactive source with a planar CMTS detector was 5.2%, demonstrating a positive effect associated with adding dilute amounts of Se to CMT. Finally, the enhanced detector performance in a planar CMTS detector is attributed to an improved value of hole mobility-lifetime product in CMTS, which mitigates the adverse hole tailing effect found in CdZnTe (CZT) and CMT detectors.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Selenium Migration and Local Structures in Cu‐Doped CdSeTe Solar Cells after Aging

Selenium grading plays a critical role in state-of-the-art Cadmium Telluride photovoltaic cells by enhancing long-wavelength absorption and extending minority carrier lifetimes —key to enabling the current performance record of 23.08%. However, very little is understood about selenium motion. In this study, a comprehensive, multimodal, and multiscale approach is employed to investigate Se migration and local structural changes in copper (Cu)-doped CdSeTe solar cells subjected to accelerated stress. X-ray fluorescence (XRF) microscopy shows unexpected levels of Se diffusion after 500 h under heat (75°C) and light (0.8 suns, 80 mW/cm 2 ), suggesting the coexistence of fast and slow diffusion channels even at low temperatures, with unexpectedly low activation energies (<0.85 eV). X-ray Absorption Near Edge Structure (XANES) analysis indicates a preferential migration of Se atoms to anionic lattice sites and a reduction in Se-Cl co-passivation at Te-terminated dislocation cores. Furthermore, these findings point to a reconfiguration of Se local environments and highlight the potential role of extended structural defects in enabling Se transport at low temperatures. Additionally, XANES results suggest that the presence of metallic Cu across the absorber layer may contribute to back-contact degradation and reduced hole density in both fresh and aged devices.

14 SOLAR ENERGY↗
DOE OSTI2021

Developing Cost Effective Biological Removal Technology for Selenium and Nitrate from Flue Gas Desulfurization Wastewater from an Existing Power Facility

Funding from this project supported new research in environmental biotechnology at WVSU Energy and Environmental Science Institute (WVSUEESI) to develop biological treatment techniques for FGD wastewater using photosynthetic organisms algae and plants. We tested the possibility of using algae and plants in treating FGD wastewater. Results suggested that algae and plants could able to perform normal photosynthesis under low concentrations of selenium. However, higher concentrations of selenium are lethal on photosynthesis. The total protein data indicated that FGD wastewater induced the accumulation of complete proteins in the duckweeds compared to control plants. It appears that nitrate, nitrates, and other compounds in FGD wastewater promote total protein accumulation. The FGD wastewater treatment has triggered Triacylglycerols (TAG) and carbohydrate accumulation in duckweed. We studied the differential gene expression using RNA-Sequencing data. Gene expression analysis revealed that glycolysis, fatty acid, triacylglycerol biosynthesis, and starch degradation were up-regulated; on the contrary, gluconeogenesis, photosynthesis, and starch biosynthesis genes were down-regulated by FGD wastewater treatment. We confirmed the expression of some of these genes using q-RT PCR analysis. We demonstrated that when FGD gypsum was blended with the coal mine soil to grow the bioenergy crop, Camelina, it could grow and produce seed. Moreover, Camelina is a non-edible oilseed crop and has heavy metal sequestering properties, making it the right reclamation choice. Besides, this project provided the opportunity for WVSU undergraduates to integrate hands-on research and education. Funding from this grant helped us to enhance student hands-on experience in water quality and environmental science and participation in STEM research and education.

09 BIOMASS FUELS↗
DOE OSTI2026

Impact of Selenium and Vitamin E Deficiency on Zika Virus Pathogenesis and Immune Response in Mice

Micronutrient status is recognized to influence host susceptibility to viral infections, yet its impact on Zika virus (ZIKV) pathogenesis remains incompletely understood. We investigated the effects of dietary selenium and combined selenium plus vitamin E deficiency on ZIKV infection outcomes in a type I interferon α/β receptor knockout (Ifnar1 −/− ) murine model. Mice maintained on deficient diets exhibited significantly lower neutralizing antibody titers and reduced levels of key antiviral cytokines (IFN-γ, TNF-α, IFN-α, IFN-β, IL-12p70, CCL5) compared to controls. Correspondingly, higher viral RNA loads were detected in the brains of double-deficient mice, which also experienced greater weight loss and increased mortality. Deep sequencing revealed no major differences in overall viral genome diversity across diet groups; however, specific mutations, including V330L and D67E in the E gene, and V360I in the NS3 gene, were enriched or detected in nutritionally deficient animals. These findings suggest that antioxidant micronutrient deficiency impairs both humoral and cellular immune responses to ZIKV, potentially facilitating enhanced neuroinvasion. While the functional consequences of the identified mutations warrant further investigation, our results underscore the importance of adequate micronutrient intake for optimal antiviral defense. Further studies are needed to clarify the epidemiological significance of these observations.

Biological and medical sciences↗
DOE OSTI2020

The Influence of C(sp 3 )H–Selenium Interactions on the 77 Se NMR Quantification of the π‐Accepting Properties of Carbenes

Abstract Selenium NMR has become a standard tool for scaling the π‐accepting character of carbenes. Herein, we highlight that non‐classical hydrogen bonding (NCHB), likely resulting from hyperconjugation, can play a significant role in the carbene–selenium 77 Se NMR chemical shift, thus triggering a non‐linear behavior of the Se‐Scale.

Junor, Glen P.↗
DOE OSTI2020

The Influence of C(sp 3 )H–Selenium Interactions on the 77 Se NMR Quantification of the π-Accepting Properties of Carbenes

Selenium NMR has become a standard tool for scaling the p-accepting character of carbenes. Herein, we highlight that non-classical hydrogen bonding (NCHB), likely resulting from hyperconjugation, can play a significant role in the carbene–selenium 77 Se NMR chemical shift, thus triggering a non-linear behavior of the Se-Scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

A comprehensive material study of CdSeTe films deposited with differing selenium compositions

The addition of selenium into CdTe to create the ternary alloy CdSeTe has been one of the most impactful advancements to CdTe-based photovoltaics in the last decade. CdSeTe/CdTe bilayer device structures have enabled a gain in short-circuit current due to the narrower bandgap of the alloy, with minimal to no loss in voltage. Intensity of photoluminescence and time-resolved photoluminescence measurements suggest this is due to an increase in carrier lifetime and concomitant greater fraction of radiative vs non-radiative recombination events which allows for a reduction in the voltage deficit. Here, in this work, we study the properties of as-deposited and CdCl 2 -treated CdSeTe films deposited by close-space sublimation under varying conditions from CdSeTe source charges with both 20 and 40 mol% CdSe. We find that the selenium content in the deposited films are substantially reduced from that of the source material. Additionally, deposition temperature, particularly that of the substrate, considerably affects the grain size, crystallinity, and photoluminescence of the material, illustrating the importance of source material selection and process optimization. Finally, we present evidence that the source material, and therefore the properties of the deposited films, change over time as the source material is used.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Review of Multifunctional Separators: Stabilizing the Cathode and the Anode for Alkali (Li, Na, and K) Metal–Sulfur and Selenium Batteries

Alkali metal batteries based on lithium, sodium, and potassium anodes and sulfur-based cathodes are regarded as key for next-generation energy storage due to their high theoretical energy and potential cost effectiveness. However, metal–sulfur batteries remain challenged by several factors, including polysulfides’ (PSs) dissolution, sluggish sulfur redox kinetics at the cathode, and metallic dendrite growth at the anode. Functional separators and interlayers are an innovative approach to remedying these drawbacks. Here we critically review the state-of-the-art in separators/interlayers for cathode and anode protection, covering the Li–S and the emerging Na–S and K–S systems. The approaches for improving electrochemical performance may be categorized as one or a combination of the following: Immobilization of polysulfides (cathode); catalyzing sulfur redox kinetics (cathode); introduction of protective layers to serve as an artificial solid electrolyte interphase (SEI) (anode); and combined improvement in electrolyte wetting and homogenization of ion flux (anode and cathode). It is demonstrated that while the advances in Li–S are relatively mature, less progress has been made with Na–S and K–S due to the more challenging redox chemistry at the cathode and increased electrochemical instability at the anode. Throughout these sections there is a complementary discussion of functional separators for emerging alkali metal systems based on metal–selenium and the metal–selenium sulfide. The focus then shifts to interlayers and artificial SEI/cathode electrolyte interphase (CEI) layers employed to stabilize solid-state electrolytes (SSEs) in metal–sulfur solid-state batteries (SSBs). The discussion of SSEs focuses on inorganic electrolytes based on Li- and Na-based oxides and sulfides but also touches on some hybrid systems with an inorganic matrix and a minority polymer phase. The review then moves to practical considerations for functional separators, including scaleup issues and Li–S technoeconomics. The review concludes with an outlook section, where we discuss emerging mechanics, spectroscopy, and advanced electron microscopy (e.g. cryo-transmission electron microscopy (cryo-TEM) and cryo-focused ion beam (cryo-FIB))-based approaches for analysis of functional separator structure–battery electrochemical performance interrelations. Finally, throughout the review we identify the outstanding open scientific and technological questions while providing recommendations for future research topics.

25 ENERGY STORAGE↗
DOE OSTI2021

Reversible electrochemical conversion from selenium to cuprous selenide

Using elemental selenium as an electrode, the redox-active Cu 2+ /Cu + ion is reversibly hosted via the sequential conversion reactions of Se → CuSe → Cu 3 Se 2 → Cu 2 Se. Here, the four-electron redox process from Se to Cu 2 Se produces a high initial specific capacity of 1233 mA h g –1 based on the mass of selenium alone or 472 mA h g –1 based on the mass of Cu 2 Se, the fully discharged product.

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

Selenium-doped sulfur cathodes for rechargeable batteries

An electrochemical device includes an anode, a separator, a cathode comprising a selenium-doped sulfur/carbon composite that includes a conductive carbon matrix and nano-sized selenium-doped sulfur particles of formula SxSey, where a ratio of x:y is from 2.5 to 1000, and an electrolyte comprising a salt and a non-aqueous fluorinated ether solvent.

25 ENERGY STORAGE↗
DOE OSTI2024

Coupling of Infrared Active Colloidal Quantum Dots and Amorphous Selenium for Fast and Sensitive Photodetection

Colloidal quantum dot (CQD) based infrared (IR) photodetectors offer facile wavelength tunability in the IR and low-cost fabrication. However, owing to their large surface areas, CQDs intrinsically have significant surface traps critically affecting the speed of CQD photodetectors, typically mediated through tedious surface passivation efforts. In this report, an alternative strategy involving coupling of near-IR photoactive lead sulfide CQDs with a thermally evaporated amorphous selenium (a-Se) hole transport layer is proposed. By separating the detector into a photon absorbing CQD region and a charge transport a-Se region, the study takes advantage of the extremely low noise, predominantly hole-only transport process in a-Se. Here, a high 3 dB bandwidth of 2.5 MHz and a competitive specific detectivity of 2.5 × 10 11 Jones at room temperature are demonstrated at 980 nm. This report serves as a first demonstration of strong coupling between an IR active CQD absorber and a-Se, which paves the path to obtain fast and highly photoresponsive IR photodetection in the future.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Extraction of selenium and arsenic with TOA-impregnated XAD-2 resin from HCl

Here the uptake of 75 Se and 73 As on trioctylamine-impregnated resin from HCl solutions was studied with batch uptake, kinetics, and column studies. Selenium-75 extracts well (D w ~ 900) at high HCl concentrations (≥ 10 M) with and no extraction of 73 As at any HCl concentration. The uptake kinetics were slow with low extraction (D w < 100) for time periods ≤ 15 min and no clear equilibrium achieved even after 24 h. Column studies were performed to characterize the separation of 75 Se and 73 As; 75Se is retained from conc. HCl while arsenic is eluted with high yields and high radiopurity.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

Uptake of arsenic and selenium on iron-doped Pb resin

We report the uptake of the radioisotopes 73 As and 75 Se was characterized on Fe 3+ -doped Pb resin (Eichrom Technologies) from pH 1 to 12. There is good uptake of arsenic and selenium over a wide pH range (~ 1 to 10) with a decrease only at high pH (~ 12). Column experiments were performed to demonstrate the separations of these elements from solutions with near neutral pH values (~ 6 to 8) with high yields and high radiopurity. These separations may be relevant for a wide variety of applications especially isotope harvesting research.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2025

Sulfur-functionalized solid-phase materials for the selective separation of arsenic and selenium

Radioactive arsenic (As) isotopes are of growing interest for applications in nuclear medicine, national security, and environmental research. Recent efforts at the Facility for Rare Isotope Beams (FRIB) have focused on aqueous harvesting of selenium-72,73 ( 72,73 Se) and their daughter isotopes, arsenic-72,73 ( 72,73 As), which are particularly valuable for medical applications and nuclear data studies, respectively. Both conventional isotope production and harvesting methods require chemical separations to purify radioactive As from parent and co-produced Se radioisotopes. While several solid-phase separation methods for As and Se exist, many depend on complex oxidation state control or highly acidic conditions. This study presents results for sulfur-based solid-phase materials selected to enable uptake at lower acidity and eliminate the need for intricate redox chemistry. Specifically, the performance of three covalently bound sulfur-based ligands were evaluated: (1) thiophenol-polystyrene, (2) propanethiol-silica, and (3) thiourea-silica. Uptake characteristics—including distribution coefficients (Dw), kinetics, and column separation behavior—were assessed using 75 Se and 73 As in hydrochloric (HCl) acid and nitric (HNO 3 ) solutions. The resins demonstrated high-yield (>95%) and high-purity As recovery across a range of HCl concentrations. Comparable results in HNO 3 were achieved when combined with anion exchange chromatography. Furthermore, the potential application of these materials for medical isotope generators was also investigated through ligand stability and repeated elution studies. Overall, sulfur leaching from the resins was negligible at the concentrations relevant for these separations but increased with higher acid concentrations.

Arsenic↗