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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

The effect of ICRH and NBI on tungsten transport in neon edge radiation cooled discharges in TEXTOR

Tungsten is planned to be the plasma-facing material for the main chamber and divertor in future devices like ITER, SPARC, and DTT. To address risks associated with tungsten, R&D is being carried out on various toroidal confinement devices. One particular research question is related to the optimum heating mix for ITER. To investigate the influence of the heating scheme on the release and transport of tungsten, a comparison of neutral beam injection (NBI) and ion cyclotron resonance frequency (ICRF) heating was carried out in TEXTOR tungsten test limiter experiments. The experiments were performed under standard L-mode conditions and in radiative improved-mode operation with neon seeding and boronized walls covering the graphite plasma-facing components. The plasma was heated with hydrogen or deuterium NBI alone or with deuterium NBI in combination with H-minority, ion cyclotron resonance heating. A movable solid tungsten limiter was inserted through a limiter lock system into the edge plasma. The impurity release from this limiter was evaluated from visible spectroscopy. The tungsten concentrations in the plasma core were determined by extreme ultraviolet spectroscopy and bolometry. With deuterium NBI alone, strong central radiation and accumulation of W was observed. This can, however, be avoided by adding ICRF heating.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

The Detection and Characterization of Be+sdO Binaries from HST/STIS FUV Spectroscopy

The B emission-line stars are rapid rotators that were probably spun up by mass and angular momentum accretion through mass transfer in an interacting binary. Mass transfer will strip the donor star of its envelope to create a small and hot subdwarf remnant. Here we report on Hubble Space Telescope/STIS far-ultraviolet spectroscopy of a sample of Be stars that reveals the presence of the hot sdO companion through the calculation of cross-correlation functions of the observed and model spectra. We clearly detect the spectral signature of the sdO star in 10 of the 13 stars in the sample, and the spectral signals indicate that the sdO stars are hot, relatively faint, and slowly rotating as predicted by models. A comparison of their temperatures and radii with evolutionary tracks indicates that the sdO stars occupy the relatively long-lived, He-core burning stage. Only 1 of the 10 detections was a known binary prior to this investigation, which emphasizes the difficulty of finding such Be+sdO binaries through optical spectroscopy. However, these results and others indicate that many Be stars probably host hot subdwarf companions.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Femtosecond ultraviolet laser absorption spectroscopy for simultaneous measurements of temperature and OH concentration

This Letter reports a femtosecond ultraviolet laser absorption spectroscopy (fs-UV-LAS) for simultaneous in situ measurements of temperature and species. Here, this fs-UV-LAS technique was demonstrated based on X 2 Π-A 2 Σ + transitions of OH radicals near 308 nm generated in low temperature plasmas and flames. The fs-UV-LAS technique has revealed three major diagnostic benefits. First, a series of absorption features within a spectral bandwidth of ~3.2 nm near 308 nm were simultaneously measured and then enabled simultaneous multi-parameter measurements with enhanced accuracy. The results show that the temperature and OH concentration could be measured with accuracy enhanced by 29–88% and 58–91%, respectively, compared to those obtained with past two-narrow-line absorption methods. Second, an ultrafast time resolution of ~120 picoseconds was accomplished for the measurements. Third, due to the large OH X 2 Π-A 2 Σ + transitions in the UV range, a simple single-pass absorption with a 3-cm path length was allowed for measurements in plasmas with low OH number density down to ~2 × 10 13 cm –3 . Also due to the large OH UV transitions, single-shot fs absorption measurements were accomplished in flames, which was expected to offer more insights into chemically reactive flow dynamics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

A comprehensive investigation on the properties of nanostructured cerium oxide

The structural, optical, magnetic and electrical properties of cerium oxide (CeO{sub 2}) nanoparticles prepared by hydrothermal route are analyzed by subjecting them to characterization techniques such as Powder X-ray diffraction (PXRD), High resolution scanning electron microscope (HRSEM), High resolution transmission electron microscope (HRTEM), Energy Dispersive X-ray Analysis (EDAX), Fourier transform infra red spectroscopy (FTIR), Raman spectroscopy, Ultraviolet–Visible analysis, Vibrating sample magnetometer (VSM) analysis and Dielectric measurements. The PXRD, FTIR, Raman and EDAX analyses confirm the formation of CeO{sub 2} nanoparticles. The PXRD studies reveal that the cerium oxide nanoparticles have crystalline nature and have Face Centered Cubic structure. The average crystallite size, estimated using Scherrer formula, is 7 nm. The HRSEM and HRTEM images reveal that the CeO{sub 2} nanoparticles have spherical morphology with an average particle size of 23 nm. The optical band gap energy of the cerium oxide nanoparticles, calculated from UV–Vis studies, is 3.4 eV which could be due to the substantial concentration of Ce{sup 3+} ions in the ceria nanoparticles. The Ferromagnetic behavior of CeO{sub 2} at room temperature is implied from VSM studies. The Dielectric analysis divulge that the dielectric constant of cerium oxide nanoparticles decreases as the frequency and temperature increases. The electrical behaviour, activation energy and relaxation time of electrons of CeO{sub 2} nanoparticles are studied by plotting Nyquist plot, Arrhenius plot and Bode plot respectively.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Genetic Fusion of Thermoresponsive Polypeptides with UCST‐type Behavior Mediates 1D Assembly of Coiled‐Coil Bundlemers

Abstract Thermoresponsive resilin‐like polypeptides (RLPs) of various lengths were genetically fused to two different computationally designed coiled coil‐forming peptides with distinct thermal stability, to develop new strategies to assemble coiled coil peptides via temperature‐triggered phase separation of the RLP units. Their successful production in bacterial expression hosts was verified via gel electrophoresis, mass spectrometry, and amino acid analysis. Circular dichroism (CD) spectroscopy, ultraviolet‐visible (UV/Vis) turbidimetry, and dynamic light scattering (DLS) measurements confirmed the stability of the coiled coils and showed that the thermosensitive phase behavior of the RLPs was preserved in the genetically fused hybrid polypeptides. Cryogenic‐transmission electron microscopy and coarse‐grained modeling revealed that functionalizing the coiled coils with thermoresponsive RLPs leads to their thermally triggered noncovalent assembly into nanofibrillar assemblies.

Patkar, Sai S.↗
DOE OSTI2022

The S solubility of Cr and Al containing simulated low-activity waste glass

Here, the presence of sulfur-containing molten salt phases during vitrification is a particular problem which can be detrimental to the melter. Borosilicate compositions were designed to explore both the effects of a fixed amount of Cr, as Cr 2 O 3 or Na 2 CrO 4 , and the impact of Al 2 O 3 , on sulfur solubility as determined by progressively adding elemental S. The NABS series (with Al 2 O 3 ) has a higher SO 3 solubility of ~3.5 mol% while the NBS series (without Al 2 O 3 ) has a SO 3 solubility of ~2 mol%. Crystalline Cr 2 O 3 formed in the NABS series upon the addition of S but is not present in the NBS series. At the highest S addition, a separate salt phase always forms, and was identified as Na 2 (S,Cr)O 4 via electron dispersive spectroscopy, ultraviolet-visible spectroscopy, x-ray diffraction, and thermal analysis. Magic angle spinning nuclear magnetic resonance identified no change in the B coordination in either series as S is added, suggesting that the Na is scavenged from other locations, such as the Si sites, to charge compensate sulfate, whether in the glass or in the salt. The Cr precursor identity did not affect the observed overall behavior regarding sulfur, but did impact Cr redox as identified with Raman spectroscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Investigating the effect of B T direction on W source-to-core pathways during the SAS-VW campaign on DIII-D

Experiments using the V-shaped closed slot tungsten (W) coated SAS-VW divertor in DIII-D studied the effects of the BT direction on core contamination of eroded tungsten from a closed slot divertor configuration. Core W content is inferred using soft-X ray tomography (SXR) and vacuum ultraviolet spectroscopy (SPRED), while W divertor erosion is inferred from visible spectroscopy of W emission (400.9 nm) measured by in-slot filterscopes (filtered photo-multipliers). Post-mortem analysis from the campaign discovered tile misalignment leading to suspected pronounced leading-edge erosion in the unfavorable BT direction (ion B ⃗×∇B ⃗ drift away from divertor) likely not captured by diagnostics. However, empirical findings show up to ~2-3x larger core contamination in the favorable BT direction even considering no additional W erosion from leading edges. A “source-to-core efficiency factor” is derived to estimate the effects of leading-edge erosion and compare W contamination for two pairs of H-mode discharges in opposite BT directions. While having differing absolute parameters, similar core impurity density gradients suggest comparable core impurity transport. These results show that favorable BT may have stronger source-to-core pathways for W impurities sourced from the outer divertor region. Possible explanations could include the effects of E ⃗×B ⃗ drifts on W transport in the scrape-off-layer (SOL) as well as previously determined fast SOL inner target directed flows in favorable BT.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Investigating Cu-Site Doped Cu–Sb–S Nanoparticles Using Photoelectron and Electron Paramagnetic Resonance Spectroscopy

Tetrahedrite (Cu 12 Sb 4 S 13 ) and famatinite (Cu 3 SbS 4 ) are good candidates for green energy applications because they possess promising thermoelectric and photovoltaic properties as well as contain earth-abundant and nontoxic constituents. Herein, X-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), and electron paramagnetic resonance spectroscopy (EPR) methods examined inherent electronic properties and interatomic magnetic interactions of Cu-site doped tetrahedrite and famatinite nanomaterials. An energy-efficient modified polyol method was utilized for the synthesis of tetrahedrite and famatinite nanoparticles doped on the Cu-site with Zn, Fe, Ni, Mn, and Co. This is the first parallel study of tetrahedrite and famatinite nanomaterials with XPS, UPS, and EPR methods alongside a systematic analysis of dopant-dependent effects on the electronic structure and magnetic interactions for each material. XPS showed that the Cu and Sb species in tetrahedrite and famatinite possess different oxidation states, while UPS characterization reveals larger dopant-dependent shifts in the work function for tetrahedrite nanoparticles (4.21 to 4.79 eV) than for famatinite nanoparticles (4.57 to 4.77 eV). Finally, all famatinite nanoparticles display an EPR signal, indicating trace amounts of paramagnetic Cu(II) present below the detection limit of XPS. For tetrahedrite, EPR signatures were observed only for the Zn-doped and Mn-doped nanoparticles, suggesting signal broadening from Cu–Cu spin exchange or spin–lattice relaxation. This study demonstrates the complementary nature of XPS and EPR techniques for studying the oxidation states of metals in solid-state nanomaterials. Comparing the electronic and magnetic properties of tetrahedrite and famatinite while studying the impact of dopant incorporation will guide future endeavors in designing sustainable, high-performance materials for renewable energy applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

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

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

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2022

Deciphering Photochemical Reaction Pathways of Aqueous Tetrachloroauric Acid by X-ray Transient Absorption Spectroscopy

Photolysis reaction pathways of [Au(III)Cl 4 ] - in aqueous solution have been investigated by time-resolved X-ray absorption spectroscopy. Ultraviolet excitation directly breaks the Au-Cl bond in [Au(III)Cl 4 ] - to form [Au(II)Cl 3 ] - that becomes highly reactive within 79 ps. Disproportionation of [Au(II)Cl 3 ] - generates [Au(I)Cl 2 ] - , which is stable for ≤ 10 mu s. In contrast, intense near-infrared lasers photolyze water to generate hydrated electrons, which then reduce [Au(III)Cl 4 ] - to [Au(II)Cl 3 ] - at 5 ns. Hydrated electrons further induce a chain reaction from [Au(II)Cl 3 ] - to [Au(0)Cl] - by successively removing one Cl - . The zero-valency Au anions quickly polymerize and condense to form Au nanoparticles, which become the dominating product after 400 s. Here our results reveal that the condensation of zero-valency Au starts with dimerization of gold clusters coordinated with chloride ions rather than direct condensation of pristine Au atoms.

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

Boosting Tin Perovskite Solar Cell Performance via Light-Induced Interface Doping

Continuous breakthroughs have been achieved in the photoelectric conversion efficiency (PCE) of tin-based perovskite solar cells (TPSCs) in recent years. Inspired by performance improvements observed during device storage, we identified beneficial light-induced interface doping (LIID) in the TPSCs. In situ analyses using X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy reveal that ion migration and oxidation at the interface induce beneficial doping effects, enhancing carrier transport and significantly boosting device performance. By implementing specific illumination techniques or maximum power point tracking (MPPT) methods to achieve LIID, we increased the open-circuit voltage while maintaining a high short-circuit current, reaching a PCE of up to 14.91%. Furthermore, this efficiency was sustained at 70% of its maximum value after nearly 900 h of continuous operation. Our study introduces a novel approach to addressing energy band mismatch, paving the way for improved efficiency in tin-based perovskite solar cells.

Sun, Mulin↗
DOE OSTI2021

Selective Oxidative Coupling of Amines Using Mesoporous MoO x Catalysts

In this paper, we report a synthesis method for highly porous molybdenum oxide via molybdenum-oxo cluster formation under acidic conditions providing extraordinary stability. Synthesized materials indicate higher valences of molybdenum as compared to the commercial standards as verified through X-ray photoelectron spectroscopy, electron paramagnetic resonance spectroscopy, and ultraviolet–visible spectroscopy. The formation of a 91% orthorhombic molybdenum oxide bulk structure was verified through powder X-ray diffraction analysis. The effect of the hydrogen peroxide solvent system was optimized to obtain pore diameters as big as 17.4 nm and pore volumes as high as 0.168 cm 3 /g. These materials serve as great catalysts providing excellent yields of imine via amine coupling, having first-order kinetics with a turnover number as good as 27.93 with a slight decrease to 22.04 even after the fourth cycles. Surface hydroxyl species on the catalyst aid in the solid acid catalysis to jump-start the reaction.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Vapor Phase Infiltration Improves Thermal Stability of Organic Layers in Perovskite Solar Cells

Despite the rapid increase in power conversion efficiency (PCE) of perovskite solar cells (PSCs) over the past decade, stability remains a major roadblock to commercialization. Here, this work shows vapor phase infiltration (VPI) as a tool to create hybrid organic–inorganic layers that improve the stability of organic charge transport layers, such as hole-selective spiro-OMeTAD in PSCs and in other organic electronic devices. Using X-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), and grazing incident wide-angle X-ray scattering (GIWAXS), we identify that infiltration of TiO x via VPI hinders the crystallization of the spiro-OMeTAD layer by likely preventing the π–π stacking of the molecules. Infiltrated PSCs retained more than 80% of their original efficiency after an operando stability test of 200 h at 75 °C, double the efficiency retained by devices without infiltration, in which the efficiency rapidly decreases in the first 50 h. This work provides a blueprint for using VPI to stabilize organic charge transport layers via prevention of π–π stacking leading to deleterious crystallization that shortens device lifetimes.

14 SOLAR ENERGY↗
DOE OSTI2025

Identification and Mitigation of Inhibitory Substances Contained in High-Salinity Crude Glycerol Generated from Biodiesel Production for Polyhydroxyalkanoate Synthesis by Haloferax mediterranei

High-salinity crude glycerol generated from biodiesel production poses significant challenges to microbial valorization due to inhibitory ingredients that severely limit microbial growth. This study identified and mitigated inhibitory substances contained in high-salinity glycerol sludge to enable its conversion to polyhydroxyalkanoates (PHAs) by the extreme halophilic archaeon Haloferax mediterranei. The long-chain fatty acids (LCFAs) were consistently identified as the primary inhibitors by liquid chromatography−mass spectrometry, Fourier transform infrared spectroscopy, and ultraviolet−visible spectroscopy. Acid precipitation at pH 2 efficiently removed these LCFAs, substantially reducing the required feedstock dilution from 23 to 3 times, improving PHA titer by 40%. Furthermore, this dilution reduction also increased the feedstock salinity utilization, achieving a 46% reduction in external salt supplementation for H. mediterranei growth. In contrast, overliming and arrested anaerobic digestion were confirmed to be ineffective in inhibitor removal. This study provides deep insights into inhibitor chemistry and presents acid precipitation as an effective pretreatment strategy for waste valorization of highsalinity crude glycerol.

LC-MS↗
DOE OSTI2021

Heterometallic Ce IV / V V Oxo Clusters with Adjustable Catalytic Reactivities

Heterometallic Ce IV /M oxo clusters are underexplored yet and can benefit from synergistic properties from combining cerium and other metal cations to produce efficient redox catalysts. Herein, we designed and synthesized a series of new Ce 12 V 6 oxo clusters with different capping ligands: Ce 12 V 6 -SO 4 , Ce 12 V 6 -OTs (OTs: toluenesulfonic acid), and Ce 12 V 6 -NBSA (NBSA: nitrobenzenesulfonic acid). Single crystal X-ray diffraction (SCXRD) for all three structures reveals a Ce 12 V 6 cubane core formulated [Ce 12 (VO) 6 O 24 ] 18+ with cerium on the edges of the cube, vanadyl capping the faces, and sulfate on the corners. While infrared spectroscopy (IR), ultraviolet–visible spectroscopy (UV–vis), electrospray ionization mass spectrometry (ESI-MS), and proton nuclear magnetic resonance ( 1 H NMR) proved the successful coordination of the organic ligands to the Ce 12 V 6 core, liquid phase 51 V NMR and small-angle X-ray scattering (SAXS) confirmed the integrity of the clusters in the organic solutions. Furthermore, functionalization of the Ce 12 V 6 core with organic ligands both provides increased solubility in term of homogeneous application and introduces porosity to the assemblies of Ce 12 V 6 -OTs and Ce 12 V 6 -NBSA in term of heterogeneous application, thus allowing more catalytic sites to be accessible and improving reactivity as compared to the nonporous and less soluble Ce 12 V 6 -SO 4 . Meanwhile, the coordinated ligands also influenced the electronic environment of the catalytic sites, in turn affecting the reactivity of the cluster, which we probed by the selective oxidation of 2-chloroethyl ethyl sulfide (CEES). Furthermore, this work provides a strategy to make full use of the catalytic sites within a class of inorganic sulfate capped clusters via organic ligand introduction.

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

Phase transition mechanism and bandgap engineering of Sb2S3 at gigapascal pressures

Abstract Earth-abundant antimony trisulfide (Sb 2 S 3 ), or simply antimonite, is a promising material for capturing natural energies like solar power and heat flux. The layered structure, held up by weak van-der Waals forces, induces anisotropic behaviors in carrier transportation and thermal expansion. Here, we used stress as mechanical stimuli to destabilize the layered structure and observed the structural phase transition to a three-dimensional (3D) structure. We combined in situ x-ray diffraction (XRD), Raman spectroscopy, ultraviolet-visible spectroscopy, and first-principles calculations to study the evolution of structure and bandgap width up to 20.1 GPa. The optical band gap energy of Sb 2 S 3 followed a two-step hierarchical sequence at approximately 4 and 11 GPa. We also revealed that the first step of change is mainly caused by the redistribution of band states near the conduction band maximum. The second transition is controlled by an isostructural phase transition, with collapsed layers and the formation of a higher coordinated bulky structure. The band gap reduced from 1.73 eV at ambient to 0.68 eV at 15 GPa, making it a promising thermoelectric material under high pressure.

Cui, Zhongxun (ORCID:0000000275044177)↗
DOE OSTI2025

Quantitative insights for diagnosing performance bottlenecks in lithium–sulfur batteries

Lithium–sulfur (Li–S) batteries hold significant promise for electric vehicles and aviation due to their high energy density and cost-effectiveness. However, understanding the root causes of performance degradation remains a formidable challenge, as the interplay of multiple factors obscures key failure mechanisms. A major limitation has been the inability to quantify soluble sulfur species within practical detection limits accurately and to correlate electrochemical processes with associated physical inventory changes. Here, we introduce the high-performance liquid chromatography-ultraviolet spectroscopy and gas chromatography sequential characterization (HUGS) toolkit, capable of precisely quantifying seven distinct sulfur and polysulfide species at concentrations as low as 40 ppb. HUGS has been successfully applied to practical coin and pouch cells without requiring cell modification. Furthermore, our self-developed software, Dr HUGS, enhanced the data analysis speed by over 30 times, enabling multi-source data integration and delivering comprehensive analysis results within minutes. Using HUGS, we identify significant capacity losses from inactive lithium and sulfur during initial cycles and sulfide-rich solid–electrolyte interphase (SEI) formation on the anode during later cycles. Notably, our findings reveal that soluble polysulfides have minimal contributions to capacity loss, challenging long-standing assumptions. Moreover, HUGS demonstrates that constant-pressure setups in Li–S pouch cells improve compositional uniformity compared to constant-gap configurations. For sulfurized polyacrylonitrile (SPAN) cathodes, unique issues such as non-sulfide SEI formation and lithium pulverization are observed, which can be mitigated through localized high-concentration electrolytes to enhance lithium inventory retention. By enabling precise quantification of critical inventory components, HUGS provides transformative insights into failure mechanisms across various electrolytes and cathode chemistries, guiding rational design strategies for next-generation energy storage systems.

25 ENERGY STORAGE↗
DOE OSTI2020

Interpretative transport modeling of the WEST boundary plasma: main plasma and light impurities

Understanding impurity transport in tokamak plasmas is crucial to control radiative losses and material migration in future magnetic fusion reactors. In this work we deploy the SolEdge2D-EIRENE code to model the boundary plasma in a WEST discharge, satisfactorily reproducing measurements of both upstream and divertor plasma conditions. Additionally, the spatial distribution of oxygen, studied here as a representative light impurity, is compared to vacuum ultraviolet spectroscopy measurements acquired with an oscillating line of sight. The simulation captures a key feature of the experiment, namely a factor of sime2 higher oxygen brightness in the inner divertor region compared to the outer one. This spatial asymmetry in oxygen concentration is interpreted by analyzing the balance of friction forces and thermal gradient forces that the light impurity exchanges with the main plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗