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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Assessment of wafer scale MoS 2 atomic layers grown by metal–organic chemical vapor deposition using organo-metal, organo-sulfide, and H 2 S precursors

Transition Metal Dichalcogenides (TMDs) are a unique class of materials that exhibit attractive electrical and optical properties which have generated significant interest for applications in microelectronics, optoelectronics, energy storage, and sensing. Considering the potential of these materials to impact such applications, it is crucial to develop a reliable and scalable synthesis process that is compatible with modern industrial manufacturing methods. Metal–organic chemical vapor deposition (MOCVD) offers an ideal solution to produce TMDs, due to its compatibility with large-scale production, precise layer control, and high material purity. Optimization of MOCVD protocols is necessary for effective TMD synthesis and integration into mainstream technologies. Additionally, improvements in metrology are necessary to measure the quality of the fabricated samples more accurately. In this work, we study MOCVD of wafer-scale molybdenum disulfide (MoS 2 ) utilizing two common chalcogen precursors, H 2 S and DTBS. We then develop a metrology platform for wafer scale samples quality assessment. For this, the coalesced films were characterized using Raman spectroscopy, atomic force microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, and Kelvin probe force microscopy. We then correlate the structural analysis of these grown films with electrical performance by using aerosol jet printing to fabricate van der Pauw test structures and assess sheet resistance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Cu site differentiation in tetracopper(I) sulfide clusters enables biomimetic N 2 O reduction

Copper clusters feature prominently in both metalloenzymes and synthetic nanoclusters that mediate catalytic redox transformations of gaseous small molecules. Such reactions are critical to biological energy conversion and are expected to be crucial parts of renewable energy economies. However, the precise roles of individual metal atoms within clusters are difficult to elucidate, particularly for cluster systems that are dynamic under operating conditions. Here, we present a metal site-specific analysis of synthetic Cu 4 (μ 4 -S) clusters that mimic the Cu Z active site of the nitrous oxide reductase enzyme. Leveraging the ability to obtain structural snapshots of both inactive and active forms of the synthetic model system, we analyzed both states using resonant X-ray diffraction anomalous fine structure (DAFS), a technique that enables X-ray absorption profiles of individual metal sites within a cluster to be extracted independently. Using DAFS, we found that a change in cluster geometry between the inactive and active states is correlated to Cu site differentiation that is presumably required for efficient activation of N 2 O gas. More precisely, we hypothesize that the Cu δ+ ∙∙∙Cu δ- pairs produced upon site differentiation are poised for N 2 O activation, as supported by computational modeling. These results provide an unprecedented level of detail on the roles of individual metal sites within the synthetic cluster system and how those roles interplay with cluster geometry to impact the reactivity function. We expect this fundamental knowledge to inform understanding of metal clusters in settings ranging from (bio)molecular to nanocluster to extended solid systems involved in energy conversion.

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

Temperature-dependent growth of hexagonal and monoclinic gallium sulfide films by pulsed-laser deposition

We demonstrate the selective, pulsed-laser deposition of hexagonal GaS and monoclinic Ga2S3 films on sapphire substrates from a single Ga 2 S 3 target in high-vacuum conditions. Growth at substrate temperatures below 550 °C causes GaS film formation, which indicates non-stoichiometric transfer from the target to the film. Surprisingly, stoichiometric transfer occurs at substrate temperatures above 650 °C with monoclinic Ga 2 S 3 as the preferred, higher S-content phase. Through a series of growth and annealing experiments, we show that GaS nucleation under S-deficient conditions leads to the preferred growth of this layered, hexagonal phase below 550 °C. Furthermore, GaS films annealed above 650 °C under high vacuum are transformed to Ga 2 S 3 , reflecting the greater stability of the monoclinic phase. By first growing Ga 2 S 3 at a higher temperature and subsequently growing GaS at a lower temperature, we can fabricate GaS/Ga 2 S 3 heterostructures in a single growth process.

36 MATERIALS SCIENCE↗
DOE OSTI2022

How transient effects can change the inferred plasma temperatures when using K-shell sulfur line ratios in a time dependent iron sulfide plasma

This paper describes how the steady state atomic kinetics approximation can underestimate the electron temperature determined from K-shell lines in ps-time-scale transient plasmas. In particular, we model the temperature determination of solid FeS targets used in opacity experiments at the Orion laser facility from the ratio of sulfur He-α to Ly-α lines. Such experiments use short-pulse lasers to heat a thin microdot of FeS buried in a plastic target to temperatures of more than 1 keV and densities of approximately 1–2 g/cm 3 . Using atomic kinetics calculations based on a temperature history from a radiation hydrodynamic simulation of the target evolution, the peak temperature inferred from the sulfur line ratios is 1.29 keV at 3.1 ps as compared with the input peak temperature of 1.41 keV at 2.0 ps. There is a time lag of 1.2 ps at the peak, and an overall 0.5 ps time lag in the temporal history of the temperature as the plasma cools over the next 10 ps.

Rilloraza, Francisco↗
DOE OSTI2021

Carotenoid biomarkers in Namibian shelf sediments: Anoxygenic photosynthesis during sulfide eruptions in the Benguela Upwelling System

Significance Anoxygenic photosynthesis by phototrophic sulfur bacteria is prevalent in microbial mat ecosystems and in restricted, highly stratified aquatic environments. This limited distribution reflects their simultaneous requirements for an anoxic habitat, reduced sulfur to supply electrons for carbon fixation, and an appropriate light regime. Although these conditions were often satisfied in ancient seas, as shown by the distinctive carotenoid and chlorophyll pigments preserved in geological samples going back as far as 1.65 billion y, we can find no record of these organisms growing in today’s generally well-ventilated oceans. An array of carotenoids in sediments from the Namibian shelf suggests that green sulfur bacteria, despite their sensitivity to oxygen, can proliferate during episodic toxic gas eruptions in the Benguela Upwelling System.

Ma, Jian↗
DOE OSTI2023

Facile and dynamic cleavage of every iron–sulfide bond in cuboidal iron–sulfur clusters

Nature employs weak-field metalloclusters to support a wide range of biological processes. The most ubiquitous metalloclusters are the cuboidal Fe–S clusters, which are comprised of Fe sites with locally high-spin electronic configurations. Such configurations enhance rates of ligand exchange and imbue the clusters with a degree of structural plasticity that is increasingly thought to be functionally relevant. Here, we examine this phenomenon using isotope tracing experiments. Specifically, we demonstrate that synthetic [Fe 4 S 4 ] and [MoFe 3 S 4 ] clusters exchange their Fe atoms with Fe 2+ ions dissolved in solution, a process that involves the reversible cleavage and reformation of every Fe–S bond in the cluster core. This exchange is facile—in most cases occurring at room temperature on the timescale of minutes—and documented over a range of cluster core oxidation states and terminal ligation patterns. In addition to suggesting a highly dynamic picture of cluster structure, these results provide a method for isotopically labeling pre-formed clusters with spin-active nuclei, such as 57 Fe. Such a protocol is demonstrated for the radical S -adenosyl- l -methionine enzyme, RlmN.

Science & Technology - Other Topics↗
DOE OSTI2021

Analysis Report documenting the Assessment of the Solubility of Lead, EDTA and other Organic Ligands in non-Sulfide systems performed under TP 08-02 and under TP 20-01

The objective of this report is to accept or reject the hypothesis that the experiments conducted under TP 08-02 Revision 0 (Ismail et al., 2008) were affected by CO 2 (g) intrusion and sample contamination. The test of the hypothesis is accomplished by comparing the experimental data collected under the protocols of TP 08-02 Revision O and TP 20-01 Revision O (Kirkes and Zhang, 2020). The protocols of TP 20-01 Revision 0 minimize the possibilities of CO 2 (g) intrusion and sample contamination. The experimental data sets obtained under both TPs will be assessed statistically to see if they are identical or not.

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

Sulfide at WIPP

Explore the source record for details and available documents.

Platte, Tim [Sandia National Laboratories (SNL-NM)↗
DOE OSTI2023

Single Crystal Growth of Synthetic Sulfide- and Phosphide-Based Minerals for Physical Measurements

In this work, we review recent advances in the use of high-temperature solution growth that allow for the growth of single crystalline samples of synthetic minerals. We outline how low-melting binary or ternary solutions are attractive solvents for solution growth and provide examples of the growth of bismuthinite (Bi 2 S 3 ), galena (PbS) and parkerite (Ni 3 Bi 2 S 2 ). We then focus on the Rh-S, Pd-S and Ni-P phase spaces to discuss how the low-melting regions near transition metal-main group eutectic compositions make excellent solvents for crystal growth of several binary and ternary minerals containing both high melting and volatile elements as well as for the discovery of new materials. We end by discussing the growth of synthetic canfieldite (Ag 8 SnS 6 ) and argyrodite (Ag 8 GeS 6 ) from Ag 2 S–Sn-S-based solutions.

58 GEOSCIENCES↗