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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Local Structural Disorder in Metavanadates MV 2 O 6 (M = Zn and Cu) Synthesized by the Deep Eutectic Solvent Route: Photoactive Oxides with Oxygen Vacancies

Metavanadates MV 2 O 6–δ (M = Zn and Cu) are synthesized by using a deep eutectic solvent (DES), a mixture of hydrogen bond donor and acceptor, as a reaction medium. Dissolution of stable binary metal oxides in a DES followed by a heat treatment yields phase-pure vanadates. According to in situ powder X-ray diffraction, ternary phases (α-Zn 2 V 2 O 7 and β-Cu 2–x V 2 O 7 , x ~ 0.27) are intermediates in the reaction pathway taken. Identifying a polymorphic phase transformation temperature for CuV 2 O 6 as well as the narrow temperature range between formation and decomposition for both metavanadates allows for tackling the challenge of the synthesis of these materials. The oxygen vacancy introduced by the DES route is accompanied by the formation of reduced V 4+ and Cu + in the oxide matrix, based on X-ray photoelectron spectroscopy. These oxygen vacancies modify the vibrational modes in the corresponding Raman spectra and are also responsible for broad optical absorptions in the 1.8–1.1 eV range. The optical band gaps of the materials are found at 1.8 eV (CuV 2 O 6 ) and 2.2 eV (ZnV 2 O 6 ), approximately 0.1–0.3 eV below the values reported in the literature. The reduced band gaps and sub-band gap photon absorption are key features of the oxygen-deficient metavanadates. Surface photovoltage spectroscopy reveals that all the synthesized vanadates are n-type materials with electrons as the majority charge carriers, and photoelectrochemical measurements confirm photoanodic currents for methanol oxidation. Furthermore, these results provide insight into the synthesis and structure–property relationship of the metavanadates for their potential use as photoanodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

A Chemical Understanding of the Band Convergence in Thermoelectric CoSb 3 Skutterudites: Influence of Electron Population, Local Thermal Expansion, and Bonding Interactions

N-Type skutterudites, such as Yb x Co 4 Sb 12 , have recently been shown to exhibit high valley degeneracy with possible band convergence, explaining the excellent thermoelectric efficiency of these materials. Using a combined theoretical and experimental approach involving temperature-dependent synchrotron diffraction, molecular orbital diagrams, and computational studies, the chemical nature of critical features in the band structure is highlighted. We identify how n-type doping on the filler site induces structural changes that are observed in both the diffraction data and computational results. Additionally, we show how chemical n-type doping slightly alters the electronic band structure, moving the high-valley degeneracy secondary conduction band closer to the primary conduction band and thus inducing band convergence.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Countercations Control Local Specific Bonding Interactions and Nucleation Mechanisms in Concentrated Water-in-Salt Solutions

One of the continuing challenges presented in aqueous salt solutions is to understand ion association reactions driving dynamic demixing from solvation, complexation and solute clustering. The problems understanding this phenomenon are exacerbated in the highly-concentrated water-in-salt electrolytes, where the deficiency of water leads to a dramatic retardation of solvating water and formation of extended solvent-solute clustering networks. By probing microscopic dynamics of water and prenucleation clusters using quasi-elastic neutron scattering and proton nuclear magnetic resonance spectroscopy, we observed contrasting mechanistic specifics of ion-water mobilities in highly-concentrated Na+- vs. K+-based aluminate solutions (diffusion coefficients of 0.2 vs. 2.6?10-10m2s-1 at 293 K, respectively). The magnitude of the differences is far beyond the kosmotropic (Na+) and chaotropic (K+) effects typically understood at low ionic concentrations. The distinct crystallization mechanisms observed in analogous deuterated systems further imply that different prenucleation cluster dynamics and network packing morphologies can either frustrate or promote crystallization, as described by non-classical nucleation theory.

Wang, Hsiu-Wen↗
DOE OSTI2018

Local radiative feedbacks over the Arctic based on observed short-term climate variations

We compare various radiative feedbacks in response to short-term climate variations estimated from reanalysis, satellite, and global climate model datasets using the combined Kernel-Gregory approach over the Arctic (60-90°N). Except for the shortwave cloud feedback, all feedbacks are positive over the Arctic. Lapse rate feedback is comparable with surface albedo feedback. Relative to the tropics (30°S-30°N), the temperature feedback (lapse rate feedback plus Planck feedback deviation from its global mean) is the largest contributor to Arctic amplification among all feedbacks, followed by surface albedo feedback. The choice of meteorological fields has a small impact on the cloud feedback estimate, but different top-of-the-atmosphere clear-sky fluxes datasets can result in a wide spread of estimated cloud feedbacks. The net cloud feedback over the Arctic is positive due to a larger positive in longwave than the negative shortwave feedback, but has the largest uncertainty. Relative to the tropics, the longwave cloud feedback largely contributes to the Arctic amplification.

Zhang, Rudong↗
DOE OSTI2021

Volatile Element Evidence of Local MORB Mantle Heterogeneity Beneath the Southwest Indian Ridge, 48°–51°E

Abstract The mantle source beneath the Southwest Indian Ridge (SWIR) reflects a complex history of contamination. Magmatic volatile contents are vital tracers of these kinds of heterogeneities, which may fractionate otherwise constant volatile/non‐volatile elemental ratios, such as the H 2 O/Ce ratio. Although several studies have recently used trace element and isotopic data to address mantle source heterogeneity and magmatic processes at SWIR 48°–51°E region, volatile element constraints provide a valuable test of models for the origins of mantle heterogeneities in this region. Here, we present new data for nine rare basaltic glass samples from the 48°–51°E region, which enable careful assessment of the effects of primary versus secondary processes on the glass volatile contents. These samples are strongly affected by variable extents of carbon degassing, and shallow assimilation of Cl‐rich fluid, but also reveal consistently high H 2 O/Ce ratios (458.8 ± 14.9), among the highest in MORBs, that cannot be explained by late‐stage secondary processes, crustal assimilation, or simple melting of peridotite mantle at variable depths. Instead, the high H 2 O/Ce ratios are features of the mantle source composition. The 48°–51°E region is notably more depleted in highly incompatible trace elements relative to other regions of the SWIR, although this depletion is not apparent in H 2 O, which is similarly abundant throughout the SWIR. We link the high H 2 O/Ce ratios in these glasses with other trace element characteristics diagnostic of subduction and fluid addition, suggesting that the mantle source reflects signatures of a refractory mantle residue that previously melted within a subduction zone.

Wang, Wei↗
DOE OSTI2018

Global energetics and local physics as drivers of past, present and future monsoons

Global constraints on momentum and energy govern the variability of the rainfall belt in the intertropical convergence zone and the structure of the zonal mean tropical circulation. The continental-scale monsoon systems are also facets of a momentum- and energy-constrained global circulation, but their modern and palaeo variability deviates substantially from that of the intertropical convergence zone. The mechanisms underlying deviations from expectations based on the longitudinal mean budgets are neither fully understood nor simulated accurately. We argue that a framework grounded in global constraints on energy and momentum yet encompassing the complexities of monsoon dynamics is needed to identify the causes of the mismatch between theory, models and observations, and ultimately to improve regional climate projections. In a first step towards this goal, disparate regional processes must be distilled into gross measures of energy flow in and out of continents and between the surface and the tropopause, so that monsoon dynamics may be coherently diagnosed across modern and palaeo observations and across idealized and comprehensive simulations. Accounting for zonal asymmetries in the circulation, land/ocean differences in surface fluxes, and the character of convective systems, such a monsoon framework would integrate our understanding at all relevant scales: from the fine details of how moisture and energy are lifted in the updrafts of thunderclouds, up to the global circulations.

54 ENVIRONMENTAL SCIENCES↗