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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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Nanodomains and Their Temperature Dependence in a Phosphonium-Based Ionic Liquid: A Single-Molecule Tracking Study
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Ambient-Pressure XPS Studies of Reactions of Alcohols on SrTiO 3 (100)
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Fabrication of Transparent-Conducting-Oxide-Coated Inverse Opals as Mesostructured Architectures for Electrocatalysis Applications: A Case Study with NiO
Highly ordered, and conductive inverse opal arrays were made with silica and subsequently coated with tin-doped indium oxide (ITO) via atomic layer deposition (ALD). We demonstrate the utility of the resulting mesostructured electrodes by further coating them with nickel oxide via ALD. The NiO-coated arrays are capable of efficiently electrochemically evolving oxygen from water. These modular, crack-free, transparent, high surface area, and conducting structures show promise for many applications including electrocatalysis, photocatalysis, and dye-sensitized solar cells.
Kinetic studies of the [NpO2(CO3)3]4- ion at alkaline conditions using 13C NMR
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Atomistic Study of Energy Funneling in the Light-Harvesting Complex of Green Sulfur Bacteria
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Noble Gas Adsorption in Copper Trimesate, HKUST-1: An Experimental and Computational Study
Abstract not provided
Interaction of Magnesium Ions with Pristine Single Layer and Defected Graphene/Water Interfaces Studied by Second Harmonic Generation
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Protonation Studies of a Tungsten Dinitrogen Complex Supported by a Diphosphine Ligand Containing a Pendant Amine
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Active edge sites in MoSe 2 and WSe 2 catalysts for the hydrogen evolution reaction: a density functional study
Density functional theory is used to derive atomic scale insights into MoSe 2 and WSe 2 catalysts under electrochemical reaction conditions.
In situ Environmental Transmission Electron Microscopy Study of Oxidation of Two-Dimensional Ti3C2 and Formation of Carbon-Supported TiO2
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U(V) in metal uranates: a combined experimental and theoretical study of MgUO[subscript 4], CrUO[subscript 4], and FeUO[subscript 4]
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Studies of CO2 hydrogenation over cobalt/ceria catalysts with in situ characterization: the effect of cobalt loading and metal-support interactions on the catalytic activity
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Integrated optical and electrical modeling of plasmon-enhanced thin film photovoltaics: A case-study on organic devices
The nanoscale light control for absorption enhancement of organic photovoltaic (OPV) devices inevitably produces strongly non-uniform optical fields. These non-uniformities due to the localized optical modes are a primary route toward absorption enhancement in OPV devices. Therefore, a rigorous modeling tool taking into account the spatial distribution of optical field and carrier generation is necessary. Presented here is a comprehensive numerical model to describe the coupled optical and electrical behavior of plasmon-enhanced polymer:fullerene bulk heterojunction (BHJ) solar cells. In this model, a position-dependent electron-hole pair generation rate that could become highly non-uniform due to photonic nanostructures is directly calculated from the optical simulations. By considering the absorption and plasmonic properties of nanophotonic gratings included in two different popular device architectures, and applying the Poisson, current continuity, and drift/diffusion equations, the model predicts quantum efficiency, short-circuit current density, and desired carrier mobility ratios for bulk heterojunction devices incorporating nanostructures for light management. In particular, the model predicts a significant degradation of device performance when the carrier species with lower mobility are generated far from the collecting electrode. Consequently, an inverted device architecture is preferred for materials with low hole mobility. This is especially true for devices that include plasmonic nanostructures. Additionally, due to the incorporation of a plasmonic nanostructure, we use simulations to theoretically predict absorption band broadening of a BHJ into energies below the band gap, resulting in a 4.8% increase in generated photocurrent.
New experimental platform to study high density laser-compressed matter
Abstract Not Provided
Direct observation of bi-alkali antimonide photocathodes growth via in operando x-ray diffraction studies
Alkali antimonides have a long history as visible-light-sensitive photocathodes. This work focuses on the process of fabrication of the bi-alkali photocathodes, K{sub 2}CsSb. In-situ synchrotron x-ray diffraction and photoresponse measurements were used to monitor phase evolution during sequential photocathode growth mode on Si(100) substrates. The amorphous-to-crystalline transition for the initial antimony layer was observed at a film thickness of 40 Å . The antimony crystalline structure dissolved upon potassium deposition, eventually recrystallizing upon further deposition into K-Sb crystalline modifications. This transition, as well as the conversion of potassium antimonide to K{sub 2}CsSb upon cesium deposition, is correlated with changes in the quantum efficiency.
Electronic and magnetic properties of manganite thin films with different compositions and its correlation with transport properties: An X-ray resonant magnetic scattering study
Here, we present x-ray resonant magnetic dichroism and x-ray resonant magnetic scattering measurements of the temperature dependence of magnetism in Pr-doped La-Ca-Mn-O films grown on (110) NdGaO{sub 3} substrates. We observed thermal hysteresis of the ferromagnetism in one film that also showed large thermal hysteresis of ∼18 K in transport measurements. While in a second film of a different nominal chemistry, which showed very small thermal hysteresis ∼3 K in transport measurements, no thermal hysteresis of the ferromagnetism was observed. These macroscopic properties are correlated with evolution of surface magnetization across metal insulator transition for these films as observed by soft x-ray resonant magnetic scattering measurements.
Note: Sample chamber for in situ x-ray absorption spectroscopy studies of battery materials
In situ x-ray absorption spectroscopy (XAS) provides element specific characterization of both crystalline and amorphous phases and enables direct correlations between electrochemical performance and structural characteristics of cathode and anode materials. In situ XAS measurements are very demanding to the design of the experimental setup. We have developed the sample chamber that provides electrical connectivity and inert atmosphere for the operating electrochemical cells and also accounts for x-ray interactions with chamber and the cell materials. The design of the sample chamber for in situ measurements is presented along with the example XAS spectra from the anode materials in operating pouch cells at Zn and Sn K-edges measured.in fluorescence and transmission modes respectively.