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Showing 1 to 20 of 103 for “"XANES"”.
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Correlated NanoSIMS, TEM, and XANES Studies of Presolar Grains
… utilizing X-ray Absorption Near Edge Structure (XANES), with a focus on connecting these correlated laboratory studies to astrophysical phenomena. The correlated isotopic, chemical, and microstructural studies of individual presolar grains provide the most detailed description of their formation …
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Probing the reaction coordinate of photoinduced spin-crossover with femtosecond M-edge XANES
… is studied using femtosecond M-edge XANES with a tabletop instrument based on a high-harmonic generation source. This technique probes the oxidation state, spin state and ligand field of the metal center with sub-50 fs time resolution, making it a powerful tool to study the ultrafast …
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XANES und MEXAFS an magnetischen Übergangsmetalloxiden : Entwicklung eines digitalen Lock-In-XMCD-Experiments mit Phasenschieber
… Messungen an den jeweiligen Absorptionskanten (XANES: X-ray Absorption Near Edge Structure) sowie im kantenfernen Bereich (MEXAFS: Magnetic Extended X-ray Ab-sorption Fine Structure) im Hinblick auf die Klärung ihrer magnetischen (Unter-)Struktur untersucht. Bei Lanthanmanganaten wird sowohl im …
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Electrically Polarised Electrodes in DMSO and DMF electrolytes of Pseudohalide Salts: In situ IR studies supported by EXAFS/XANES and other techniques
… X-ray absorption near edge spectroscopy (XANES) and extended X-ray absorption fine structure (EXAFS) were used to obtain direct information on the coordination state of electrogenerated products. From EXAFS/XANES data, the Ni(II)/NCS⁻ and NCSe⁻ complexes were confirmed to be octahedral …
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Ab initio computational applications of electronic structure and spectroscopic Properties of bulk Crystalline materials
… [x-ray absorption near edge structure (XANES) and optical dielectric functions] of elemental boron were systematically studied using an ab initio orthogonalized linear combination of atomic orbitals (OLCAO) method. Based on available experimental data, the calculated electronic …
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Electronic Stucture of Elemental Boron
… are the Xray Absorption Near Edge Structure (XANES) spectra which can provide information about the relationship between atomic structure and electronic structure. The calculated XANES spectra of α-B12 agrees with experimental data in terms of peak position and peak height. Based on the …
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XAS studies of metal speciation in hydrothermal fluids
… properties for predominant species. Ab initio XANES simulation methods were used in this study to provide independent or complementary information about the nature (stoichiometry and geometry) of aqueous complexes. Application of this technique to the calculation of XANES spectra of Mo(VI) …
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Ultrafast photophysics of transition metal coordination complexes studied with femtosecond extreme ultraviolet transient absorption spectroscopy
… via high-harmonic generation, allowing M-edge XANES measurements to be performed as an in-lab technique. This developing technique is coupled with semi-empirical ligand field multiplet (LFM) simulations to enable the application of tabletop M-edge XANES to resolve the metal-specific ultrafast …
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Chemistry Of Antiwear Films By X-ray Absorption Spectroscopy
… absorption spectroscopy (including EXAFS and XANES) has been mainly used because of its high resolution, low detection limit and non-destructive characteristics.;This is the first time that P and S L-edge XANES spectroscopy has been used to analyze antiwear films and thermal films. About two …
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Geometrical and electronic structure of metal oxide nanoparticles on silica and alumina
… to provide surrogates for fly ash. We collected XANES and EXAFS data, which are useful for characterizing disordered mixtures where the metal is a minor component. The effect of particle size on structural properties was studied with copper oxide nanoparticles on fumed silica. XANES data …
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Soft x-ray near edge spectroscopy of cuprous oxide and silicon-germanium alloys
… soft x-ray absorption near edge structure (XANES) spectra have been obtained for CU20 and for SiGe1-x semiconductor alloys, xas a function of composition x, using the methods of partial electron yield and thin film absorption. The shapes of the near edge features provide a unique fingerprint …
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DEVELOPMENT OF NANO-STRUCTURED METAL OXIDES/GRAPHENE FOR ENERGY APPLICATIONS
… x-ray adsorption near edge spectroscopy (XANES). The HEXRD results clearly show that V2O5 undergoes phase transformations during the first Li+ ion intercalation (i.e. discharge) process. The analysis of the XANES data suggests that the average oxidation state of vanadium in fully charged …
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DEVELOPMENT OF NANO-STRUCTURED METAL OXIDES/GRAPHENE FOR ENERGY APPLICATIONS
… x-ray adsorption near edge spectroscopy (XANES). The HEXRD results clearly show that V2O5 undergoes phase transformations during the first Li+ ion intercalation (i.e. discharge) process. The analysis of the XANES data suggests that the average oxidation state of vanadium in fully charged …
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Ultrafast extreme ultraviolet spectroscopy of transition metal dithiolate coordination complexes
… M-edge x-ray absorption near edge structure (XANES) spectroscopy using extreme ultraviolet (XUV) light is used as a tool to interrogate the evolution of the metal center in a series of transition metal dithiolate complexes. The behavior of these molecules after absorption of light has …
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Structure of cathode-electrolyte interfaces and correlation with ionic conductivity in Solid Oxide Fuel Cell devices
… X-ray Absorption Near Edge Structure (XANES) and electrochemical Impedance spectroscopy (EIS). XRD was used to evaluate the materials chemical reactivity through Rietveld analysis. SEM and X-ray microspectrscopy were used to study the cathode/electrolyte interface at micrometric scale …
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A computational study of supported rhodium catalysts
… The weighted linear combination of Rh K-edge XANES spectra computed using the three most dominant structures reproduces well the phase and shape of the oscillations of the experimental XANES spectrum, providing support for the computed structures. The second methodology is based on hybrid …
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Fundamental studies on copper zeolites for catalytic NO x abatement
… X-ray Absorption Near Edge structure (XANES) of Cu ions during standard SCR, Density Functional Theory (DFT) calculations, and titration of residual acid sites with amine titrants on this series of catalysts established isolated Cu ions ion exchanged at the framework Al sites in six …
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The high temperature geochemistry of vanadium: From isotope ratios in ocean island basalt to thermal diffusion processes at the core-mantle boundary
… and X-ray absorption near-edge spectroscope (XANES) results show: 1). The relationship between ionic size and Soret coefficient of trace element groups with different charge indicates the importance of valence state in thermal diffusion experiments; 2). XANES spectra of basaltic glass from …
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NANOSTRUCTURED MATERIALS FOR ALKALIS ION BATTERIES AND THEIR MECHANISTIC STUDIES
… mechanism is investigated by operando XANES and XRD.
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Developments of time-resolved XAFS spectroscopy techniques - applications in homogeneous catalysis
… that X-ray absorption near edge spectroscopy (XANES) directly probes molecular orbitals. The negative second derivative of these XANES data provides direct information on the energy and charge distribution within the different molecular orbitals. The corresponding orbital interaction diagrams …
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