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231224s2016 xx |||||o 00| ||eng c |
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|a 10.1107/S1600577516008134
|2 doi
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|a eng
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| 100 |
1 |
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|a Benzi, Federico
|e verfasserin
|4 aut
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|a Vanadium K-edge XANES in vanadium-bearing model compounds
|b a full multiple scattering study
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|c 2016
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|a Date Completed 20.08.2018
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|a Date Revised 20.08.2018
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a A systematic study is presented on a set of vanadium-bearing model compounds, representative of the most common V coordination geometries and oxidation states, analysed by means of vanadium K-edge X-ray absorption near-edge spectroscopy calculations in the full multiple scattering (FMS) framework. Analysis and calibration of the free parameters of the theory under the muffin-tin approximation (muffin-tin overlap and interstitial potential) have been carried out by fitting the experimental spectra using the MXAN program. The analysis shows a correlation of the fit parameters with the V coordination geometry and oxidation state. By making use of this correlation it is possible to approach the study of unknown V-bearing compounds with useful preliminary information
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|a Journal Article
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|a Research Support, Non-U.S. Gov't
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|a V-bearing compounds
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|a XANES
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|a full multiple scattering theory
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| 650 |
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4 |
|a non-structural parameters
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| 700 |
1 |
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|a Giuli, Gabriele
|e verfasserin
|4 aut
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1 |
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|a Della Longa, Stefano
|e verfasserin
|4 aut
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| 700 |
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|a Paris, Eleonora
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Journal of synchrotron radiation
|d 1994
|g 23(2016), Pt 4 vom: 25. Juli, Seite 947-52
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|x 1600-5775
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| 773 |
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|g volume:23
|g year:2016
|g number:Pt 4
|g day:25
|g month:07
|g pages:947-52
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|u http://dx.doi.org/10.1107/S1600577516008134
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