We present a systematic study on a set of V-bearing model compounds, representative of the most common V coordination geometries and oxidation states, analysed by means of vana-dium K-edge X-ray Absorption Near Edge Spectroscopy (XANES) calculations in the Full Multiple Scattering (FMS) framework. The analysis and the calibration of the free parameters of the theory under the Muffin-Tin approximation (Muffin Tin overlap and interstitial poten-tial) has been carried out by fitting the experimental spectra with the MXAN program. The analysis shows a correlation of the fit parameters with the V coordination geometry and oxida-tion state. By making use of this correlation it is possible to approach the study of unknown V-bearing compounds with rigorous preliminary information.
|Titolo:||V K-edge XANES in V-bearing model compounds|
|Data di pubblicazione:||2015|
|Appare nelle tipologie:||Abstract atto convegno su rivista|