Local atomic and electronic structure of nanostructured condensed materials for rechargeable current sources on the basis of V2O5/Fe/LiF nanocomposite within charge-discharge cycle

Abstract

Local atomic and electronic structure of nanostructured condensed materials for rechargeable current sources on the basis of V2O5/Fe/LiF nanocomposite within charge-discharge cycle

O.E. Polozhentsev, G.B. Sukharina, A.A. Guda, V.V. Shapovalov, Yu.S. Podkovyrina, A.P. Chaynikov, A.L. Bugaev, A. Pohl

Incoming article date: 22.10.2013

In this paper we study of the local atomic and electronic structure of nanostructured condensed material for rechargeable current sources on the basis of 15mas.%V2O5/Fe/LiF nanocomposite within charge-discharge cycle. Principle component analysis (PCA) of the series of Fe K-edge spectra collected during 1 st charge showing the concentrations of the components Fe, FeF2 and V[FeV]O4. We found the changes in the V oxidation state from the analysis of the experimental Fe K- and V K- XANES spectra. Total and partial density of states of components are presented.

Keywords: nanostructured materials for rechargeable current sources, dynamics of local atomic and electronic structures, XANES, DFT