EFFECTS OF THE NEAREST-NEIGHBOR ENVIRONMENT OF COPPER ATOMS ON THE XANES SPECTRA OF LAYERED CHROMIUM-COPPER DISULFIDES
E. V. Korotaev1, M. M. Syrokvashin1, N. N. Peregudova1, V. V. Kanazhevskii2,3, L. N. Mazalov1,2, V. V. Sokolov1
1Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
2Novosibirsk National Research State University, Novosibirsk, Russia
3Boreskov Institute of Catalysis, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
Keywords: layered chromium-copper disulfides, crystals, XANES, finite difference method, multiple scattering method
Subsection: PROCEEDINGS OF THE CONFERENCE “X-RAY AND ELECTRONIC SPECTRA AND CHEMICAL BOND (XESCB)” NOVOSIBIRSK SCIENTIFIC CENTER, OCTOBER 7-11, 2013
Abstract
In the present work, the K absorption spectra of copper, chromium, and vanadium of layered chromium-copper disulfides CuCr1–xVxS2 (x = 0–0.4) are studied. Based on the comparison of the experimental and theoretical spectra obtained by simulation with the FDMNES program package, it is shown that copper atoms occupy tetrahedral sites, and chromium atoms and substitutional vanadium atoms occupy octahedral sites in the whole set of the samples studied.
DOI: http://dx.doi.org/10.1134/S0022476615030294
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