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Issue 6, 2017
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Electronic structure of NixTiSe2 (0.05 ≤ x ≤ 0.46) compounds with ordered and disordered Ni

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Abstract

The electronic structure of the NixTiSe2 intercalation compounds with disordered and ordered Ni atoms is studied using photoelectron, resonant photoelectron and X-ray absorption spectroscopy, theoretical calculations of the X-ray spectra and density of electronic states. The increase in the covalent component of the chemical bond of Ni and Ti with the nearest neighbour was found with increasing nickel concentration and its ordering. A significant charge transfer from the Ni atoms to the host lattice resulting in the transformation of Ti4+ into Ti3+ occurs, while the symmetry of the crystal lattice is lowered from the hexagonal to the monoclinic one.

Graphical abstract: Electronic structure of NixTiSe2 (0.05 ≤ x ≤ 0.46) compounds with ordered and disordered Ni

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Article information


Submitted
28 Nov 2016
Accepted
29 Dec 2016
First published
04 Jan 2017

Phys. Chem. Chem. Phys., 2017,19, 4500-4506
Article type
Paper

Electronic structure of NixTiSe2 (0.05 ≤ x ≤ 0.46) compounds with ordered and disordered Ni

A. S. Shkvarin, Yu. M. Yarmoshenko, A. I. Merentsov, Yu. M. Zhukov, A. A. Titov, E. G. Shkvarina and A. N. Titov, Phys. Chem. Chem. Phys., 2017, 19, 4500
DOI: 10.1039/C6CP08130D

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