Transition Metal Oxide Chemistry:  Electronic Structure Study of WO3, ReO3, and NaWO3

Corà, F.; G. Stachiotti, M.; Richard A. Catlow, C.; O. Rodriguez, Carlos

doi:10.1021/jp963724z

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Transition Metal Oxide Chemistry: Electronic Structure Study of WO3, ReO3, and NaWO3

Published in The Journal of Physical Chemistry B • May 1, 1997

Authors:

F. Corà

M. G. Stachiotti

C. Richard A. Catlow

Abstract

In this paper, we present the results of electronic structure, ab initio calculations performed on ReO 3, WO 3, and the stoichiometric tungsten bronze NaWO 3 . We examine the relation between the structural and the electronic properties of the three materials and comment on the solid state chemistry...

Subject

Antibonding molecular orbital

Electronic structure

Transition metal

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