The effect of cation coordination on the properties of oxygen vacancies in FeSbO4
Abstract
We present a theoretical study on the stability and electronic properties of oxygen vacancies in the mixed metal
* Corresponding authors
a
School of Crystallography, Birkbeck College, University of London, Malet Street, London, UK
E-mail:
r.grau-crespo@mail.cryst.bbk.ac.uk
b Departament de Química Física i Centre de Recerca en Química Teòrica, Universitat de Barcelona, c/Martí i Franquès 1, Barcelona E-08028, Spain
c Department of Chemistry, University College London, 20 Gordon Street, London, UK
We present a theoretical study on the stability and electronic properties of oxygen vacancies in the mixed metal
R. Grau-Crespo, I. D. P. R. Moreira, F. Illas, N. H. de Leeuw and C. R. A. Catlow, J. Mater. Chem., 2006, 16, 1943 DOI: 10.1039/B518219K
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