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Iron(III) as a defect in diantimony tetroxide

Moore, Elaine and Widatallah, Hisham (2007). Iron(III) as a defect in diantimony tetroxide. Materials Research Bulletin, 43(8-9) pp. 2361–2367.

DOI (Digital Object Identifier) Link: http://dx.doi.org/10.1016/j.materresbull.2007.08.005
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Abstract

Defect structures for Fe(III) in both alpha- and beta-diantimony tetroxide are explored using computer modelling techniques. A new favourable interstitial position for Fe(III) is identified, but the most energetically favourable defect reaction incorporating Fe(III) in diantimony tetroxide was found to be that in which the transition metal ion replaced an Sb(III) ion. The most favourable intrinsic defect in diantimony tetroxide is found to be an oxide ion Frenkel defect. This is considerably more favourable for the alpha form due to the asymmetric structure of this form. Incorporation of iron close to such a defect makes substitution on the Sb(III) site more favourable for the beta form.

Item Type: Journal Article
ISSN: 0025-5408
Keywords: oxides; inorganic compounds; defects; catalytic properties
Academic Unit/Department: Science > Life, Health and Chemical Sciences
Interdisciplinary Research Centre: Centre for Earth, Planetary, Space and Astronomical Research (CEPSAR)
Biomedical Research Network (BRN)
Item ID: 9655
Depositing User: Users 1688 not found.
Date Deposited: 19 Jun 2008
Last Modified: 07 Mar 2014 13:41
URI: http://oro.open.ac.uk/id/eprint/9655
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