Iron(III) as a defect in diantimony tetroxide

E. A. Moore, H. M. Widatallah

Research output: Contribution to journalArticle

3 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)2361-2367
Number of pages7
JournalMaterials Research Bulletin
Volume43
Issue number8-9
DOIs
Publication statusPublished - 2008

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Iron
iron
Defects
defects
Ions
Frenkel defects
Defect structures
Oxides
Transition metals
Metal ions
metal ions
interstitials
ions
Substitution reactions
transition metals
substitutes
oxides

Keywords

  • A. Inorganic compounds
  • A. Oxides
  • D. Catalytic properties
  • D. Defects

ASJC Scopus subject areas

  • Ceramics and Composites
  • Materials Chemistry

Cite this

Iron(III) as a defect in diantimony tetroxide. / Moore, E. A.; Widatallah, H. M.

In: Materials Research Bulletin, Vol. 43, No. 8-9, 2008, p. 2361-2367.

Research output: Contribution to journalArticle

Moore, E. A. ; Widatallah, H. M. / Iron(III) as a defect in diantimony tetroxide. In: Materials Research Bulletin. 2008 ; Vol. 43, No. 8-9. pp. 2361-2367.
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