Oxidation catalysts: a comparative simulation study of the lattice, defect and surface structure of the stannates ASnO3(A = Ca, Sr and Ba) and SnO2
- 1 January 1996
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions
- Vol. 92 (12) , 2057-2063
- https://doi.org/10.1039/ft9969202057
Abstract
Atomistic lattice simulations are used to study SnO2 and the series of stannates ASnO3(A = Ca, Sr, Ba). Among the properties considered are crystal structure, defect chemistry and oxidative non-stoichiometry, surface structure and morphology. On the basis of our calculated defect model, we suggest a possible interpretation of the photoemission spectra of Sb-doped SrSnO3.Keywords
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