Atomistic simulation of the surfaces of oxides

1 January 1989

journal article
research article
Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics

Vol. 85 (5), 541-554
https://doi.org/10.1039/f29898500541

Abstract

Recent simulation studies of the structure, energetics, dynamics and impurity segregation properties of oxide surfaces are reviewed. Results are included for MgO, CaO, SrO, Li₂O, c-ZrO₂, SrTiO₃, Al₂O₃, Fe₂O₃ and La₂CuO₄.

Keywords

STRUCTURE
ATOMISTIC
SRTIO3
LI2O
IMPURITY
MGO
AL2O3
ENERGETICS
CAO
SEGREGATION

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