Issue 5, 1989

Atomistic simulation of the surfaces of oxides

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.

Article information

Article type
Paper

J. Chem. Soc., Faraday Trans. 2, 1989,85, 541-554

Atomistic simulation of the surfaces of oxides

W. C. Mackrodt, J. Chem. Soc., Faraday Trans. 2, 1989, 85, 541 DOI: 10.1039/F29898500541

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