Theoretical studies of cation adsorption on hydroxylated alpha A1(2)O(3) (corundum): electronic structure calculations

Theoretical studies of cation adsorption on hydroxylated alpha A1(2)O(3) (corundum): electronic structure calculations

The adsorption of alkali metal cations on a hydroxylated corundum surface was investigated using high-level electronic structure calculations, with both cluster Hartree-Fock and periodic density-functional theory approaches. The work concentrates on the structural aspects of binding sites with three...

Disgrifiad llawn

Manylion Llyfryddiaeth
Prif Awduron:	Yong, C, Warren, M, Hillier, I, Vaughan, D
Fformat:	Journal article
Iaith:	English
Cyhoeddwyd:	2003

Eitemau Tebyg

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