MODELING OF OXIDE SURFACES

Authors
GILLAN MJ KANTOROVICH LN LINDAN PJD
Citation
Mj. Gillan et al., MODELING OF OXIDE SURFACES, Current opinion in solid state & materials science, 1(6), 1996, pp. 820-826
Citations number
47
Categorie Soggetti
Material Science","Physics, Applied","Physics, Condensed Matter
Journal title
Current opinion in solid state & materials science → ACNP
ISSN journal
13590286
Volume
1
Issue
6
Year of publication
1996
Pages
820 - 826
Database
ISI
SICI code
1359-0286(1996)1:6<820:MOOS>2.0.ZU;2-X
Abstract
Ab initio methods have led to very rapid recent progress in the modell ing of oxide surfaces. They have made important contributions to knowl edge of three areas: equilibrium surface structure; the energetics and structures associated with oxidation and reduction; and the energetic s of adsorption and dissociation of simple molecules such as H2O and H COOH.