A molecular dynamics study of the structure of water layers adsorbed on MgO(100)

Molecular dynamics simulations are performed at various temperatures (150-300 K) and coverages (1-3 layers) on the adsorption of water on a clean MgO(100) surface using semiempirical potentials. At the monolayer coverage, a number of very stable (m×n) structures are obtained which differ only by the...

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Veröffentlicht in:	The Journal of chemical physics 1998-08, Vol.109 (8), p.3245-3254
Hauptverfasser:	Marmier, A., Hoang, P. N. M., Picaud, S., Girardet, C., Lynden-Bell, R. M.
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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