Surface morphology and interaction between water and MgO, CaO and SrO surfaces Periodic HF and DFT calculations

Faculty	Science	Year:	2004
Type of Publication:	ZU Hosted	Pages:	53–61
Authors:	Wael Salah AbdelHalim Staff Zu Site Abstract In Staff Site
Journal:	Applied Surface Science elsevier	Volume:

Keywords :	Surface morphology , interaction between water , MgO,
Abstract:	The dissociation of water molecule at the defect free (0 0 1), (1 1 0) and (2 1 0) five-layer films of the title oxides has been investigated using the periodic HF and DFT levels of ab initio theory together with the 1 1 supercell model i

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