CO adsorption on MgO, CaO and SrO crystals periodic Hartree–Fock calculations

Faculty	Science	Year:	2007
Type of Publication:	ZU Hosted	Pages:	8974 – 8980
Authors:	Wael Salah AbdelHalim Staff Zu Site Abstract In Staff Site
Journal:	Applied Surface Science elsevier	Volume:	22

Keywords :	, adsorption , MgO, , , , crystals periodic Hartree–Fock calculations
Abstract:	The adsorption of carbon monoxide at the defect-free (1 0 0), (1 1 0) and (2 1 0) five-atomic layer slab of the three oxides: MgO, CaO, and SrO has been investigated using the periodic Hartree–Fock level of ab initio theory, together with t

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