Interaction of O2 and N2 molecules with Au deposited on regular and defective CaO (001) surfaces: Density functional calculations

Faculty	Science	Year:	2013
Type of Publication:	ZU Hosted	Pages:	341-352
Authors:	Wael Salah AbdelHalim Staff Zu Site Abstract In Staff Site
Journal:	Thin Solid Films elsevier	Volume:

Keywords :	Interaction , , , , molecules with , deposited , regular , defective
Abstract:	The adsorption of O2 and N2 on gold atoms deposited at regular O2−site and neutral oxygen vacancy (Fs site) that is the most reactive sites of the CaO (001) surface, has been studied by means of the density functional theory calculations an

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