DFT calculations of the CO adsorption on Mn, Fe, Co, and Au deposited at MgO (100) and CdO (100)

Faculty	Science	Year:	2012
Type of Publication:	ZU Hosted	Pages:	9876– 9890
Authors:	Wael Salah AbdelHalim Staff Zu Site Abstract In Staff Site
Journal:	Applied Surface Science elsevier	Volume:	24

Keywords :	, calculations , , , adsorption , , , , , , deposited , , (100) , , (100)
Abstract:	Density functional calculations and the embedded cluster model have been utilized to examine the adsorption properties of CO molecules adsorbed on Mn, Fe, Co, and Au atoms deposited on O2−, F, and F+ sites of MgO and CdO terrace surfaces. T

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