Cl2 adsorption on supported alkali metals and on the MgO and CaO (001) supports: A DFT study

Faculty	Science	Year:	2008
Type of Publication:	ZU Hosted	Pages:	464 – 468
Authors:	Wael Salah AbdelHalim Staff Zu Site Abstract In Staff Site
Journal:	Solid State Communications elsevier	Volume:	9

Keywords :	, adsorption , supported alkali metals , , , , , , (001) supports:
Abstract:	The adsorption properties of Cl2 molecules adsorbed on Li and Na atoms supported on various sites of MgO and CaO (100) surfaces have been examined at the DFT/B3LYP level of theory using the embedded cluster model. By comparison, the adsorpt

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