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
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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