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
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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