CO adsorption on MgO, CaO and SrO crystals periodic Hartree–Fock calculations

Faculty Science Year: 2007
Type of Publication: ZU Hosted Pages: 8974 – 8980
Authors:
Wael Salah AbdelHalim
Journal: Applied Surface Science elsevier Volume: 22
Keywords : , adsorption , MgO, , , , crystals periodic Hartree–Fock calculations    
Abstract:
The adsorption of carbon monoxide at the defect-free (1 0 0), (1 1 0) and (2 1 0) five-atomic layer slab of the three oxides: MgO, CaO, and SrO has been investigated using the periodic Hartree–Fock level of ab initio theory, together with t
    
     
 
       

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