Surface morphology and interaction between water and MgO, CaO and SrO surfaces Periodic HF and DFT calculations

Faculty Science Year: 2004
Type of Publication: ZU Hosted Pages: 53–61
Authors:
Wael Salah AbdelHalim
Journal: Applied Surface Science elsevier Volume:
Keywords : Surface morphology , interaction between water , MgO,    
Abstract:
The dissociation of water molecule at the defect free (0 0 1), (1 1 0) and (2 1 0) five-layer films of the title oxides has been investigated using the periodic HF and DFT levels of ab initio theory together with the 1  1 supercell model i
    
     
 
       

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