Transition metal atoms on oxide supports density functional calculations

Faculty Science Year: 2009
Type of Publication: ZU Hosted Pages: 1094 – 1102
Authors:
Journal: International Journal of Quantum Chemistry Wiley Volume: 5
Keywords : Transition metal atoms , oxide supports density    
Abstract:
The adsorption properties of Cu, Ag, Ni, and Pd atoms on O2, F, and F sites of MgO, CaO, SrO, and BaO (001) surfaces have been studied by means of density functional calculations. The examined clusters were embedded in the simulated Coulo
   
     
 
       

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