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
   
     
 
       

Author Related Publications

  • Wael Salah AbdelHalim, "Theoretical characterization of highly efficient dye sensitized solar cells", Taylor & Francis, 2014 More
  • Wael Salah AbdelHalim, "Ab initio characterization of Ti decorated SWCNT for hydrogen storage", elsevier, 2013 More
  • Wael Salah AbdelHalim, "DFT calculations of the CO adsorption on Mn, Fe, Co, and Au deposited at MgO (100) and CdO (100)", elsevier, 2012 More
  • Wael Salah AbdelHalim, "Role of cationic size in the optical properties of the LiCl crystal surface: theoretical study", Springer, 2012 More
  • Wael Salah AbdelHalim, "Spin quenching of Mn in complexes and CO binding with Mn deposited on MgO and CaO supports: DFT calculations", Wiley, 2012 More

Department Related Publications

  • Salah Mohammed AbdelHalim Metwally, "Controlling of H2 gas production during Zn dissolution in HCL solution", Elsevier, 2017 More
  • Ahmed Diab Abdelghafar Khater, "Environmental factors affecting the corrosion behavior of reinforcing steel. II. Role of some anions in the initiation and inhibition of pitting corrosion of steel in Ca(OH)2 solutions", Elseiver, 2010 More
  • Ahmed Fouad Mohamed Elsayed Elfarargy, "A novel synthesis of some new pyrimidine and thiazolopyrimidine derivatives for anticancer evaluation", springer, 2007 More
  • Hamada Mohamed Ahmed Kaila , "synthesis and characterization of n,n bis 2 hydroxy ethyl naphthalimide with para substituted of phenol based on charge transfer complex", elsevire, 2007 More
  • Saeed Tlb Mohammed Tlb, "Preparation and Spectroscopic Studies of Charge-Transfer Complexes of Thiamine Hydrochloride with Different Electron Acceptor", SPRINGER, 2018 More
Tweet