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

  • Maher Abdul Rahman Shams al-Din Safty, "oxidation of maize and rice starches using potassium permenganate along with different reactants", لايوجد, 1900 More
  • Maher Abdul Rahman Shams al-Din Safty, "Gas liquid chromatographic indentification of aromatic hydrocarbons in some local crude oils", لايوجد, 1900 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, "CO adsorption on Pd atoms deposited on MgO, CaO, SrO and BaO surfaces: density functional calculations", elsevier, 2008 More
  • Walaa Helmy Fahmy Sheweny, "Synthesis, characterization and antimicrobial investigation of some moxifloxacin metal complexes", elseiver, 2011 More
Tweet