Magnetic and binding properties of metal-divacancy complexes at MgO (001) surface: DFT calculations

Faculty Science Year: 2011
Type of Publication: ZU Hosted Pages: 397 – 405
Authors:
Journal: Physica B: Condensed Matter elsevier Volume: 3
Keywords : Magnetic , binding properties , metal-divacancy complexes , , (001)    
Abstract:
We have analyzed the magnetic and binding properties of Ni, Cr, Mo, and Pt metals deposited on the defect free and defect containing surfaces of MgO by means of density functional theory calculations and embedded clustermodel. Clusters of m
   
     
 
       

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

  • Mohamed Gamal Helmy Mohamed Abdelwahed, "Electronic Properties of Organic Complexes. 2. Reactive Azodyes", Spain, 1993 More
  • Mohamed Gamal Helmy Mohamed Abdelwahed, "Electrical Behaviour of some Azodye Mixed Ligand with Gd3+ and Er3+. b", Peru, 1994 More
  • Atef Mohamed AbdelHamid Ali Hassn, "heterocyclization of thiouracil derivative: synthesis of thiazolopyrimidines, tetrazolopyrimidines and triazolopyrimidines of potential biological activity", elsevier, 2015 More
  • Haitham Mahmoud Amin Hassan Ashry, ". Electrochemical response of natural and induced passivation of high strength duplex stainless steels in alkaline media", Journal of Solid State Electrochemistry, 2012 More
Tweet