Cl2 adsorption on supported alkali metals and on the MgO and CaO (001) supports: A DFT study

Faculty Science Year: 2008
Type of Publication: ZU Hosted Pages: 464 – 468
Authors:
Wael Salah AbdelHalim
Journal: Solid State Communications elsevier Volume: 9
Keywords : , adsorption , supported alkali metals , , , , , , (001) supports:    
Abstract:
The adsorption properties of Cl2 molecules adsorbed on Li and Na atoms supported on various sites of MgO and CaO (100) surfaces have been examined at the DFT/B3LYP level of theory using the embedded cluster model. By comparison, the adsorpt
    
     
 
       

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

  • Ahmed Fouad Mohamed Elsayed Elfarargy, "Facile one-pot synthesis and in silico study of new heterocyclic scaffolds with 4-pyridyl moiety: Mechanistic insights and X-ray crystallographic elucidation", celpress, 2024 More
  • Akram Mohammed Aldedamony, "Spectrophotometric determination of benzydamine HCl, levamisole HCl and mebeverine HCl through ion-pair complex formation with methyl orange", elsevier, 2008 More
  • Ayman AboulFotouh Gouda Sallem, "Implementation of analytical quality by design concepts for the optimization of quantitative 1H nuclear magnetic resonance (1 H-qNMR) method for quantitation of novel anti-covid drugs (molnupiravir and favipiravir) in their pharmaceutical dosage forms", United States, 2024 More
  • Abdullah Elsayed Abdullah Hassan, "Implementation of analytical quality by design concepts for the optimization of quantitative 1H nuclear magnetic resonance (1 H-qNMR) method for quantitation of novel anti-covid drugs (molnupiravir and favipiravir) in their pharmaceutical dosage forms", United States, 2024 More
  • Sami Mahmoud Mohamed Ali Megharbel, "Synthesis of N,N′-bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3-oxopyrazol-4-yl) sebacamide that ameliorate osteoarthritis symptoms and improve bone marrow matrix structure and cartilage alterations induced by monoiodoacetate in the rat model: “Suggested potent anti-inflammatory agent against COVID-19”", Sage, 2020 More
Tweet