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 Staff Zu Site Abstract In Staff Site
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

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