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Ab initio characterization of Ti decorated SWCNT for hydrogen storage
Faculty
Science
Year:
2013
Type of Publication:
ZU Hosted
Pages:
140-152
Authors:
Wael Salah AbdelHalim
Staff Zu Site
Abstract In Staff Site
Journal:
International Journal of Hydrogen Energy elsevier
Volume:
1
Keywords :
, initio characterization , , decorated SWCNT , hydrogen storage
Abstract:
Characterization has been performed on basis of several physicochemical parameters. The results indicate that the preferential adsorption is on Ti atom deposited on the top site of the (5,5) armchair SWCNT with energies (0.44 and 0.71)
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Wael Salah AbdelHalim, "Theoretical characterization of highly efficient dye sensitized solar cells", Taylor & Francis, 2014
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Wael Salah AbdelHalim, "DFT calculations of the CO adsorption on Mn, Fe, Co, and Au deposited at MgO (100) and CdO (100)", elsevier, 2012
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Wael Salah AbdelHalim, "Role of cationic size in the optical properties of the LiCl crystal surface: theoretical study", Springer, 2012
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Wael Salah AbdelHalim, "Spin quenching of Mn in complexes and CO binding with Mn deposited on MgO and CaO supports: DFT calculations", Wiley, 2012
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Wael Salah AbdelHalim, "Spin quenching of transition metals deposited on MgO insulator and CdO semiconductor density functional calculations", Wiley, 2011
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