Browsing Elektronik ve Haberleşme Mühendisliği Bölümü by Subject "Hydrogen"

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Dft Study of Al Doped Cage B12hn Clusters

Böyükata, Mustafa; Güvenç, Ziya B. (Pergamon-Elsevier Science LTD, 2011-07)

Density Functional Theory (DFT) with B3LYP/6-311++g** level has been performed to investigate the electronic structures of cage B12Hn for up to n <= 12 and AlB12Hn for up to n <= 13. Moreover, the computations has been ...
Dissociative chemisorption of an H-2 (v,j) molecule on rigid Ni (100) surface: Dependence on surface topologies and initial rovibrational states of the molecules

Evecen, Meryem; Böyükata, Mustafa; Çivi, Mehmet; Güvenç, Ziya B. (IOP Publishing LTD, 2005-02)

The H-2(v,j)+Ni(100) collision system has been studied to understand the effects of the surface sites and initial rovibrational states of the molecule on molecule-surface interactions, by a quasiclassical molecular dynamic ...
Molecule-surface interaction: dissociative chemisorption of a D(2) (v=0, j=0) molecule on rigid low index Ni surfaces

Böyükata, M.; Güvenç, Ziya B. (Elsevier Science BV, 2004-08-01)

D(2) + Ni-surface collision system has been studied by a quasiclassical molecular dynamic simulation method. Dissociative adsorption of a D(2) molecule on rigid Ni(1 0 0), Ni(1 1 0) and Ni(1 1 1) surfaces are investigated. ...

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