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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

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dc.contributor.author Evecen, Meryem
dc.contributor.author Böyükata, Mustafa
dc.contributor.author Çivi, Mehmet
dc.contributor.author Güvenç, Ziya B.
dc.date.accessioned 2020-04-16T21:07:45Z
dc.date.available 2020-04-16T21:07:45Z
dc.date.issued 2005-02
dc.identifier.citation Evecen, M...et al. "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", Chinese Physics Letters, Vol.22, No.2, pp.420-423, (2005). tr_TR
dc.identifier.issn 0256-307X
dc.identifier.uri http://hdl.handle.net/20.500.12416/3242
dc.description.abstract 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 simulation method. Dissociative adsorption of an H-2 molecule on the rigid Ni(100) surface is investigated at topologically different three sites of the surface. Interaction between the molecule and Ni surface was described by a London-Eyring Polani-Sato (LEPS) potential. Dissociative chemisorption probabilities of the H-2(v, j) molecule on various sites of the surface are presented as a function of the translation energies between 0.001-1.0eV. The probabilities obtained at each collision site have unique behaviour. At lower collision energies, indirect processes enhance the reactivity, effects of the rotational excitations and impact sites on the reactivity are more pronounced. The results are compared with the available studies, The physical mechanisms underlying the results and quantum effects are discussed. tr_TR
dc.language.iso eng tr_TR
dc.publisher IOP Publishing LTD tr_TR
dc.relation.isversionof 10.1088/0256-307X/22/2/042 tr_TR
dc.rights info:eu-repo/semantics/closedAccess tr_TR
dc.subject 6-Dimensional Quantum Dynamics tr_TR
dc.subject Associative Desorption tr_TR
dc.subject Simulation Rotational Motion tr_TR
dc.subject Energy-Dependence; tr_TR
dc.subject Ni(111) Surfaces tr_TR
dc.subject Ni Clusters tr_TR
dc.subject Adsorption tr_TR
dc.subject Cu(111) tr_TR
dc.subject Hydrogen tr_TR
dc.title 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 tr_TR
dc.type article tr_TR
dc.relation.journal Chinese Physics Letters tr_TR
dc.identifier.volume 22 tr_TR
dc.identifier.issue 2 tr_TR
dc.identifier.startpage 420 tr_TR
dc.identifier.endpage 423 tr_TR
dc.contributor.department Çankaya Üniversitesi, Mühendislik Fakültesi, Elektronik ve Haberleşme Mühendisliği Bölümü tr_TR


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