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Molecule-surface interaction: dissociative chemisorption of a D(2) (v=0, j=0) molecule on rigid low index Ni surfaces

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dc.contributor.author Böyükata, M.
dc.contributor.author Güvenç, Ziya B.
dc.date.accessioned 2020-04-18T13:27:28Z
dc.date.available 2020-04-18T13:27:28Z
dc.date.issued 2004-08-01
dc.identifier.citation Boyukata, M.; Güvenç, Ziya B., "Molecule-surface interaction: dissociative chemisorption of a D(2) (v=0, j=0) molecule on rigid low index Ni surfaces" Surface Science, Vol.562, No.1-3, pp.183-194, (2004). tr_TR
dc.identifier.issn 0039-6028
dc.identifier.uri http://hdl.handle.net/20.500.12416/3335
dc.description.abstract 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. Interactions between the molecule and Ni surfaces were described by a LEPS potential. The contour plots of the LEPS function is presented as functions of the distances between the center of mass of the D(2) and surface, and between the two deuterium atoms (D-D) for topologically different sites of the surfaces. Dissociative chemisorption probabilities of the D(2) (nu = 0, j = 0) molecule on various sites of the surfaces are presented for different translation energies between 0.001 and 1.0 eV. The probabilities obtained at each collision site have unique behavior. At low collision energies indirect processes enhance the reactivity. The results are compared with the available studies. The physical mechanisms underlying the results are discussed. tr_TR
dc.language.iso eng tr_TR
dc.publisher Elsevier Science BV tr_TR
dc.relation.isversionof 10.1016/j.susc.2004.05.120 tr_TR
dc.rights info:eu-repo/semantics/closedAccess tr_TR
dc.subject 6-Dimensional Quantum Dynamics tr_TR
dc.subject Nı(111) Surfaces tr_TR
dc.subject Metal-Surfaces tr_TR
dc.subject H-2 tr_TR
dc.subject Adsorption tr_TR
dc.subject Clusters tr_TR
dc.subject Hydrogen tr_TR
dc.subject D2 tr_TR
dc.subject Dependence tr_TR
dc.subject Ni(100) tr_TR
dc.title Molecule-surface interaction: dissociative chemisorption of a D(2) (v=0, j=0) molecule on rigid low index Ni surfaces tr_TR
dc.type article tr_TR
dc.relation.journal Surface Science tr_TR
dc.identifier.volume 562 tr_TR
dc.identifier.issue 1-3 tr_TR
dc.identifier.startpage 183 tr_TR
dc.identifier.endpage 194 tr_TR
dc.contributor.department Çankaya Üniversitesi, Mühendislik Fakültesi, Elektronik ve Haberleşme Mühendisliği Bölümü tr_TR


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