A DFT Study of Ethylene Hydrogenation Reaction Mechanisms on Ni-13 Nanocluster

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dc.authorid0000-0001-6314-3365en_US
dc.contributor.authorFellah, Mehmet Ferdi
dc.contributor.authorOnal, I.
dc.date.accessioned2021-03-20T20:15:52Z
dc.date.available2021-03-20T20:15:52Z
dc.date.issued2013
dc.departmentBTÜ, Mühendislik ve Doğa Bilimleri Fakültesi, Kimya Mühendisliği Bölümüen_US
dc.description15th Nordic Symposium on Catalysis, Mariehamn, land -- JUN 16-18, 2012 -- Mariehamn, FINLANDen_US
dc.descriptionFELLAH, Mehmet Ferdi/0000-0001-6314-3365en_US
dc.description.abstractMetal nanoclusters can potentially exhibit high catalytic activity and selectivity due to not only a high number of exposed surface atoms but also active sites with different coordination numbers as compared to bulk catalyst surface. In this study ethylene hydrogenation was used as a model reaction in an effort to elaborate reactivity of small Ni nanoclusters and the ethylene hydrogenation reaction mechanism. Two mechanistic pathways; representing Eley-Rideal and Horiuti-Polanyi type of mechanism for ethylene hydrogenation reaction are studied. It has been concluded that Horiuti-Polanyi type is more favorable when compared to Eley-Rideal type.en_US
dc.identifier.doi10.1007/s11244-013-0043-0en_US
dc.identifier.endpage793en_US
dc.identifier.issn1022-5528
dc.identifier.issn1572-9028
dc.identifier.issue9-10en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage789en_US
dc.identifier.urihttp://doi.org/10.1007/s11244-013-0043-0
dc.identifier.urihttps://hdl.handle.net/20.500.12885/1246
dc.identifier.volume56en_US
dc.identifier.wosWOS:000320500200034en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.institutionauthorFellah, Mehmet Ferdi
dc.language.isoenen_US
dc.publisherSpringer/Plenum Publishersen_US
dc.relation.ispartofTopics In Catalysisen_US
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectNi nanoclusteren_US
dc.subjectDFTen_US
dc.subjectEthylene hydrogenation mechanismen_US
dc.subjectActivation barrieren_US
dc.subjectMagic numberen_US
dc.titleA DFT Study of Ethylene Hydrogenation Reaction Mechanisms on Ni-13 Nanoclusteren_US
dc.typeConference Objecten_US

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Kimya Mühendisliği Bölümü Yayın Koleksiyonu
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