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dc.contributor.authorÖzaydın, H. Duygu
dc.contributor.authorŞahin, Hasan
dc.contributor.authorSenger, Ramazan Tuǧrul
dc.contributor.authorPeeters, François M.
dc.date.accessioned2017-06-13T13:47:21Z
dc.date.available2017-06-13T13:47:21Z
dc.date.issued2014-10
dc.identifier.citationÖzaydın, H.D., Şahin, H., Senger, R.T., and Peeters, F.M. (2014). Formation and diffusion characteristics of Pt clusters on graphene, 1H-MoS2 and 1T-TaS2. Annalen der Physik, 526(9-10), 423-429. doi:10.1002/andp.201400079en_US
dc.identifier.issn0003-3804
dc.identifier.urihttps://doi.org/10.1002/andp.201400079
dc.identifier.urihttp://hdl.handle.net/11147/5756
dc.description.abstractMany experiments have revealed that the surfaces of graphene and graphene-like structures can play an active role as a host surface for clusterization of transition metal atoms. Motivated by these observations, we investigate theoretically the adsorption, diffusion and magnetic properties of Pt clusters on three different two-dimensional atomic crystals using first principles density functional theory. We found that monolayers of graphene, molybdenum disulfide (1H-MoS2) and tantalum disulfide (1T-TaS2) provide different nucleation characteristics for Pt cluster formation. At low temperatures, while the bridge site is the most favorable site where the growth of a Pt cluster starts on graphene, top-Mo and top-Ta sites are preferred on 1H-MoS2 and 1T-TaS2, respectively. Ground state structures and magnetic properties of Ptn clusters (n = 2,3,4) on three different monolayer crystal structures are obtained. We found that the formation of Pt2 dimer and a triangle-shaped Pt3 cluster perpendicular to the surface are favored over the three different surfaces. While bent rhombus shaped Pt4 is formed on graphene, the formation of tetrahedral shaped clusters are more favorable on 1H-MoS2 and 1T-TaS2. Our study of the formation of Ptn clusters on three different monolayers provides a gateway for further exploration of nanocluster formations on various surfaces.en_US
dc.description.sponsorshipFlemish Science Foundation (FWO-Vl); Methusalem foundation of the Flemish government; FWO Pegasus Long Marie Curie Fellowshipen_US
dc.language.isoengen_US
dc.publisherWiley-Blackwellen_US
dc.relation.isversionof10.1002/andp.201400079en_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectGrapheneen_US
dc.subjectMonolayersen_US
dc.subjectTaS2en_US
dc.subjectTwo-dimensional materialsen_US
dc.subjectDiffusion characteristicsen_US
dc.titleFormation and diffusion characteristics of Pt clusters on graphene, 1H-MoS2 and 1T-TaS2en_US
dc.typearticleen_US
dc.contributor.authorIDTR2199en_US
dc.contributor.iztechauthorÖzaydın, H. Duygu
dc.contributor.iztechauthorSenger, Ramazan Tuǧrul
dc.relation.journalAnnalen der Physiken_US
dc.contributor.departmentİYTE, Fen Fakültesi, Fizik Bölümüen_US
dc.identifier.volume526en_US
dc.identifier.issue9-10en_US
dc.identifier.startpage423en_US
dc.identifier.endpage429en_US
dc.identifier.wosWOS:000343873700015
dc.identifier.scopusSCOPUS:2-s2.0-84908504658
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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