Theoretical study of the structures and chemical ordering of CoPd nanoalloys supported on MgO(001)

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dc.contributor.authorTaran, Songül
dc.contributor.authorGarip, Ali Kemal
dc.contributor.authorArslan, Haydar
dc.date.accessioned2020-04-30T23:34:39Z
dc.date.available2020-04-30T23:34:39Z
dc.date.issued2016
dc.departmentDÜ, Fen-Edebiyat Fakültesi, Fizik Bölümüen_US
dc.descriptionTaran, Songul/0000-0001-8115-2169en_US
dc.descriptionWOS: 000389231200008en_US
dc.description.abstractMetal nanoalloys on oxide surface are a widely studied topic in surface science and technology. In this study, the structures of CoPd nanoalloys adsorbed on MgO(001) have been searched by basin-hopping global optimization method within an atomistic model. Two different sizes (34 and 38 atom) have been considered for all compositions of CoPd/MgO(001) nanoalloys. Co and Pd atoms, for all the compositions, have cube-on-cube (001) epitaxy with substrate at interface. For both sizes, we have found that Pd rich composition nanoalloys have three layers, Co rich composition nanoalloys have four layers in morphology. Excess energy and second difference in energy analyzes have been performed to investigate the relative stability of nanoalloys with respect to their size and composition.en_US
dc.description.sponsorshipBulent Ecevit UniversityBulent Ecevit University [2015 - 22794455 - 02]en_US
dc.description.sponsorshipThe authors thanks to Eng. Instr. Esin Ozdemir for careful reading of the manuscript. We gratefully acknowledge support of this work by the Bulent Ecevit University Scientific Research Fund (Grant No: 2015 - 22794455 - 02).en_US
dc.identifier.doi10.1142/S0129183116501461en_US
dc.identifier.issn0129-1831
dc.identifier.issn1793-6586
dc.identifier.issue12en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.urihttps://doi.org/10.1142/S0129183116501461
dc.identifier.urihttps://hdl.handle.net/20.500.12684/5200
dc.identifier.volume27en_US
dc.identifier.wosWOS:000389231200008en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherWorld Scientific Publ Co Pte Ltden_US
dc.relation.ispartofInternational Journal Of Modern Physics Cen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectBimetallic clustersen_US
dc.subjectglobal optimizationen_US
dc.subjecttransition metals and alloysen_US
dc.titleTheoretical study of the structures and chemical ordering of CoPd nanoalloys supported on MgO(001)en_US
dc.typeArticleen_US

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