Structural and dynamical properties of Au-Pd bimetallic nanoalloys supported on MgO(001)

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dc.authoridTaran, Songul/0000-0001-8115-2169
dc.authoridArslan, Haydar/0000-0002-6624-9314
dc.contributor.authorTaran, Songul
dc.contributor.authorArslan, Haydar
dc.date.accessioned2021-12-01T18:48:01Z
dc.date.available2021-12-01T18:48:01Z
dc.date.issued2021
dc.department[Belirlenecek]en_US
dc.description.abstractIn this study, structural and dynamical properties of Au-Pd bimetallic nanoalloys supported on MgO(001) surface were investigated. Bimetallic nanoalloys were defined with three different compositions that represents 1:1(50%-50%), 1:3(25%-75%) and 3:1(75%-25%). The putative global minimum structures of bimetallic Au-Pd nanoalloys adsorbed on MgO(001) were examined. It was obtained that Au and Pd nanoparticles exhibit a preference both (001) and (111) epitaxial grown on MgO(001) and Au-Pd bimetallic nanoalloys favour (001) epitaxy on MgO(001). The obtained lowest energy structures were used initially for melting simulations. The melting temperatures of AunPd3n nanoalloys were obtained generally higher than the melting temperatures of AunPdn and Au3nPdn nanoalloys.en_US
dc.description.sponsorshipZongul-dak Bulent Ecevit University Scientific Research FundBulent Ecevit University [2016-22794455-01]en_US
dc.description.sponsorshipWe gratefully acknowledge support of this work by the Zongul-dak Bulent Ecevit University Scientific Research Fund [grant number 2016-22794455-01].en_US
dc.identifier.doi10.1080/00268976.2021.1881180
dc.identifier.issn0026-8976
dc.identifier.issn1362-3028
dc.identifier.issue8en_US
dc.identifier.scopus2-s2.0-85100857705en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.urihttps://doi.org/10.1080/00268976.2021.1881180
dc.identifier.urihttps://hdl.handle.net/20.500.12684/10437
dc.identifier.volume119en_US
dc.identifier.wosWOS:000617240000001en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherTaylor & Francis Ltden_US
dc.relation.ispartofMolecular Physicsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectBimetallic nanoalloysen_US
dc.subjectGolden_US
dc.subjectPalladiumen_US
dc.subjectoptimizationen_US
dc.subjectmeltingen_US
dc.titleStructural and dynamical properties of Au-Pd bimetallic nanoalloys supported on MgO(001)en_US
dc.typeArticleen_US

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