Chemical ordering effect on structural stability of trimetallic Cu-Au-Pt nanoalloys

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dc.authoridTaran, Songul/0000-0001-8115-2169
dc.authoridArslan, Haydar/0000-0002-6624-9314
dc.authorwosidTaran, Songul/T-4543-2019
dc.contributor.authorTaran, Songul
dc.contributor.authorGarip, Ali Kemal
dc.contributor.authorArslan, Haydar
dc.date.accessioned2021-12-01T18:47:44Z
dc.date.available2021-12-01T18:47:44Z
dc.date.issued2020
dc.department[Belirlenecek]en_US
dc.description.abstractIn this study, the structural stabilities of trimetallic 55-atom icosahedral Cu-Au-Pt nanoalloys with six different nanoalloy systems were investigated. Cu-Au-Pt nanoalloy systems were defined with fixed 13 atom and 42 atom while the loading of other two type atoms varies. The most stable structures of Cu13AunPt42-n, Au13CunPt42-n, Pt(13)Au(n)Cu(42-n,)Cu(42)Au(n)Pt(13-n,)Au(42)Cu(n)Pt(13-n)and Pt(42)Au(n)Cu(13-n)nanoalloys were optimized by using Basin-Hopping algorithm. The most stable structures were obtained at the compositions Cu(13)Au(22)Pt(20)in Cu(13)Au(n)Pt(42-n)nanoalloys, Au(13)Cu(20)Pt(22)in Au(13)Cu(n)Pt(42-n)nanoalloys and Pt(13)Au(24)Cu(18)in Pt(13)Au(n)Cu(42-n)nanoalloys. For Cu42AunPt13-n, Au(42)Cu(n)Pt(13-n)and Pt(42)Au(n)Cu(13-n)nanoalloys, the most stable structures were obtained at the compositions Cu(42)Au(5)Pt(8,)Au(42)Cu(5)Pt(8)and Pt42Au12Cu1, respectively. The chemical ordering effect on optimized structures and segregation tendency of Cu, Au and Pt atoms were described by bond order parameter and order parameter (R), respectively. While segregation, mixing and transition from segregation to mixing were observed in nanoalloys with fixed 13 atom, only segregation was observed in nanoalloys with fixed 42 atom. Au and Pt atoms have a strong tendency to locate on surface and in the core region, respectively with the general tendency of Cu atoms locating closer to Pt atoms than Au atoms.en_US
dc.description.sponsorshipZonguldak Bulent Ecevit University Scientific Research Projects Coordinatorship foundationBulent Ecevit University [2016-22794455-01]en_US
dc.description.sponsorshipThe authors acknowledge the support from Zonguldak Bulent Ecevit University Scientific Research Projects Coordinatorship foundation with the project code 2016-22794455-01.en_US
dc.identifier.doi10.1088/1402-4896/aba3ab
dc.identifier.issn0031-8949
dc.identifier.issn1402-4896
dc.identifier.issue8en_US
dc.identifier.scopus2-s2.0-85088590503en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1088/1402-4896/aba3ab
dc.identifier.urihttps://hdl.handle.net/20.500.12684/10363
dc.identifier.volume95en_US
dc.identifier.wosWOS:000553723800001en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherIop Publishing Ltden_US
dc.relation.ispartofPhysica Scriptaen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjecttrimetallic nanoalloysen_US
dc.subjectcopperen_US
dc.subjectgolden_US
dc.subjectplatinumen_US
dc.subjectoptimizationen_US
dc.subjectPd-Pten_US
dc.subjectBimetallic Clustersen_US
dc.subjectMagnetic-Propertiesen_US
dc.subjectTransition-Metalsen_US
dc.subjectOptimizationen_US
dc.subjectNanoparticlesen_US
dc.subjectAgen_US
dc.subjectRhen_US
dc.subjectSegregationen_US
dc.subjectReductionen_US
dc.titleChemical ordering effect on structural stability of trimetallic Cu-Au-Pt nanoalloysen_US
dc.typeArticleen_US

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