Chemical ordering in icosahedral and truncated octahedral CoPt@Ag nanoalloys

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dc.authoridArslan, Haydar/0000-0002-6624-9314
dc.contributor.authorKeceli, Volkan
dc.contributor.authorTaran, Songul
dc.contributor.authorArslan, Haydar
dc.date.accessioned2025-10-11T20:48:21Z
dc.date.available2025-10-11T20:48:21Z
dc.date.issued2025
dc.departmentDüzce Üniversitesien_US
dc.description.abstractIn this study, the ternary alloying effects on chemical ordering and structural properties of CoPt@Ag nanoalloys were investigated. The optimization of the chemical ordering was performed for icosahedral (Ih) structures with 309 and 561 atoms, and truncated octahedral (TO) structures with 314 and 586 atoms, as they compete in size. The results show that the most stable compositions of the Ih and TO structures for each size have almost the same Co/Pt ratio. The best chemical ordering structures with smaller cores in the Ih configurations of 309 and 561 atoms generally exhibit irregular and asymmetric cores, while those with larger cores tend to have centered cores. Some compositions present a quasi-Janus arrangement in the icosahedral CoPt@Ag nanoalloys. For the TO compositions of 314 and 586 atoms, when the number of Co atoms exceeds a critical value, structural deformations begin at the surface, and the shell becomes asymmetric. With the further increasing in the number of Co atoms, the symmetries of the cores are broken, leading to deformed structures. Additionally, it was found that Co atoms show a greater preference for mixing with Pt atoms than with Ag atoms.en_US
dc.identifier.doi10.1088/1402-4896/adbd91
dc.identifier.issn0031-8949
dc.identifier.issn1402-4896
dc.identifier.issue4en_US
dc.identifier.scopus2-s2.0-105000436367en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.urihttps://doi.org/10.1088/1402-4896/adbd91
dc.identifier.urihttps://hdl.handle.net/20.500.12684/21856
dc.identifier.volume100en_US
dc.identifier.wosWOS:001447765400001en_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.snmzKA_WOS_20250911
dc.subjectnanoalloysen_US
dc.subjectchemical orderingen_US
dc.subjectoptimizationen_US
dc.titleChemical ordering in icosahedral and truncated octahedral CoPt@Ag nanoalloysen_US
dc.typeArticleen_US

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