The chemical ordering and local pressure dependence for truncated octahedron PdAuRh nanoalloys

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dc.contributor.authorGarip, Ali Kemal
dc.contributor.authorGöçen, Tuğba
dc.contributor.authorÜnlü, Nihan
dc.date.accessioned2024-09-11T19:51:40Z
dc.date.available2024-09-11T19:51:40Z
dc.date.issued2024
dc.departmentİstanbul Gelişim Üniversitesien_US
dc.description.abstractThe optimal chemical ordering configurations of 38-atom trimetallic Pd n Au(32-n)Rh6 nanoalloys with truncated octahedron (TO) geometry were determined through Monte Carlo Basin-Hopping algorithm employing the Gupta potential, followed by local relaxations. Variations in mixing energy were assessed to compare relative stability, revealing the lowest excess energy at Pd16Au16Rh6 composition at the Gupta level. Furthermore, a comprehensive analysis of local atomic pressure was conducted, exploring the factors influencing these pressures.en_US
dc.description.sponsorshipZonguldak Blent Ecevit University Scientific Research Projects Coordinatorship [2016-22794455-02]; Zonguldak Bulent Ecevit University Scientific Research Projects Coordinatorship foundationen_US
dc.description.sponsorshipThe authors acknowledge the support from Zonguldak Bulent Ecevit University Scientific Research Projects Coordinatorship foundation with the project code 2016-22794455-02.DAS:All data that support the findings of this study are included within the article (and any supplementary files).en_US
dc.identifier.doi10.1088/1402-4896/ad607c
dc.identifier.issn0031-8949
dc.identifier.issn1402-4896
dc.identifier.issue8en_US
dc.identifier.scopus2-s2.0-85199209809en_US
dc.identifier.urihttps://doi.org/10.1088/1402-4896/ad607c
dc.identifier.urihttps://hdl.handle.net/11363/7835
dc.identifier.volume99en_US
dc.identifier.wosWOS:001271239200001en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_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.snmz20240903_Gen_US
dc.subjectnanoalloysen_US
dc.subjectlocal pressureen_US
dc.subjectchemical orderingen_US
dc.titleThe chemical ordering and local pressure dependence for truncated octahedron PdAuRh nanoalloysen_US
dc.typeArticleen_US

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