Structural and dynamics properties of double icosahedral Pd-Ag-Pt trimetallic clusters

Basit Öğe Kaydı
dc.authoridTaran, Songul/0000-0001-8115-2169
dc.authorwosidTaran, Songul/T-4543-2019
dc.contributor.authorGarip, Ali Kemal
dc.contributor.authorTaran, Songul
dc.date.accessioned2021-12-01T18:48:38Z
dc.date.available2021-12-01T18:48:38Z
dc.date.issued2020
dc.department[Belirlenecek]en_US
dc.description.abstractUsing Monte Carlo Basin-hopping algorithm within the Gupta potential, a systematic investigation has been performed for the best chemical ordering structures of 19-atom trimetallic PdnAg(17-n)Pt2 nanoclusters with double icosahedral geometry. The structures with the lowest energy at Gupta level are then re-optimized by DFT relaxations and the DFT relaxations confirmed the lowest energy structures obtained at the Gupta level indicating the double icosahedron structure is favorable for 19-atom PdnAg(17-n)Pt2 nanoclusters. It was observed that the caloric curves exhibit a smoother transition with structural isomerizations other than a sharp jump behavior.en_US
dc.identifier.doi10.1142/S0217979220500630
dc.identifier.issn0217-9792
dc.identifier.issn1793-6578
dc.identifier.issue8en_US
dc.identifier.scopus2-s2.0-85083385334en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.urihttps://doi.org/10.1142/S0217979220500630
dc.identifier.urihttps://hdl.handle.net/20.500.12684/10576
dc.identifier.volume34en_US
dc.identifier.wosWOS:000526033800007en_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 Ben_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectOptimizationen_US
dc.subjectDFTen_US
dc.subjectmeltingen_US
dc.subjectpalladiumen_US
dc.subjectplatinumen_US
dc.subjectsilveren_US
dc.subjectGlobal Optimizationen_US
dc.subjectNanoparticlesen_US
dc.subjectAuen_US
dc.subjectDissociationen_US
dc.subjectAdsorptionen_US
dc.subjectCuen_US
dc.subjectSimulationsen_US
dc.subjectStabilitiesen_US
dc.subjectNanoalloysen_US
dc.subjectCapacityen_US
dc.titleStructural and dynamics properties of double icosahedral Pd-Ag-Pt trimetallic clustersen_US
dc.typeArticleen_US

Dosyalar

Orijinal paket
Listeleniyor 1 - 1 / 1
Küçük Resim Yok
İsim:
10576.pdf
Boyut:
2.31 MB
Biçim:
Adobe Portable Document Format
Açıklama:
Tam Metin / Full Text
İndir

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu