Structural and dynamical properties of Au-Pd bimetallic nanoalloys supported on MgO(001)
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Dosyalar
Tarih
2021
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Taylor & Francis Ltd
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
In 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.
Açıklama
Anahtar Kelimeler
Bimetallic nanoalloys, Gold, Palladium, optimization, melting
Kaynak
Molecular Physics
WoS Q Değeri
Q3
Scopus Q Değeri
Q3
Cilt
119
Sayı
8
