Theoretical study of the structures and chemical ordering of CoPd nanoalloys supported on MgO(001)
Yükleniyor...
Dosyalar
Tarih
2016
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
World Scientific Publ Co Pte Ltd
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
Metal nanoalloys on oxide surface are a widely studied topic in surface science and technology. In this study, the structures of CoPd nanoalloys adsorbed on MgO(001) have been searched by basin-hopping global optimization method within an atomistic model. Two different sizes (34 and 38 atom) have been considered for all compositions of CoPd/MgO(001) nanoalloys. Co and Pd atoms, for all the compositions, have cube-on-cube (001) epitaxy with substrate at interface. For both sizes, we have found that Pd rich composition nanoalloys have three layers, Co rich composition nanoalloys have four layers in morphology. Excess energy and second difference in energy analyzes have been performed to investigate the relative stability of nanoalloys with respect to their size and composition.
Açıklama
Taran, Songul/0000-0001-8115-2169
WOS: 000389231200008
WOS: 000389231200008
Anahtar Kelimeler
Bimetallic clusters, global optimization, transition metals and alloys
Kaynak
International Journal Of Modern Physics C
WoS Q Değeri
Q3
Scopus Q Değeri
Q3
Cilt
27
Sayı
12
