The chemical ordering and local pressure dependence for truncated octahedron PdAuRh nanoalloys
[ N/A ]
Tarih
2024
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Iop Publishing Ltd
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
The 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.
Açıklama
Anahtar Kelimeler
nanoalloys, local pressure, chemical ordering
Kaynak
Physica Scripta
WoS Q Değeri
N/A
Scopus Q Değeri
Cilt
99
Sayı
8