The Structural Properties Of 13-Atom Cu-Au-Pt Trimetallic Nanoalloys

Year 2019, , 1204 - 1216, 31.07.2019

Songül Taran

https://doi.org/10.29130/dubited.512614

Cited By: 3

Abstract

13 Atomlu Cu-Au-Pt Üçlü Metal Nanoalaşımların Yapısal Özellikleri

Abstract

Bu
çalışmada, 13 atomlu Cu-Au-Pt üçlü metal nanoalaşımların yapısal özellikleri, üç
farklı kompozisyon sistemi ele alınarak incelenmiştir. Cu₁Au_nPt_12-n,
Au₁Cu_nPt_12-n ve Pt₁Cu_nAu_12-n
üçlü metal kompozisyonların en kararlı yapıları Basin-Hopping algoritması
kullanılarak elde edilmiştir. Tüm kompozisyonlarda ikosahedral yapı
gözlenmiştir. Bu ikosahedral yapıların merkezini Cu ve Au atomuna göre daha
yüksek yüzey ve bağlanma enerjisi olan Pt atomu oluşturmuştur.

Keywords

Üçlü metal, Nanoalaşım, Optimizasyon

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