Theoretical study of structure and segregation in 38-atom Ag-Au nanoalloys

被引：34

作者：

Curley, B. C. ^{[1
]}

Rossi, G.

Ferrando, R.

Johnston, R. L.

机构：

[1] Univ Birmingham, Sch Chem, Birmingham B15 2TT, W Midlands, England

[2] Univ Genoa, Dipartimento Fis, INFM, I-16146 Genoa, Italy

[3] Univ Genoa, Dipartimento Fis, CNR, IMEM, I-16146 Genoa, Italy

来源：

EUROPEAN PHYSICAL JOURNAL D | 2007年 / 43卷 / 1-3期

关键词：

D O I：

10.1140/epjd/e2007-00091-y

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Ag-Au bimetallic "nanoalloy" clusters with 38 atoms have been studied using a Gupta many-body potential combined with a genetic algorithm search technique. Clear changes in structure are observed as a function of Ag/Au composition and there is a clear tendency for surface segregation of the Ag atoms. Cluster stability is found to increase with increasing number of Au-Au and Ag-Au bonds and the segregation has been rationalised in terms of bonds strengths and elemental surface energies.

引用

页码：53 / 56

页数：4

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