Growth and energetic stability of AgNi core-shell clusters

被引：70

作者：

Baletto, F

Mottet, C

Rapallo, A

Rossi, G

Ferrando, R

机构：

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

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

[3] CNR, Ist Studio Macromol, Sez Genova, I-16146 Genoa, Italy

来源：

SURFACE SCIENCE | 2004年 / 566卷

关键词：

clusters; growth; molecular dynamics; nickel; silver; alloys;

D O I：

10.1016/j.susc.2004.05.044

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The growth of AgNi clusters is studied by means of Molecular Dynamics simulations at sizes between 200 and 300 atoms. It is found that core-shell structure with an Ni core and an Ag external shell are the most favorable in good agreement with experimental data. Core-shell structures energetics is studied also by a global optimization genetic algorithm, which predicts that the global minimum is an Ni core covered by an Ag shell already at small sizes. (C) 2004 Elsevier B.V. All rights reserved.

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页码：192 / 196

页数：5

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