Influence of Size, Composition, and Chemical Order on the Vibrational Properties of Gold-Silver Nanoalloys

被引：17

作者：

Calvo, F. ^{[1
,2
]}

机构：

[1] Univ Lyon, LASIM, F-69622 Villeurbanne, France

[2] CNRS UMR 5579, F-69622 Villeurbanne, France

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2011年 / 115卷 / 36期

关键词：

AG ALLOY NANOPARTICLES; GLOBAL OPTIMIZATION; CLUSTERS; MODES;

D O I：

10.1021/jp205656m

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 vibrations of a metallic nanoparticle are strongly 55 affected by its size and shape. In the present work, the respective roles of size, chemical order, and composition have been theoretically examined in the case of gold-silver nanoalloys by means of atomistic simulations. Whereas the vibrational density of states exhibits some qualitative differences between alloyed and segregated (core-shell) particles, the breathing frequency varies smoothly but nonlinearly with composition in all cases considered. Elasticity 35 theory accounts reasonably well for the size dependencies, with finite size corrections scaling as powers of the inverse radius. These deviations are found to vary with composition through a simple quadratic expansion.

引用

页码：17730 / 17735

页数：6

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