Molecular simulations of interacting nanocrystals

被引：155

作者：

Schapotschnikow, Philipp ^{[1
]}

Pool, Rene ^{[1
]}

Vlugt, Thijs J. H. ^{[1
]}

机构：

[1] Delft Univ Technol, Proc & Energy Lab, NL-2628 CA Delft, Netherlands

来源：

NANO LETTERS | 2008年 / 8卷 / 09期

关键词：

D O I：

10.1021/nl8017862

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We compute the potential of mean force for two gold nanocrystals capped by alkylthiols from atomistic simulations and show how variables such as temperature, capping molecule length, and the presence of solvent affect these interactions. Our main findings are (1) the equilibrium distance in vacuum always equals similar to 1.25 times the core diameter, (2) incomplete capping layers promote sintering, and (3) the presence of a good solvent results in purely repulsive interactions.

引用

页码：2930 / 2934

页数：5

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