Surface energetic and bonding characteristics of tetrahexahedral platinum nanocrystals enclosed by high-index facets

被引：0

作者：

Wen Yu-Hua ^{[1
,2
]}

Zhang Yang ^{[1
,2
]}

Zhu Zi-Zhong ^{[1
,2
]}

Sun Shi-Gang ^{[3
]}

机构：

[1] Xiamen Univ, Dept Phys, Xiamen 361005, Peoples R China

[2] Xiamen Univ, Inst Theoret Phys & Astrophys, Xiamen 361005, Peoples R China

[3] Xiamen Univ, Dept Chem, Coll Chem & Chem Engn, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China

来源：

CHINESE PHYSICS B | 2009年 / 18卷 / 11期

基金：

中国国家自然科学基金;

关键词：

nanocrystal; surface energy; dangling bond; molecular static calculation; SHAPE-CONTROLLED SYNTHESIS; GOLD; NANOCLUSTERS; NANOWIRES; GROWTH;

D O I：

暂无

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

This paper uses a molecular static approach with a many-body potential to investigate the surface energetic and bonding characteristics of tetrahexahedral platinum nanocrystals enclosed by high-index facets such as {210}, {310}, {410}, {520} and {730}. It mainly focuses on the effect of crystal size and surface Miller index on these characteristics. The results show that the surface energy and dangling bond density increase with decreasing diameter of tetrahexahedral nanocrystals and generally show an order of {210} > {730} > {520} > {310} > {410}. However, this order is not valid at crystal sizes below 7 nm or so. The results of corresponding surfaces are also presented for comparison.

引用

页码：4955 / 4959

页数：5

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