Molecular Dynamics Simulations of ZnO Nanostructures Under Strain: II-Nanorods

被引：8

作者：

Kilic, Mehmet Emin ^{[1
]}

Erkoc, Sakir ^{[1
]}

机构：

[1] Middle E Tech Univ, Dept Phys, TR-06800 Ankara, Turkey

来源：

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE | 2013年 / 10卷 / 01期

关键词：

ZnO; Zinc Oxide Nanostructures; Nanorods; Molecular Dynamic Simulation; Emprical Atomistic Potential; ROOM-TEMPERATURE; NANOWIRES; GROWTH; FILMS;

D O I：

10.1166/jctn.2013.2665

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Structural properties of zinc oxide nanorods have been investigated by performing classical molecular dynamics simulations. Atomistic potential energy function has been used to represent the interactions among the atoms. Strain has been applied to the generated ZnO nanostructures along their length, which has been realized at two different temperatures, 1 K and 300 K. It has been found that ZnO nanostructures following strain application undergo a structural change depending on temperature and geometry.

引用

页码：112 / 118

页数：7

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