Molecular Dynamics Simulations of Zinc Oxide Nanostructures Under Strain: I-Nanoribbons

被引：9

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：

Zinc Oxide Nanostructures; Nanoribbons; Molecular Dynamics Simulations; Emprical Atomistic Potential; Two-Dimensional Nanostructures; ZNO THIN-FILMS; ROOM-TEMPERATURE; NANOWIRES; NANORODS; HYDROGEN; GROWTH; ARRAYS;

D O I：

10.1166/jctn.2013.2664

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Structural properties of zinc oxide nanoribbons 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, namely 1 K and 300 K. It has been found that strained ZnO nanostructures undergo a structural change depending on temperature and geometry.

引用

页码：104 / 111

页数：8

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