Self-Healing of Stone-Wales Defects in Boron Nitride Monolayer by Irradiation: Ab Initio Molecular Dynamics Simulations

被引：8
|
作者：
Xue Shu-Wen [1 ]
Chen Jian [1 ]
Zhang Jun [1 ]
机构：
[1] Zhanjiang Normal Coll, Dept Phys, Zhanjiang 524048, Peoples R China
来源：
CHINESE PHYSICS LETTERS | 2013年 / 30卷 / 10期
基金：
中国博士后科学基金;
关键词：
BN NANOTUBES; GRAPHENE;
D O I：
10.1088/0256-307X/30/10/103102
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
We show an effective method of healing the Stone-Wales (SW) defects through low energy electron irradiation using ab initio molecular dynamics simulation. The SW defects can be healed by irradiation through bond rotation. Although the healing energy shows an anisotropic behavior, it is lower than the displacement threshold energy. The healing of the SW defect through electron irradiation can be effectively used in other sp(2)-bonded materials.
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页数：4
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