Effect of vacancy defects on the thermal conductivity of graphene nanoribbons: A molecular dynamics study

被引：2
|
作者：
机构：
[1] Laboratory of Materials and Micro-Structural Integrity, School of Mechanical Engineering, Jiangsu University, Zhenjiang
[2] Laboratory of Advanced Design, School of Mechanical Engineering, Jiangsu University, Zhenjiang
来源：
Yang, P. (yangpingdm@ujs.edu.cn) | 1600年 / Inderscience Publishers卷 / 06期
关键词：
Graphene nanoribbons; Molecular dynamics; Thermal conductivity; Vacancy defects;
D O I：
10.1504/IJMSI.2012.046185
中图分类号：
学科分类号：
摘要：
The reverse non-equilibrium molecular dynamics (RNEMD) has been performed to compute the thermal conductivity of armchair graphene nanoribbons (AGNRS) affected by vacancy defects. One- and two-atom vacancy defects are observed on the thermal conductivity of AGNRS. We find that one-atom vacancy defects can decrease the thermal conductivity significantly. Two-atom vacancy defects are located along the axial direction of AGNRS, and the thermal conductivity drops with the number of atoms between two-atom vacancies defects increasing. When two-atom vacancy defects are located along the longitudinal direction of AGNRS, the reduction of the thermal conductivity of AGNRS shows a pan shape. Copyright © 2012 Inderscience Enterprises Ltd.
引用
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页码：26 / 35
页数：9
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