Effect of vacancy defects on the thermal conductivity of graphene nanoribbons: a molecular dynamics study. (1st January 2012)

• Record Type: Journal Article
• Authors: Wang, Xiao-Liang; Xie, Fangwei; Zhang, Liqiang; Song, Xifu; Xi, Tao; Li, Xialong; Yang, Xiuwen; Yang, Ping
• Is Part Of: International journal of materials and structural integrity. Volume 6:Number 1(2012)
• Page Start: 26
• Page End: 35
• Publication Date: 2012-01-01
• Subjects: graphene nanoribbons -- thermal conductivity -- vacancy defects -- molecular dynamics; Materials -- Testing -- Periodicals; Strength of materials -- Periodicals; Structural dynamics -- Periodicals; Structural analysis (Engineering) -- Periodicals; 620.112
• Languages: English
• ISSNs: 1745-0055

Abstract

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.