Effect of vacancy defects on the thermal conductivity of graphene nanoribbons: a molecular dynamics study
by Xiao-Liang Wang; Fangwei Xie; Liqiang Zhang; Xifu Song; Tao Xi; Xialong Li; Xiuwen Yang; Ping Yang
International Journal of Materials and Structural Integrity (IJMSI), Vol. 6, No. 1, 2012

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.

Online publication date: Thu, 18-Sep-2014

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