Thermal transport in graphene and effects of vacancy defects

Abstract

We have performed molecular dynamics simulations to investigate phonon transport in graphene at 300 K with the Green-Kubo method. We show that the thermal conductivity (TC) of pristine graphene is $2903\ifmmode\pm\else\textpm\fi{}93$ W/mK, and the out-of-plane phonon mode contribution is $1202\ifmmode\pm\else\textpm\fi{}32$ W/mK. We further investigate thermal transport in graphene with different vacancy defect concentrations, and the TC shows that it is possible to achieve a maximum of a thousandfold reduction with a high defect density.