A Review of Theoretical Techniques for Graphene and Graphene Nanoribbon Thermal Conductivity Prediction
A. P. Wemhoff
This article provides a review of theoretical predictions of thermal conductivity and conductance in single-layer graphene sheets and graphene nanoribbons (GNR). Included in this article are discussions on various approaches to thermal conductivity and conductance prediction and factors influencing the variety of predictions for graphene sheets and GNRs by molecular dynamics (MD) simulations. Predictions regarding the influence of vacancy defects, isotope effects, thermal rectification studies, strain effects, and phonon mode contributions are all discussed.
Keywords: Graphene, thermal conductivity, molecular dynamics.