Surface functionalization on the thermal conductivity of graphene–polymer nanocomposites

Abstract

Exploring thermal transport in graphene–polymer nanocomposite is significant to its applications with better thermal properties. Interfacial thermal conductance between graphene and polymer matrix plays a critical role in the improvement of thermal conductivity of graphene–polymer nanocomposite. Unfortunately, it is still challenging to understand the interfacial thermal transport between graphene nanofiller and polymer matrix at small material length scale. To this end, using nonequilibrium molecular dynamics (NEMD) simulations, we investigate the interfacial thermal conductance of graphene–polyethylene (PE) nanocomposite. The influence of functionalization with hydrocarbon chains on the interfacial thermal conductance of graphene–polymer nanocomposites was studied, taking into account the effects of model size and thermal conductivity of graphene. An analytical model is also used to calculate the thermal conductivity of nanocomposite. The results are considered to contribute to the development of new graphene–polymer nanocomposites with tailored thermal properties.