The superior effect of edge functionalization relative to basal plane functionalization of graphene in enhancing the thermal conductivity of polymer–graphene nanocomposites – a combined molecular dynamics and Green's functions study
Rajmohan Muthaiah, Fatema Tarannum, Swapneel Danayat, Roshan Sameer Annam, Avinash Singh Nayal, N. Yedukondalu, Jivtesh Garg
Abstract
). Likewise, in multilayer graphene nanoplatelets (GnPs), the thermal conductivity across the layers is even lower due to the weak van der Waals bonding between each pair of layers. Edge functionalization couples the polymer chains to the high in-plane thermal conduction pathway of graphene, thus leading to overall high thermal conductivity of the composite. Basal-plane functionalization, however, lowers the thermal resistance between the polymer and the surface graphene sheets of the nanoplatelet only, causing the heat conduction through inner layers to be less efficient, thus resulting in the basal plane scheme to be outperformed by the edge scheme. The present study enables fundamentally novel pathways for achieving high thermal conductivity polymer nanocomposites.