▎ 摘　　要

The interaction of benzene molecules with various defects in graphene is studied using density functional theory enhanced by two different recent dispersion corrections. Both provide the same qualitative picture: the binding strength of benzene to the various defects is governed by steric hindrance. Our first principles calculations in combination with a simple model predict reduced stabilities of polymer-graphene nanocomposites made of reduced graphene oxides depending on the defect density. Above similar to 15% defect coverage the interaction is lowered to roughly one third as compared to pristine graphene.