Defect effect of graphene on interface properties of copper/graphene/copper composite: A first-principles study

The introduction of defects in graphene will affect the mechanical and electrical properties composite interface. We investigate effect Stone–Wales (S-W), single-vacancy (S-V), double-vacancy (D-V) on interface copper/graphene/copper (Cu/Gr/Cu) sandwich models using first-principles study. results indicate that most forming Cu/Gr/Cu have lower formation energy than free slab. is beneficial to enhance bonding while decreasing due electron scattering. By analyzing differential charge density all with defects, we show cause changes distribution facilitate transfer between adjacent copper layers by altering atomic layer distance.