What ultimately drives the wrapping, deprivation, and transfer of graphene nanosheets

This study was devoted to investigating the interactions between graphene sheets (GNSs) and metal nanowires via molecular dynamics simulations. The simulation results indicated that the element type, shape, and size of the nanowires would affect their adhering behavior and help achieve the interesting wrapping, deprivation, and transfer phenomenon of a GNS. An appropriate length-width ratio of the GNS and nanowire contributed to the formation of a helical configuration of GNS out of nanowires under the action of van der Waals interactions. Importantly, some of the GNSs could spontaneously peel off from one nanowire and re-assemble a new spiral core-shell structure on another nanowire. This deprivation and re-assembly was associated with the definite elemental selectivity, which was determined by the adsorption energy of the GNSs on the nanowires. The adsorption energy difference drove the full or partial transfer of the GNSs. This study provides deep insights into the interactions between GNSs and nanowires.