Carbon nanotube initiated formation of carbon nanoscrolls

The unique topology and exceptional properties of carbon nanoscrolls (CNSs) have inspired unconventional nanodevice concepts, yet the fabrication of CNSs remains rather challenging. Using molecular dynamics simulations, we demonstrate the spontaneous formation of a CNS from graphene on a substrate, initiated by a carbon nanotube (CNT). The rolling of graphene into a CNS is modulated by the CNT size, the carbon-carbon interlayer adhesion, and the graphene-substrate interaction. A phase diagram emerging from the simulations can offer quantitative guideline toward a feasible and robust physical approach to fabricating CNSs. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3479050]