The unique topology and exceptional properties of carbon nanoscrolls (CNSs) have inspired unconventional nano-device 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.
@article{arxiv.1111.4458,
title = {Carbon Nanotube Initiated Formation of Carbon Nanoscrolls},
author = {Zhao Zhang and Teng Li},
journal= {arXiv preprint arXiv:1111.4458},
year = {2011}
}