American Institute of Physics, Applied Physics Letters, 8(97), p. 081909, 2010
DOI: 10.1063/1.3479050
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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. ; Comment: 12 pages, 3 figures