Low energy graphene edge termination via small diameter nanotube formation

Details Low energy graphene edge termination via small diameter nanotube formation Low energy graphene edge termination via small diameter nanotube formation

2011-07-04

arxiv.org/abs/1107.0751v1

Phys. Rev. Lett. 107, 065502 (2011)

Physics

Condensed Matter

Materials Science

To appear in Phys. Rev. Lett

Scientific paper

10.1103/PhysRevLett.107.065502

We demonstrate that free graphene sheet edges can curl back on themselves,reconstructing as nanotubes. This results in lower formation energies than any other non-functionalised edge structure reported to date in the literature. We determine the critical tube size and formation barrier and compare with density functional simulations of other edge terminations including a new reconstructed Klein edge. Simulated high resolution electron microscopy images show why such rolled edges may be difficult to detect. Rolled zigzag edges serve as metallic conduction channels, separated from the neighbouring bulk graphene by a chain of insulating sp$^3$-carbon atoms, and introduce Van Hove singularities into the graphene density of states.

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