title: Low-energy termination of graphene edges via the formation of narrow nanotubes.
abstract: We demonstrate that free graphene sheet edges can curl back on themselves, reconstructing as nanotubes. This results in lower formation energies than any other nonfunctionalized 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 neighboring bulk graphene by a chain of insulating sp(3)-carbon atoms, and introduce van Hove singularities into the graphene density of states.
authors: Institut des Matériaux Jean Rouxel, UMR CNRS, University of Nantes, France. v.ivanovskaya@gmail.com
authors: Viktoria V
authors: VV
authors: Ivanovskaya
authors: Alberto
authors: A
authors: Zobelli
authors: Philipp
authors: P
authors: Wagner
authors: Malcolm I
authors: MI
authors: Heggie
authors: Patrick R
authors: PR
authors: Briddon
authors: Mark J
authors: MJ
authors: Rayson
authors: Chris P
authors: CP
authors: Ewels