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Low-Energy Termination of Graphene Edges via the Formation of Narrow Nanotubes

Lookup NU author(s): Philipp Wagner, Professor Patrick Briddon, Dr Mark Rayson

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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.

Publication metadata

Author(s): Ivanovskaya VV, Zobelli A, Wagner P, Heggie MI, Briddon PR, Rayson MJ, Ewels CP

Publication type: Article

Publication status: Published

Journal: Physical Review Letters

Year: 2011

Volume: 107

Issue: 6

Print publication date: 05/08/2011

ISSN (print): 0031-9007

ISSN (electronic): 1079-7114

Publisher: American Physical Society

URL: http://dx.doi.org/10.1103/PhysRevLett.107.065502

DOI: 10.1103/PhysRevLett.107.065502

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