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Low energy graphene edge termination via small diameter nanotube formation

Ivanovskaya, VV, Zobelli, A, Wagner, P, Heggie, MI, Briddon, PR, Rayson, MJ and Ewels, CP (2011) Low energy graphene edge termination via small diameter nanotube formation Physical Review Letters, 107 (6).

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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 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.

Item Type: Article
Divisions : Faculty of Engineering and Physical Sciences > Chemistry
Authors :
AuthorsEmailORCID
Ivanovskaya, VVUNSPECIFIEDUNSPECIFIED
Zobelli, AUNSPECIFIEDUNSPECIFIED
Wagner, PUNSPECIFIEDUNSPECIFIED
Heggie, MIUNSPECIFIEDUNSPECIFIED
Briddon, PRUNSPECIFIEDUNSPECIFIED
Rayson, MJUNSPECIFIEDUNSPECIFIED
Ewels, CPUNSPECIFIEDUNSPECIFIED
Date : 4 July 2011
Identification Number : 10.1103/PhysRevLett.107.065502
Related URLs :
Additional Information : Copyright 2009 The American Physical Society.
Depositing User : Symplectic Elements
Date Deposited : 14 Jan 2013 10:05
Last Modified : 23 Sep 2013 19:57
URI: http://epubs.surrey.ac.uk/id/eprint/745280

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