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PhysRevLett.107.065502.pdf (506.32 kB)

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

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posted on 2023-06-08, 10:00 authored by Malcolm Heggie, C Ewels
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.

History

Publication status

  • Published

File Version

  • Published version

Journal

Physical Review Letters

ISSN

0031-9007

Publisher

American Physical Society

Issue

6

Volume

107

Page range

065502

Department affiliated with

  • Chemistry Publications

Notes

This article arose jointly from my work with a postdoc at Sussex, Dr Christopher Ewels

Full text available

  • Yes

Peer reviewed?

  • Yes

Legacy Posted Date

2012-02-06

First Open Access (FOA) Date

2016-03-22

First Compliant Deposit (FCD) Date

2016-08-17

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