PhysRevLett.107.065502.pdf (506.32 kB)
Low-Energy Termination of Graphene Edges via the Formation of Narrow Nanotubes
journal contribution
posted on 2023-06-08, 10:00 authored by Malcolm Heggie, C EwelsWe 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.
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- Published
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- Published version
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Physical Review LettersISSN
0031-9007Publisher
American Physical SocietyExternal DOI
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6Volume
107Page range
065502Department affiliated with
- Chemistry Publications
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This article arose jointly from my work with a postdoc at Sussex, Dr Christopher EwelsFull text available
- Yes
Peer reviewed?
- Yes
Legacy Posted Date
2012-02-06First Open Access (FOA) Date
2016-03-22First Compliant Deposit (FCD) Date
2016-08-17Usage metrics
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