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Article Dans Une Revue Physical Review Letters Année : 2011

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

Viktoria V. Ivanovskaya
  • Fonction : Auteur
Alberto Zobelli
Malcolm I. Heggie
  • Fonction : Auteur
Patrick R. Briddon
  • Fonction : Auteur
Mark J. Rayson
  • Fonction : Auteur

Résumé

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.

Dates et versions

hal-00849531 , version 1 (31-07-2013)

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Citer

Viktoria V. Ivanovskaya, Alberto Zobelli, Philipp Wagner, Malcolm I. Heggie, Patrick R. Briddon, et al.. Low-Energy Termination of Graphene Edges via the Formation of Narrow Nanotubes. Physical Review Letters, 2011, 107 (6), pp.065502. ⟨10.1103/PhysRevLett.107.065502⟩. ⟨hal-00849531⟩
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