• 文献标题:   Low-Energy Termination of Graphene Edges via the Formation of Narrow Nanotubes
  • 文献类型:   Article
  • 作  者:   IVANOVSKAYA VV, ZOBELLI A, WAGNER P, HEGGIE MI, BRIDDON PR, RAYSON MJ, EWELS CP
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW LETTERS
  • ISSN:   0031-9007 EI 1079-7114
  • 通讯作者地址:   Univ Nantes
  • 被引频次:   37
  • DOI:   10.1103/PhysRevLett.107.065502
  • 出版年:   2011

▎ 摘  要

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.