• 文献标题:   Graphene Edge from Armchair to Zigzag: The Origins of Nanotube Chirality?
  • 文献类型:   Article
  • 作  者:   LIU YY, DOBRINSKY A, YAKOBSON BI
  • 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:   Rice Univ
  • 被引频次:   117
  • DOI:   10.1103/PhysRevLett.105.235502
  • 出版年:   2010

▎ 摘  要

The energy of an arbitrary graphene edge, from armchair (A) to zigzag (Z) orientation, is derived in analytical form. It contains a "chemical phase shift'' determined by the chemical conditions at the edge. Direct atomistic computations support the universal nature of the relationship, definitive for graphene formation, and shapes of the voids or ribbons. It has further profound implications for nanotube chirality selection and possibly control by chemical means, at the nucleation stage.