• 文献标题:   Band-Gap Engineering with Hybrid Graphane-Graphene Nanoribbons
  • 文献类型:   Article
  • 作  者:   LU YH, FENG YP
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY C
  • ISSN:   1932-7447
  • 通讯作者地址:   Natl Univ Singapore
  • 被引频次:   54
  • DOI:   10.1021/jp9067284
  • 出版年:   2009

▎ 摘  要

The electronic structures of graphane nanoribbons and hybrid graphane-graphene nanoribbons were investigated using the first-principles method. Energy gaps of both zigzag and armchair graphane nanoribbons were found to increase as the nanoribbons become narrower. The hybrid graphane-graphene nanoribbons show structure dependence and tunable electronic properties. The band gap of armchair hybrid nanoribbons is dominated by its graphene section, whereas a spin-split defect level emerges in the band gap of zigzag hybrid nanoribbons, which depends on the hydrogenation of the graphane-graphene interface zigzag carbon chain. These findings provide a basis for achieving band gap engineering and controllable spin filters based only on light elements.