• 文献标题:   Fluorination-enriched electronic and magnetic properties in graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   NGUYEN DK, LIN YT, LIN SY, CHIU YH, TRAN NTT, FALIN M
  • 作者关键词:  
  • 出版物名称:   PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  • ISSN:   1463-9076 EI 1463-9084
  • 通讯作者地址:   Natl Cheng Kung Univ
  • 被引频次:   3
  • DOI:   10.1039/c7cp03893c
  • 出版年:   2017

▎ 摘  要

The feature-rich electronic and magnetic properties of fluorine-doped graphene nanoribbons are investigated by the first-principles calculations. They arise from the cooperative or competitive relations among the significant chemical bonds, finite-size quantum confinement and edge structure. There exist C-C, C-F, and F-F bonds with multi-orbital hybridizations. Fluorine adatoms can create p-type metals or concentration-and distribution-dependent semiconductors, depending on whether the pi bonding is seriously suppressed by the top-site chemical bonding. Furthermore, five kinds of spin-dependent electronic and magnetic properties cover the non-magnetic and ferromagnetic metals, non-magnetic semiconductors, and anti-ferromagnetic semiconductors with/without spin splitting. The diverse essential properties are clearly revealed in the spatial charge distribution, spin density, and orbital-projected density of states.