• 文献标题:   Vibrational energies of graphene and hexagonal structured planar B-C complexes
  • 文献类型:   Article
  • 作  者:   LOWTHER JE, ZININ PV, MING LC
  • 作者关键词:   ab initio calculation, boron compound, electronic structure, stoichiometry, vibrational mode
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   1098-0121
  • 通讯作者地址:   Univ Witwatersrand
  • 被引频次:   23
  • DOI:   10.1103/PhysRevB.79.033401
  • 出版年:   2009

▎ 摘  要

The high energy vibrations of hexagonal sheets of BC, BC(3), and BC(7) are calculated and compared with graphene. A high energy "G" vibration (at 1559 cm(-1) in graphene) is similar in the B-C structures. Another high energy "D" vibration (around 1350 cm(-1)) is a mode not found in graphene and is attributed to a vibration that is especially sensitive to B concentration.