• 文献标题:   The positive influence of boron-doped graphene with pyridine as a probe molecule on SERS: a density functional theory study
  • 文献类型:   Article
  • 作  者:   KONG XK, CHEN QW
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF MATERIALS CHEMISTRY
  • ISSN:   0959-9428
  • 通讯作者地址:   Univ Sci Technol China
  • 被引频次:   25
  • DOI:   10.1039/c2jm32050a
  • 出版年:   2012

▎ 摘  要

The influence of defects (such as vacancy and substitution atom) on SERS of graphene has been investigated systematically. It is found that B-substituted graphene has a positive effect on SERS with an enhancement factor of 103 to 104 and a frequency shift of approximately 30 cm(-1), resulting from the electronic attraction between the positive charged substrate and the negative charged probe molecule, which forms a chemisorption interaction at the interface. The doped B atom could introduce some new excited states to the complex for charge transfer, and this is confirmed by the UV-Visible absorption spectra and charge difference densities.