• 文献标题:   Influence of impurity defects on vibrational and electronic structure of graphene
  • 文献类型:   Article
  • 作  者:   SAGALIANOV IY, PRYLUTSKYY YI, TATARENKO VA, RADCHENKO TM, SUDAKOV OO, RITTER U, SCHARFF P, LE NORMAND F
  • 作者关键词:   graphene, electron do calculation, raman spectroscopy
  • 出版物名称:   MATERIALWISSENSCHAFT UND WERKSTOFFTECHNIK
  • ISSN:   0933-5137
  • 通讯作者地址:   Taras Shevchenko Natl Univ Kyiv
  • 被引频次:   0
  • DOI:   10.1002/mawe.201300086
  • 出版年:   2013

▎ 摘  要

Using the ab initio methods, boron or nitrogen doping effects on the characteristics of electron and vibrational spectrums of graphene are studied. We revealed that a mutual arrangement at the largest distance from each other is energy-preferred for these dopant atoms. Depending on their kind, one can regulate conductance and raise values of fundamental frequencies of the Raman scattering in graphene.