• 文献标题:   Electronic and optical properties of metal decorated nitrogen-doped vacancy defects in graphene
  • 文献类型:   Article
  • 作  者:   BUONOCORE F, LISI N, PULCI O
  • 作者关键词:   ab initio calculation, saturable absorption, light harvesting, nitrogen doped graphene, metal complex
  • 出版物名称:   JOURNAL OF PHYSICSCONDENSED MATTER
  • ISSN:   0953-8984 EI 1361-648X
  • 通讯作者地址:   ENEA
  • 被引频次:   1
  • DOI:   10.1088/1361-648X/ab0bf9
  • 出版年:   2019

▎ 摘  要

We present a first principles study of the stability, and of the electronic and optical properties of graphene with nitrogen doped vacancies. Moreover, we use the vacancies as anchoring sites for Mg, Zn, Pd al Pt atoms and vary the concentration of defects. Decoration of the defects with metal atoms produces semi-metallic systems for any studied size of the cell, with linear bands crossing at the Fermi level. The peculiar electronic properties of massless Dirac fermions in graphene are hence kept, although with anisotropic Fermi velocities. New sharp peaks appear in the optical conductivity in the visible range, thus strongly enhancing the optical response of graphene.