• 文献标题:   Tunable electro-optical properties of doped chiral graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   ABDELSALAM H, SAROKA VA, ATTA MM, OSMAN W, ZHANG QF
  • 作者关键词:   chiral graphene nanoribbon, doping, edge/surface energy state, electric field
  • 出版物名称:   CHEMICAL PHYSICS
  • ISSN:   0301-0104 EI 1873-4421
  • 通讯作者地址:  
  • 被引频次:   5
  • DOI:   10.1016/j.chemphys.2021.111116 EA JAN 2021
  • 出版年:   2021

▎ 摘  要

The electro-optical properties of doped chiral graphene nanoribbons are investigated using first principles calculations. O-atoms on edges enhance edge reconstruction with strong C=C bonds that increase the binding energy while at the surface they break some surface bonds and decreases the binding energy. The energy gap in the former increases to 2.08 eV due to the passivation of edge electrons, while in the latter it becomes 0.07 eV. Electric field provides additional manipulation, for instance Y-field produces oscillation/decrease of the electronic and optical energy gap between the edge/surface states in undoped/O-B-O doped chiral nanoribbons.