• 文献标题:   Excitonic properties of hydrogen saturation-edged armchair graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   WANG M, LI CM
  • 作者关键词:  
  • 出版物名称:   NANOSCALE
  • ISSN:   2040-3364
  • 通讯作者地址:   Nanyang Technol Univ
  • 被引频次:   19
  • DOI:   10.1039/c1nr10095e
  • 出版年:   2011

▎ 摘  要

First-principle density functional theory calculations with quasiparticle corrections and many body effects are performed to study the electronic and optical properties of armchair graphene nanoribbons (AGNRs) with variant edges saturated by hydrogen atoms. The "effective width" method associated with the reported AGNR family effect is introduced to understand the electronic structures. The method is further confirmed by analyses of the optical transition spectra and the exciton wavefunctions. The optical properties, including the optical transition spectra, exciton binding energies and the distribution of exciton wavefunctions, can be tuned with the hydrogen saturation edge, thus providing an effective way to control the features of the AGNRs.