• 文献标题:   A first-principles investigation of the optical spectra of oxidized graphene
  • 文献类型:   Article
  • 作  者:   SINGH N, KALONI TP, SCHWINGENSCHLOGL U
  • 作者关键词:  
  • 出版物名称:   APPLIED PHYSICS LETTERS
  • ISSN:   0003-6951
  • 通讯作者地址:   KAUST
  • 被引频次:   24
  • DOI:   10.1063/1.4781382
  • 出版年:   2013

▎ 摘  要

The electronic and optical properties of mono, di, tri, and tetravacancies in graphene are studied in comparison to each other, using density functional theory. In addition, oxidized monovacancies are considered for different oxygen concentrations. Pristine graphene is found to be more absorptive than any defect configuration at low energy. We demonstrate characteristic differences in the optical spectra of the various defects for energies up to 3 eV. This makes it possible to quantify by optical spectroscopy the ratios of the defect species present in a sample. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4781382]