• 文献标题:   Distinguishing different edge structures of graphene nanoribbons with Raman spectra, studied by first-principles calculations
  • 文献类型:   Article
  • 作  者:   YAN K, LI ZB, WANG WL
  • 作者关键词:   angleresolved polarized raman intensities apris, edge identification, firstprinciples calculation, graphene nanoribbon, polarized raman spectra prs
  • 出版物名称:   JOURNAL OF RAMAN SPECTROSCOPY
  • ISSN:   0377-0486 EI 1097-4555
  • 通讯作者地址:  
  • 被引频次:   1
  • DOI:   10.1002/jrs.6336 EA MAR 2022
  • 出版年:   2022

▎ 摘  要

We calculated the polarized Raman spectra (PRS) and angle-resolved polarized Raman intensities (APRIs) of graphene nanoribbons with edges terminated by functional groups C=O and C-O-C, respectively, based on first-principles calculations. The exist results of the hydrogen saturated edges are recalculated for comparison. Our results show that the edge structures could be efficiently identified by the PRS and APRI. The APRI can also identify the orientation of the graphene nanoribbons.