• 文献标题:   Vibrational properties and Raman spectra of different edge graphene nanoribbons, studied by first-principles calculations
  • 文献类型:   Article
  • 作  者:   HU T, ZHOU J, DONG JM
  • 作者关键词:   vibrational property, graphene nanoribbon, polarized raman spectrum, firstprinciples calculation
  • 出版物名称:   PHYSICS LETTERS A
  • ISSN:   0375-9601 EI 1873-2429
  • 通讯作者地址:   Nanjing Univ
  • 被引频次:   7
  • DOI:   10.1016/j.physleta.2012.11.053
  • 出版年:   2013

▎ 摘  要

The vibrational properties and Raman spectra of graphene nanoribbons with six different edges have been studied by using the first-principles calculations. It is found that edge reconstruction leads to the emergence of localized vibrational modes and new topological defect modes, making the different edges identified by polarized Raman spectra. The radial breathing-like modes are found to be independent of the edge structures, while the G-band-related modes are affected by different edge structures. Our results suggest that the polarized Raman spectrum could be a powerful experimental tool for distinguishing the GNRs with different edge structures due to their different vibrational properties. (C) 2012 Elsevier B.V. All rights reserved.