• 文献标题:   Optical properties of graphene nanoflakes: Shape matters
  • 文献类型:   Article
  • 作  者:   WETTSTEIN CM, BONAFE FP, OVIEDO MB, SANCHEZ CG
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF CHEMICAL PHYSICS
  • ISSN:   0021-9606 EI 1089-7690
  • 通讯作者地址:   Univ Nacl Cordoba
  • 被引频次:   24
  • DOI:   10.1063/1.4953172
  • 出版年:   2016

▎ 摘  要

In recent years there has been significant debate on whether the edge type of graphene nanoflakes (GNFs) or graphene quantum dots (GQDs) are relevant for their electronic structure, thermal stability, and optical properties. Using computer simulations, we have proven that there is a fundamental difference in the absorption spectra between samples of the same shape, similar size but different edge type, namely, armchair or zigzag edges. These can be explained by the presence of electronic structures near the Fermi level which are localized on the edges. These features are also evident from the dependence of band gap on the GNF size, which shows three very distinct trends for different shapes and edge geometries. Published by AIP Publishing.