• 文献标题:   Cohesive-Energy-Resolved Bandgap of Nanoscale Graphene Derivatives
  • 文献类型:   Article
  • 作  者:   WEN Z, LUO JS, ZHU YF, JIANG Q
  • 作者关键词:   bandgap, cohesive energy, graphene derivative, quantum dot, thermodynamic
  • 出版物名称:   CHEMPHYSCHEM
  • ISSN:   1439-4235 EI 1439-7641
  • 通讯作者地址:   Jilin Univ
  • 被引频次:   1
  • DOI:   10.1002/cphc.201402125
  • 出版年:   2014

▎ 摘  要

With a size-dependent cohesive energy formula for two-dimensional coordinated materials, the bandgap variation in quantum dots and nanoribbons of graphene derivatives, such as graphane, fluorographene and graphene oxides, is investigated. The bandgap is found to increase substantially as the diameter or width of the nano-sized material decreases. The bandgap variation is attributed to the change in cohesive energy of edge carbon atoms, and is associated with the physicochemical nature and degree of edge saturation. These predictions agree with previously reported computer simulation results, and have potential application in wide-band optics and optoelectronics.