• 文献标题:   Group IV Graphene- and Graphane-Like Nanosheets
  • 文献类型:   Article
  • 作  者:   GARCIA JC, DE LIMA DB, ASSALI LVC, JUSTO JF
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY C
  • ISSN:   1932-7447
  • 通讯作者地址:   Univ Sao Paulo
  • 被引频次:   185
  • DOI:   10.1021/jp203657w
  • 出版年:   2011

▎ 摘  要

We performed a first-principles investigation on the structural and electronic properties of group IV (C, SiC, Si, Ge, and Sn) graphene-like sheets in flat and buckled configurations and the respective hydrogenated or fluorinated graphane-like ones. The analysis on the energetics, associated with the formation of those structures, showed that fluorinated graphane-like sheets are very stable and should be easily synthesized in the laboratory. We also studied the changes of the properties of the graphene-like sheets as a result of hydrogenation or fluorination. The interatomic distances in those graphane-like sheets are consistent with the respective crystalline ones, a property that may facilitate integration of those sheets within three-dimensional nanodevices.