• 文献标题:   The ultimate diamond slab: GraphAne versus graphEne
  • 文献类型:   Article, Proceedings Paper
  • 作  者:   MUNOZ E, SINGH AK, RIBAS MA, PENEV ES, YAKOBSON BI
  • 作者关键词:   diamond, graphene, nanomechanic, electronic, thermal transport
  • 出版物名称:   DIAMOND RELATED MATERIALS
  • ISSN:   0925-9635 EI 1879-0062
  • 通讯作者地址:   Rice Univ
  • 被引频次:   55
  • DOI:   10.1016/j.diamond.2010.01.007
  • 出版年:   2010

▎ 摘  要

In this article, we present a comprehensive characterization of three carbon nanomaterials of technological interest: graphene, graphane, and fluorinated graphene. By means of first principles and tight-binding calculations in combination with analytical methods, we carried out detailed comparative studies of their structural, mechanical, thermal, and electronic properties. The calculated elastic properties of these materials confirm their high mechanical stability and stiffness, which in association with their low dimensionality, translates into a large ballistic thermal conductance. Furthermore, we show that while graphene is a zero gap semi-metal, graphane and fluorinated graphene are wide gap semiconductors. Finally, we discuss designed interfaces between these systems, and show that their physical properties have potential applications in nanoelectronic devices. (C) 2010 Elsevier B.V. All rights reserved.