• 文献标题:   Local electronic and electrical properties of functionalized graphene nano flakes
  • 文献类型:   Article
  • 作  者:   CHUTIA A, SAHNOUN R, DEKA RC, ZHU ZG, TSUBOI H, TAKABA H, MIYAMOTO A
  • 作者关键词:   amorphous graphene related carbon material, density functional theory, tightbinding method, electrical conductivity, graphitic character
  • 出版物名称:   PHYSICA BCONDENSED MATTER
  • ISSN:   0921-4526 EI 1873-2135
  • 通讯作者地址:   Tohoku Univ
  • 被引频次:   6
  • DOI:   10.1016/j.physb.2011.01.012
  • 出版年:   2011

▎ 摘  要

Based on experimental findings models of amorphous graphene related carbon materials were generated using graphene nano flakes. On the optimized structures detailed local electronic properties were investigated using density functional theory. The electrical conductivities of all these models were also estimated using an in-house program based on tight-binding method. The calculated electrical conductivity values of all the models agreed well with the trend of calculated energy gap and graphitic character. (C) 2011 Elsevier B.V. All rights reserved.