• 文献标题:   Effect of Fluorine Patterns on Electronic Transport in Fluorinated Graphene
  • 文献类型:   Article
  • 作  者:   YAMALETDINOV RD, KATKOV VL, NIKIFOROV YA, OKOTRUB AV, OSIPOV VA
  • 作者关键词:   electron transport, fluorinated graphene, graphene, molecular dynamic, molecular modeling
  • 出版物名称:   ADVANCED THEORY SIMULATIONS
  • ISSN:  
  • 通讯作者地址:   RAS
  • 被引频次:   1
  • DOI:   10.1002/adts.201900199 EA FEB 2020
  • 出版年:   2020

▎ 摘  要

Within the framework of stochastic reactive molecular dynamics simulations a statistical method for generating fluorinated graphene structures with desirable fluorine distribution is developed. Electronic transport properties of fluorinated graphene in a wide range of functionalization degrees and system ordering are investigated. A strong correlation between irregularities in fluorine distribution and electronic properties is found. In particular, proposed consideration allows for the reproduction of both the experimentally observed electron-hole asymmetry in transport properties of fluorinated graphene and a recently revealed conductivity peak at 10% fluoride content.