Effect of Fluorine Patterns on Electronic Transport in Fluorinated Graphene

Ruslan D. Yamaletdinov, Vsevolod L. Katkov, Yaroslav A. Nikiforov, Alexander V. Okotrub, Vladimir A. Osipov

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

Abstract

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.

Original languageEnglish
Article number1900199
Number of pages6
JournalAdvanced Theory and Simulations
Volume3
Issue number4
DOIs
Publication statusPublished - 1 Apr 2020

Keywords

  • electron transport
  • fluorinated graphene
  • graphene
  • molecular dynamics
  • molecular modeling
  • QUANTUM TRANSPORT

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