Fluorine patterning of graphene: Effects of fluorine content and temperature

Ruslan D. Yamaletdinov, Yaroslav A. Nikiforov, Lyubov G. Bulusheva, Alexander V. Okotrub

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)

Abstract

In this paper we present a successful approach for the generation of partially fluorinated graphene structures. A computationally simple model optimized on a large density functional theory dataset quickly and precisely predicts experimentally observed structures. From the analysis of the structural diversity of fluorinated graphene in a wide range of synthesis temperatures, the general structural patterns are identified and the conditions for their achievement are determined. In addition, to facilitate further studies of fluorinated graphene, we present a ready-to-use GenCF code that implements the described structure generator. This journal is

Original languageEnglish
Pages (from-to)1206-1212
Number of pages7
JournalNanoscale
Volume13
Issue number2
DOIs
Publication statusPublished - 14 Jan 2021

Keywords

  • ELECTRONIC-STRUCTURE
  • QUANTUM-CHEMISTRY
  • GRAPHITE

Fingerprint Dive into the research topics of 'Fluorine patterning of graphene: Effects of fluorine content and temperature'. Together they form a unique fingerprint.

Cite this