• 文献标题:   Fluorine patterning of graphene: effects of fluorine content and temperature
  • 文献类型:   Article
  • 作  者:   YAMALETDINOV RD, NIKIFOROV YA, BULUSHEVA LG, OKOTRUB AV
  • 作者关键词:  
  • 出版物名称:   NANOSCALE
  • ISSN:   2040-3364 EI 2040-3372
  • 通讯作者地址:  
  • 被引频次:   11
  • DOI:   10.1039/d0nr06325h
  • 出版年:   2021

▎ 摘  要

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.