Fluorine patterning of graphene: effects of fluorine content and temperature

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.

Automated summary

This paper introduces a successful approach for generating partially fluorinated graphene structures and identifies general structural patterns and conditions for achievement through data analysis. Additionally, a GenCF code is provided to facilitate further research on fluorinated graphene.