2020/07/29 by Ruslan D. Yamaletdinov, Yaroslav A. Nikiforov, Yamaletdinov, Ruslan D. +6
Materials Science · Physics and Astronomy · #FOS: Physical sciences #Graphene research and applications #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.2007.14765
arxiv created 2020/07/29 · openalex publication_date 2020/07/29 · arxiv updated 2020/07/30 · openalex created_date 2022/07/26 · openalex updated_date 2026/07/28
In this paper we present a successful approach for the generation of partially fluorinated graphene structures. A computationally simple model optimized on a large DFT 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.