Fluorine patterning of graphene: effects of fluorine content and temperature

RD Yamaletdinov and YA Nikiforov and LG Bulusheva and AV Okotrub, NANOSCALE, 13, 1206-1212 (2021).

DOI: 10.1039/d0nr06325h

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.

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