Work

Fluorine patterning of graphene: effects of fluorine content and temperature

Year: 2020

Type: article

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.

Source: Nanoscale

DOI: 10.1039/d0nr06325h

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

Institutions: Novosibirsk State University, Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, Nikolaev Institute of Inorganic Chemistry

Language: English

Topic: Graphene research and applications

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

Funder: Russian Foundation for Basic Research

Award: G7820591473