Fluorine patterning of graphene: effects of fluorine content and temperature. Issue 2 (6th January 2021)

• Record Type: Journal Article
• Authors: Yamaletdinov, Ruslan D.; Nikiforov, Yaroslav A.; Bulusheva, Lyubov G.; Okotrub, Alexander V.
• Is Part Of: Nanoscale. Volume 13:Issue 2(2021)
• Page Start: 1206
• Page End: 1212
• Publication Date: 2021-01-06
• Subjects: Nanoscience -- Periodicals; Nanotechnology -- Periodicals; 620.505
• DOI: 10.1039/d0nr06325h
• Languages: English
• ISSNs: 2040-3364

Abstract

Abstract : An adjustable numerical approach generates structures of partially fluorinated graphene depending on the synthesis temperature. 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.