A BEG Model of Graphene Fluorination
نویسندگان
چکیده
In this paper, we model the fluorination of graphene as a Blume-Emery-Griffiths model with nearest neighbor interactions on a two-dimensional hexagonal lattice. Using Monte Carlo simulation methods, the phase diagram is found to be quite rich, containing a variety of phases. Thermodynamic crumpling is thought to be critical for the stability of freestanding graphene at finite temperature. We explain how our simulations can be extended to include the effects of thermodynamic crumpling.
منابع مشابه
Fluorination of graphene enhances friction due to increased corrugation.
The addition of a single sheet of carbon atoms in the form of graphene can drastically alter friction between a nanoscale probe tip and a surface. Here, for the first time we show that friction can be altered over a wide range by fluorination. Specifically, the friction force between silicon atomic force microscopy tips and monolayer fluorinated graphene can range from 5-9 times higher than for...
متن کاملSite-selective local fluorination of graphene induced by focused ion beam irradiation
The functionalization of graphene remains an important challenge for numerous applications expected by this fascinating material. To keep advantageous properties of graphene after modification or functionalization of its structure, local approaches are a promising road. A novel technique is reported here that allows precise site-selective fluorination of graphene. The basic idea of this approac...
متن کاملEnergetics of defects on graphene through fluorination.
Functionalized graphene sheets (FGSs) comprise a unique member of the carbon family, demonstrating excellent electrical conductivity and mechanical strength. However, the detailed chemical composition of this material is still unclear. Herein, we take advantage of the fluorination process to semiquantitatively probe the defects and functional groups on graphene surface. Functionalized graphene ...
متن کاملCarbon nanoscroll from C4H/C4F-type graphene superlattice: MD and MM simulation insights.
Morphology manipulation opens up a new avenue for controlling and tailoring the functional properties of graphene, enabling the exploration of graphene-based nanomaterials. Through mixing single-side-hydrogenated graphene (C4H) with fluorinated graphene (C4F) on one single sheet, the C4H/C4F-type graphene superlattices can self-scroll at room temperature. We demonstrate using molecular dynamic ...
متن کاملElemental superdoping of graphene and carbon nanotubes
Doping of low-dimensional graphitic materials, including graphene, graphene quantum dots and single-wall carbon nanotubes with nitrogen, sulfur or boron can significantly change their properties. We report that simple fluorination followed by annealing in a dopant source can superdope low-dimensional graphitic materials with a high level of N, S or B. The superdoping results in the following do...
متن کامل