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Title: Energetics of Defects on Graphene through Fluorination

In the present study, we used FGS[5] as the substrate and implemented low temperature (<=150 oC) direct fluorination on graphene sheets. The fluorine content has been modulated to investigate the formation mechanism of different functional groups such as C-F, CF2, O-CF2 and (C=O)F during the fluorination process. The detailed structure and chemical bonds were simulated theoretically and quantified experimentally by using density function theory (DFT) calculations and NMR techniques, respectively. The adjustable power/energy ratio from fluorinated graphene as cathode for primary lithium batteries is also discussed. From a combination of NMR spectroscopy and theoretical calculation, we conclude that the topological defects without oxygen containing groups provide most of the reactive sites to react with F. FGS also contain a small number of COOH groups which contribute for the fluorination reaction. Hydroxyl or epoxy groups contribute to another fraction of the reaction products.
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Publication Date:
OSTI Identifier:
Report Number(s):
47414; KC0203020
DOE Contract Number:
Resource Type:
Journal Article
Resource Relation:
Journal Name: ChemSusChem, 7(5):1295-1300
Research Org:
Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Org:
Country of Publication:
United States
graphene, fluorination, defects,lithium batteries,energy storage; Environmental Molecular Sciences Laboratory