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.
- Research Organization:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 1132684
- Report Number(s):
- PNNL-SA-92043; 47414; KC0203020
- Journal Information:
- ChemSusChem, 7(5):1295-1300, Journal Name: ChemSusChem, 7(5):1295-1300
- Country of Publication:
- United States
- Language:
- English
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