title: Energetics of defects on graphene through fluorination.
abstract: 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 sheets are used as substrate for low-temperature (<150 °C) direct fluorination. The fluorine content has been modified to investigate the formation mechanism of different functional groups such as C-F, CF2, O-CF2 and (C=O)F during fluorination. The detailed structure and chemical bonds are simulated by density functional theory (DFT) and quantified experimentally by nuclear magnetic resonance (NMR). The electrochemical properties of fluorinated graphene are also discussed extending the use of graphene from fundamental research to practical applications.
authors: Pacific Northwest National Laboratory, Richland, WA 99352 (USA). jie.xiao@pnnl.gov.
authors: Jie
authors: J
authors: Xiao
authors: Praveen
authors: P
authors: Meduri
authors: Honghao
authors: H
authors: Chen
authors: Zhiguo
authors: Z
authors: Wang
authors: Fei
authors: F
authors: Gao
authors: Jianzhi
authors: J
authors: Hu
authors: Ju
authors: J
authors: Feng
authors: Mary
authors: M
authors: Hu
authors: Sheng
authors: S
authors: Dai
authors: Suree
authors: S
authors: Brown
authors: Jamie L
authors: JL
authors: Adcock
authors: Zhiqun
authors: Z
authors: Deng
authors: Jun
authors: J
authors: Liu
authors: Gordon L
authors: GL
authors: Graff
authors: Ilhan A
authors: IA
authors: Aksay
authors: Ji-Guang
authors: JG
authors: Zhang
mesh_terms: D004553:Electric Conductivity; D004563:Electrochemistry; D005461:Fluorine / Q000737:chemistry*; D006108:Graphite / Q000737:chemistry*; D054879:Halogenation; D009682:Magnetic Resonance Spectroscopy; D008956:Models, Chemical; D013499:Surface Properties; D013696:Temperature
chemical_list: D005461:Fluorine; D006108:Graphite
keywords: NMR spectroscopy; density functional calculations; energy storage; fluorine; graphene