Raman spectra of graphite oxide and functionalized graphene sheets.

Kudin, Konstantin N; Ozbas, Bulent; Schniepp, Hannes C; Prud'homme, Robert K; Aksay, Ilhan A; Car, Roberto · Nano Lett · 2008

basic_science · Level V

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Abstract

We investigate Raman spectra of graphite oxide and functionalized graphene sheets with epoxy and hydroxyl groups and Stone-Wales and 5-8-5 defects by first-principles calculations to interpret our experimental results. Only the alternating pattern of single-double carbon bonds within the sp2 carbon ribbons provides a satisfactory explanation for the experimentally observed blue shift of the G band of the Raman spectra relative to graphite. To obtain these single-double bonds, it is necessary to have sp3 carbons on the edges of a zigzag carbon ribbon.