Journal
NANO LETTERS
Volume 8, Issue 1, Pages 36-41Publisher
AMER CHEMICAL SOC
DOI: 10.1021/nl071822y
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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 sp(2) 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 sp(3) carbons on the edges of a zigzag carbon ribbon.
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