title: Raman spectra of graphite oxide and functionalized graphene sheets.
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.
authors.affiliation: Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA.
authors.forename: Konstantin N
authors.initials: KN
authors.lastname: Kudin
authors.forename: Bulent
authors.initials: B
authors.lastname: Ozbas
authors.forename: Hannes C
authors.initials: HC
authors.lastname: Schniepp
authors.forename: Robert K
authors.initials: RK
authors.lastname: Prud'homme
authors.forename: Ilhan A
authors.initials: IA
authors.lastname: Aksay
authors.forename: Roberto
authors.initials: R
authors.lastname: Car