Oxidation of graphene in ozone under ultraviolet light

Yingchun Cheng, Thaneshwor P. Kaloni, Udo Schwingenschlögl, Zhiyong Zhu

Research output: Contribution to journalArticlepeer-review

68 Scopus citations

Abstract

Based on first-principles calculations, the process of grapheneoxidation in ozone under ultraviolet light is explored by studying the effects of O(3P) on the structural and electronic properties of a graphene sheet. On initial absorption of O(3P), an epoxy group is formed on the graphene sheet and the Dirac cone is shifted away from the Brillouin zone corners without carrier doping. When the oxidation progresses, an adjacent C-C bond is broken, a vacancy is formed, and CO and/or CO2 molecules are released.
Original languageEnglish (US)
Pages (from-to)073110
JournalApplied Physics Letters
Volume101
Issue number7
DOIs
StatePublished - Aug 17 2012

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

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