Oxidation of graphene in ozone under ultraviolet light

Abstract

Based on first-principles calculations, the process of graphene oxidation 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 CO 2 molecules are released. © 2012 American Institute of Physics.