TY - JOUR
T1 - Oxidation of graphene in ozone under ultraviolet light
AU - Cheng, Yingchun
AU - Kaloni, Thaneshwor P.
AU - Schwingenschlögl, Udo
AU - Zhu, Zhiyong
N1 - KAUST Repository Item: Exported on 2020-10-01
PY - 2012/8/17
Y1 - 2012/8/17
N2 - 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.
AB - 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.
UR - http://hdl.handle.net/10754/315731
UR - http://scitation.aip.org/content/aip/journal/apl/101/7/10.1063/1.4746261
UR - http://www.scopus.com/inward/record.url?scp=84865410934&partnerID=8YFLogxK
U2 - 10.1063/1.4746261
DO - 10.1063/1.4746261
M3 - Article
SN - 0003-6951
VL - 101
SP - 073110
JO - Applied Physics Letters
JF - Applied Physics Letters
IS - 7
ER -