title: Active sites and mechanisms for direct oxidation of benzene to phenol over carbon catalysts.
abstract: The direct oxidation of benzene to phenol with H2 O2 as the oxidizer, which is regarded as an environmentally friendly process, can be efficiently catalyzed by carbon catalysts. However, the detailed roles of carbon catalysts, especially what is the active site, are still a topic of debate controversy. Herein, we present a fundamental consideration of possible mechanisms for this oxidation reaction by using small molecular model catalysts, Raman spectra, static secondary ion mass spectroscopy (SIMS), DFT calculations, quasi in situ ATR-IR and UV spectra. Our study indicates that the defects, being favorable for the formation of active oxygen species, are the active sites for this oxidation reaction. Furthermore, one type of active defect, namely the armchair configuration defect was successfully identified.
authors: Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016 (China).
authors: Guodong
authors: G
authors: Wen
authors: Shuchang
authors: S
authors: Wu
authors: Bo
authors: B
authors: Li
authors: Chunli
authors: C
authors: Dai
authors: Dang Sheng
authors: DS
authors: Su
keywords: benzene; carbon; model catalysts; phenol; static secondary ion mass spectroscopy