Predicting the Mechanisms for H2O2 Activation and Phenol Oxidation Catalyzed by Modified Graphene-Based Systems Using Density Functional Theory.
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DOI: 10.1021/acsami.2c08129
Abstract: The heterogeneous Fenton-like reaction on metal-free graphene-based catalysts attracts great attention. However, a systematic and comprehensive understanding of the mechanisms for H2O2 activation and pollutant oxidation is still lacking. In this study, the heterogeneous Fenton-like… read more here.
Keywords: graphene; oxidation; based systems; mechanisms h2o2 ... See more keywords