Paracetamol degradation via electrocatalysis with B and N co-doped reduced graphene oxide: Insight into the mechanism on catalyst surface and in solution.

Abstract This paper presents the use of B and N co-doped reduced graphene oxide (BN-GN) as an electrode for paracetamol electrochemical degradation. The reaction mechanism, focused on active sites in the atom level and dominant radical species generated through the reaction, was analyzed by characterization, density functional theory (DFT) calculation, quenching experiments, and electron paramagnetic resonance analysis. The characterization results indicated that the introduction of N and B functionalities into GN improved catalytic activity due to the generation of new surface defects, active sites, and improvement of conductivity. Results of experiments and DFT showed that co-doping of B and N greatly improved the catalytic activity, and the B atoms in C–N–B groups were identified as main active sites. The main active substances of BN-GN generated in the electrocatalytic oxidation of paracetamol in the solution were O2•− and active chlorine. The influence of O2•− and active chlorine on the efficiency/path of catalytic oxidation and the proposed mechanism were also determined for paracetamol degradation. This study provides an in-depth understanding of the mechanism of BN-GN catalysis and suggests possibilities for practical applications.