biostudies-literatureZhang SChinese Academy of SciencesCASHIPS Director's FundNatural Science Foundation of ChinaNatural Science Foundation of Anhui ProvinceChina Postdoctoral Science FoundationNational Natural Science Foundation of ChinaAnhui Provincial Natural Science FoundationNational Key Research and Development Program of ChinaSpecial Research Assistant ProgramYouth Innovation Promotion Association of the CASe2204043https://www.ebi.ac.uk/biostudies/studies/S-EPMC9762286biostudies-literatureUnknown9(35)Direct electrocatalytic oxidation of benzene has been regarded as a promising approach for achieving high-value phenol product, but remaining a huge challenge. Here an oxygen-coordinated nickel single-atom catalyst (Ni-O-C) is reported with bifunctional electrocatalytic activities toward the two-electron oxygen reduction reaction (2e^- ORR) to H₂ O₂ and H₂ O₂ -assisted benzene oxidation to phenol. The Ni-(O-C₂ )₄ sites in Ni-O-C ar proven to be the catalytic active centers for bifunctional 2e^- ORR and H₂ O₂ -assisted benzene oxidation processes. As a result, Ni-O-C can afford a benzene conversion as high as 96.4 ± 3.6% with a phenol selectivity of 100% and a Faradaic efficiency (FE) of 80.2 ± 3.2% with the help of H₂ O₂ in 0.1 m KOH electrolyte at 1.5 V (vs RHE). A proof of concept experiment with Ni-O-C concurrently as cathode and anode in a single electrochemical cell demonstrates a benzene conversion of 33.4 ± 2.2% with a phenol selectivity of 100% and a FE of 44.8 ± 3.0% at 10 mA cm^-2 .Advanced science (Weinheim, Baden-Wurttemberg, Germany)Hydrogen Peroxide Assisted Electrooxidation of Benzene to Phenol over Bifunctional Ni-(O-C₂ )₄ Sites.PMC976228652122212YZJJ2021QN212108085QB61521721062108085QB602019YFA03079002020M6820572020458YZJJ2021QN18Zhang HShi TWang GLin YZhang SXu HYe YChen CLi WZhang YZheng LJin MZhou HZhao HfalseHydrogen Peroxide Assisted Electrooxidation of Benzene to Phenol over Bifunctional Ni-(O-C₂ )₄ Sites.Direct electrocatalytic oxidation of benzene has been regarded as a promising approach for achieving high-value phenol product, but remaining a huge challenge. Here an oxygen-coordinated nickel single-atom catalyst (Ni-O-C) is reported with bifunctional electrocatalytic activities toward the two-electron oxygen reduction reaction (2e^- ORR) to H₂ O₂ and H₂ O₂ -assisted benzene oxidation to phenol. The Ni-(O-C₂ )₄ sites in Ni-O-C ar proven to be the catalytic active centers for bifunctional 2e^- ORR and H₂ O₂ -assisted benzene oxidation processes. As a result, Ni-O-C can afford a benzene conversion as high as 96.4 ± 3.6% with a phenol selectivity of 100% and a Faradaic efficiency (FE) of 80.2 ± 3.2% with the help of H₂ O₂ in 0.1 m KOH electrolyte at 1.5 V (vs RHE). A proof of concept experiment with Ni-O-C concurrently as cathode and anode in a single electrochemical cell demonstrates a benzene conversion of 33.4 ± 2.2% with a phenol selectivity of 100% and a FE of 44.8 ± 3.0% at 10 mA cm^-2 .2022-01-01T00:00:00Z2022 Dec2025-04-26T00:46:12.826Z2025-04-06T09:47:42.103ZS-EPMC97622863631014910.1002/advs.202204043