Electrocatalytic H2O2 production via two-electron O2 reduction by Mo-doped TiO2 nanocrystallines

Abstract

Electrochemical synthesis of H₂O₂via a selective two-electron O₂ reduction reaction (2e⁻ ORR) is an attractive alternative to the industrial anthraquinone oxidation method. Herein, Mo doping is proposed as an effective strategy to boost 2e⁻ ORR of the TiO₂ nanocrystallines, which not only improves the electrical conductivity of TiO₂ but also reduces the *OOH adsorption energy of active sites. Such Mo–TiO₂-2 achieves a high Faradaic efficiency of 92% and a large H₂O₂ yield of 395.3 mmol g_cat⁻¹ h⁻¹ in 0.1 M KOH. The catalytic mechanism is further revealed via density functional theory calculations.