Unraveling Multi-Channel Oxygen Species Activation Pathways on Spinel Catalysts: From Surface Redox Dynamics to Reactivity Modulation in VOCs Oxidation Processes

Reactive oxygen species (ROS) play a central role in redox catalysis over spinel oxides, contributing to both thermal and electrochemical oxidation processes, especially in the removal of volatile organic compounds (VOCs). Species such as lattice oxygen (O latt ) and adsorbed oxygen (O ads ) govern catalytic performance through structure-dependent activation and regeneration pathways. This review critically evaluates three major strategies for tuning ROS behavior: surface defect engineering, lattice doping and interface construction. This study delves into the activation and migration mechanisms of diverse oxygen species at the surface and bulk phases of metal oxides from an electronic perspective. Using spinel oxides renowned for their complex and abundant surface-active oxygen species as research object, we systematically synthesized the molecular dynamics (MD) and density functional theory (DFT) calculations reported in existing literature to elucidate the intrinsic correlations between oxygen species and the reaction rates of the catalytic oxidation processes of various VOCs. Based on existing research, this work proposes rational design principles for spinel-based catalysts in oxidation reactions, aiming to advance the rational development of next-generation VOCs oxidation catalysts. • Reviewing strategies to regulate reactive oxygen species on spinel oxides. • Elucidating the dynamic synergy of oxygen species in VOCs mineralization. • Proposing a roadmap for robust catalyst design toward industrial applications.