Abstract
Photocatalysis is a promising strategy for deep purification of low-concentration toluene, driving by hydroxyl radicals (•OH) with potent oxidation capacity. Unfortunately, •OH evolution from H2O activation is a thermodynamically unfavorable process and suffers from the low utilization efficiency of photoexcited holes. Herein, a novel strategy to tailor the d-band center of perovskite BaSnO3 via heteroatom Zn substitution is proposed, aiming at optimizing the H2O adsorption configuration and efficiently activating H2O to yield •OH. The upshifted d‐band center mediated by the incorporation of Zn improves the adsorption capacity of H2O molecule, and directly determines the H2O adsorption configuration. Meanwhile, the dual transport channels of electron-hole accelerate O-H band fracture and lower the energy barrier for hole transfer to OH, allowing for efficient H2O activation. The optimized catalyst shows a 3-fold activity in toluene mineralization compared to commercial TiO2. This work sheds substantial light on H2O activation and environmental catalyst design.
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