Oxygen Vacancy Induced Atom-Level Interface in Z-Scheme SnO2/SnNb2O6 Heterojunctions for Robust Solar-Driven CO2 Conversion

The modulation of Z-scheme charge transfer is essential for efficient heterostructure toward photocatalytic CO₂ reduction. However, constructing a compact hetero-interface favoring the Z-scheme charge transfer remains a great challenge. In this work, an interfacial Nb-O-Sn bond and built-in electric field-modulated Z-scheme O_v-SnO₂/SnNb₂O₆ heterojunction was prepared for efficient photocatalytic CO₂ conversion. Systematic investigations reveal that an atomic-level interface is constructed in the O_v-SnO₂/SnNb₂O₆ heterojunction. Under simulated sunlight irradiation, the obtained O_v-SnO₂/SnNb₂O₆ photocatalyst exhibits a high CO evolution rate of 147.4 μmol h^-1 g^-1 from CO₂ reduction, which is around 3-fold and 3.3-fold of SnO₂/SnNb₂O₆ composite and pristine SnNb₂O₆, respectively, and favorable cyclability by retaining 95.8% rate retention after five consecutive tests. As determined by electron paramagnetic resonance spectra, in situ Fourier transform infrared spectra, and density functional theory calculations, Nb-O-Sn bonds and built-in electric field induced by the addition of oxygen vacancies jointly accelerate the Z-scheme charge transfer for enhanced photocatalytic performance. This work provides a promising route for consciously modulating Z-scheme charge transfer by atomic-level interface engineering to boost photocatalytic performance.