0D/1D CuWO₄/Mn_0.3Cd_0.7S S-scheme heterojunctions for full-spectrum bifunctional photocatalytic degradation and...

Integrating photocatalytic oxidation for pollutant removal with hydrogen production via photocatalysis presents a promising approach for sustainable water purification and renewable energy generation, circumventing the sluggish multi-electron transfer inherent in photocatalytic water oxidation. This study introduces novel zero-/one-dimensional (0D/1D) CuWO₄/Mn_0.3Cd_0.7S step-scheme (S-scheme) heterojunctions that exhibit exceptional bifunctional capabilities in photocatalytic degradation and hydrogen production under full-spectrum illumination. The degradation efficiency for tetracycline (TC) using 5 %-CuWO₄/Mn_0.3Cd_0.7S reaches 94.3 % and 94.5 % within 60 min and 6 h, respectively, under ultraviolet-visible (UV-Vis) and near-infrared (NIR) light. Notably, these 0D/1D CuWO₄/Mn_0.3Cd_0.7S S-scheme heterojunctions demonstrate superior hydrogen production, achieving rates of 12442.03 μL g^-1h^-1 and 2418.54 μL g^-1h^-1 under UV-Vis light and NIR light irradiation, respectively-these rates are 2.3 times and 55.2 times higher than that of Mn_0.3Cd_0.7S alone. This performance enhancement is attributed to the intrinsic dimensional effects, transitions of transition metal d-d orbitals, and S-scheme hole/electron (h⁺/e^-) separation characteristics. Additionally, experimental results and density functional theory (DFT) calculations have clarified the modulation of electronic configurations, band alignment, and interfacial interactions via 0D/1D S-scheme heterojunction engineering. This study sheds light on the electron transfer mechanism within S-scheme heterojunction and enhances the effectiveness, economy, and sustainability of recalcitrant pollutant removal and hydrogen production.