Enhancement of Charge Separation and NIR Light Harvesting through Construction of 2D–2D Bi₄O₅I₂/BiOBr:Yb³⁺, Er³⁺ Z‐Scheme Heterojunctions for Improved Full‐Spectrum Photocatalytic Performance

Abstract

Developing full-spectrum photocatalysts with simultaneous broadband light absorption, excellent charge separation, and high redox capabilities is becoming increasingly significant. Herein, inspired by the similarities in crystalline structures and compositions, a unique 2D-2D Bi₄ O₅ I₂ /BiOBr:Yb³⁺ ,Er³⁺ (BI-BYE) Z-scheme heterojunction with upconversion (UC) functionality is successfully designed and fabricated. The co-doped Yb³⁺ and Er³⁺ harvest near-infrared (NIR) light and then convert it into visible light via the UC function, expanding the optical response range of the photocatalytic system. The intimate 2D-2D interface contact provides more charge migration channels and enhances the Förster resonant energy transfer of BI-BYE, leading to significantly improved NIR light utilization efficiency. Density functional theory (DFT) calculations and experimental results confirm that the Z-scheme heterojunction is formed and that this heterojunction endows the BI-BYE heterostructure with high charge separation and strong redox capability. Benefit from these synergies, the optimized 75BI-25BYE heterostructure exhibits the highest photocatalytic performance for Bisphenol A (BPA) degradation under full-spectrum and NIR light irradiation, outperforming BYE by 6.0 and 5.3 times, respectively. This work paves an effective approach for designing highly efficient full-spectrum responsive Z-scheme heterojunction photocatalysts with UC function.