In this study, a one-step hydrothermal synthesis method was used to prepare Bi₂O₃/Bi₂WO₆ heterojunction photocatalyst, and modern advanced characterization methods were used to characterize the material composition and physical properties of the material. 10%-Bi₂O₃/Bi₂WO₆ showed the best photocatalytic ability at 240 min, which was 68.16%, which was a big improvement compared to Bi₂O₃(43.86%) and Bi₂WO₆(48.33%). Through the first-order reaction kinetics simulation, the reaction rates of Bi₂O₃, Bi₂WO₆, and 10%-Bi₂O₃/Bi₂WO₆ are k = 0.00282 min⁻¹, k = 0.00283 min⁻¹ and k = 0.00468 min⁻¹. 10%-Bi₂O₃/Bi₂WO₆, respectively the reaction rate is 1.66 times that of the former two, and it still has high catalytic activity after 4 cycles of experiments. In addition, using the density functional theory method, the Bi₂O₃, Bi₂WO₆ and Bi₂O₃(001)/Bi₂WO₆(0 0 1) heterojunction models were constructed, and the energy band structures of Bi₂O₃, Bi₂WO₆ and Bi₂O₃/Bi₂WO₆ heterojunctions were systematically calculated band structure and density of states. The results show that the band gap of Bi₂O₃/Bi₂WO₆ heterojunction is significantly lower than that of intrinsic Bi₂O₃ and Bi₂WO₆, which is conducive to reducing the photon excitation energy and improving the light absorption capacity. Theoretical calculation combined with experimental analysis shows that the formation of heterojunction leads to a narrower band gap, enhances the absorption in the visible light region, improves the separation efficiency of photo-generated electrons and holes, and enhances the photocatalytic performance.

本研究采用一步水热合成法制备Bi ₂ O ₃ /Bi ₂ WO ₆异质结光催化剂，并采用现代先进表征方法对材料的组成和物理性能进行表征。10%-Bi ₂ O ₃ /Bi ₂ WO ₆在240 min时表现出最好的光催化能力，达到68.16%，与Bi ₂ O ₃ (43.86%)和Bi ₂ WO ₆ (48.33%)相比有了很大的提高. 通过一级反应动力学模拟，Bi ₂ O的反应速率₃、Bi ₂ WO ₆和10%-Bi ₂ O ₃ /Bi ₂ WO ₆是k=0.00282 min ^-1、k=0.00283 min ^-1和k=0.00468 min ^-1。10%-Bi ₂ O ₃ /Bi ₂ WO ₆反应速率分别是前两者的1.66倍，经过4个循环实验仍具有较高的催化活性。此外，利用密度泛函理论方法，Bi ₂ O ₃、Bi ₂ WO ₆和Bi ₂ O ₃构建了(001)/Bi ₂ WO ₆ (0 0 1)异质结模型，系统计算了Bi ₂ O ₃、Bi ₂ WO ₆和Bi ₂ O ₃ /Bi ₂ WO ₆异质结的能带结构和能带结构。状态密度。结果表明，Bi ₂ O ₃ /Bi ₂ WO ₆异质结的带隙明显低于本征Bi ₂ O ₃和Bi ₂ WO ₆的带隙，有利于降低光子激发能量，提高光吸收能力。理论计算结合实验分析表明，异质结的形成导致带隙变窄，增强了可见光区的吸收，提高了光生电子和空穴的分离效率，增强了光催化性能。