Abstract Pharmaceuticals and personal care products are recognized as new classes of water pollutants that receive considerable attention because of their negative environmental impact on aquatic life and humans. Because microbiological and/or conventional secondary physicochemical treatments cannot completely remove those water pollutants, effective advanced oxidation processes using semiconductor-based photocatalysts are needed to ensure their total elimination in water. Here, we report on the tuning of the morphological structure, light absorption, and photocatalytic activity of Bi2WO6 and Bi2WO6-BiOCl through cerium doping. Non-doped and Ce-doped Bi2WO6 and Bi2WO6-BiOCl powders are synthesized by a hydrothermal method, and their adsorption ability and photocatalytic activity are evaluated for the removal of salicylic acid in the dark and under visible light irradiation, respectively. The adsorption affinities and preferential sites of salicylic acid molecules on non-doped and Ce-doped Bi2WO6, BiOCl, and Bi2WO6-BiOCl are computationally predicted using molecular dynamics simulations. When ethylene glycol is replaced by dilute HCl as a solvent in a hydrothermal system, BiOCl is also formed along with Bi2WO6, confirming the successful formation of a Bi2WO6-BiOCl composite. The flower-like hierarchical structures of Bi2WO6 and Bi2WO6-BiOCl can absorb more photon energy due to multiple scattering, charge carriers can easily transfer to the surface/interface, and mesopores can improve the transfer rate of organic molecules, contributing to the overall enhancement in photocatalytic activity. The Bi2WO6-BiOCl samples show higher photocatalytic activity than that of the Bi2WO6 samples for the degradation of salicylic acid due to the formed p–n heterojunction. The optimum concentration of Ce doping is found to be 1 mol% in the Bi2WO6 and Bi2WO6-BiOCl, promoting the effective separation and transfer of photogenerated charge carriers, resulting in high photocatalytic performance, and the sample exhibited good stability.

中文翻译：

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通过铈掺杂调节Bi 2 WO 6 和Bi 2 WO 6 -BiOCl的形态结构、光吸收和光催化活性

摘要 药物和个人护理产品被认为是一类新的水污染物，因其对水生生物和人类的负面环境影响而受到广泛关注。由于微生物和/或传统的二级物理化学处理不能完全去除这些水污染物，因此需要使用基于半导体的光催化剂进行有效的高级氧化过程，以确保它们在水中完全消除。在这里，我们报告了通过铈掺杂调节 Bi2WO6 和 Bi2WO6-BiOCl 的形态结构、光吸收和光催化活性。通过水热法合成无掺杂和掺杂 Ce 的 Bi2WO6 和 Bi2WO6-BiOCl 粉末，并分别评价了它们在黑暗和可见光照射下去除水杨酸的吸附能力和光催化活性。水杨酸分子在非掺杂和掺杂 Ce 的 Bi2WO6、BiOCl 和 Bi2WO6-BiOCl 上的吸附亲和力和优先位点是使用分子动力学模拟计算预测的。当乙二醇在水热系统中被稀释的 HCl 代替作为溶剂时，BiOCl 也与 Bi2WO6 一起形成，证实了 Bi2WO6-BiOCl 复合材料的成功形成。Bi2WO6和Bi2WO6-BiOCl的花状层次结构由于多次散射可以​​吸收更多的光子能量，电荷载流子可以很容易地转移到表面/界面，介孔可以提高有机分子的转移速率，有助于光催化活性的整体增强。由于形成了 p-n 异质结，Bi2WO6-BiOCl 样品在水杨酸降解方面表现出比 Bi2WO6 样品更高的光催化活性。发现在 Bi2WO6 和 Bi2WO6-BiOCl 中 Ce 掺杂的最佳浓度为 1 mol%，促进了光生电荷载流子的有效分离和转移，从而产生了较高的光催化性能，并且样品表现出良好的稳定性。