Nd3+ induces three-dimensional hierarchical rosette-shaped Bi3O4Br to generate abundant oxygen vacancies for enhanced photocatalytic activity

IF 2.8 3区化学 Q3 CHEMISTRY, PHYSICAL

Chemical Physics Letters Pub Date : 2024-10-18 DOI:10.1016/j.cplett.2024.141695

Mengjie Bai , Jiawei Li , Yanhua Zhang , Jili Wen , Shun Liu , Shang Xiang , Yuan Gao , Sorachon Yoriya , Meilin Zhang , Ping He , Jiang Wu , Yuanqin Xue

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Abstract

Three-dimensional hierarchical rosette-shaped Bi₃O₄Br has been successfully prepared by a one-step hydrothermal method for the first time, in which the doping of Nd³⁺ into the matrix of Bi₃O₄Br induces abundant oxygen vacancies and triggers energy-band hybridization to produce new dopant levels, which can efficiently receive photo-excited electrons and inhibit the complexation of photogenerated carriers. Impressively, the doped energy levels act as “springboards” for photogenerated electron jumps, exacerbating the inhomogeneity of charge distribution and accelerating charge separation. In addition, the fine-tuning of Nd³⁺ improves the band structure and photocatalytic performance of Nd/Bi₃O₄Br. Notably, the unique 3D rosette-like Bi₃O₄Br could enhance the adsorption capacity of the catalyst and provide more opportunities for the introduction of Nd³⁺ to induce the generation of abundant oxygen vacancies. Both experimental and density functional theory (DFT) results reveal the synergistic effect of energy band hybridization and oxygen vacancies. In addition, comparative experiments showed that Nd/Bi₃O₄Br enhanced the maximum removal efficiency of heavy metal mercury by 29.66 % relative to Bi₃O₄Br under visible light. The present work reveals the reaction mechanism of photocatalytic oxidation for mercury removal, which provides a new direction for realizing energy conversion and environmental purification in the future.

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Nd3+ 诱导三维分层莲座状 Bi3O4Br 生成大量氧空位，从而增强光催化活性

通过一步水热法首次成功制备了三维分层莲座状Bi3O4Br，其中在Bi3O4Br基体中掺入Nd3+可诱导丰富的氧空位并引发能带杂化产生新的掺杂能级，从而有效接收光激发电子并抑制光生载流子的复合。令人印象深刻的是，掺杂能级充当了光生电子跃迁的 "跳板"，加剧了电荷分布的不均匀性，加速了电荷分离。此外，Nd3+ 的微调改善了 Nd/Bi3O4Br 的能带结构和光催化性能。值得注意的是，独特的三维莲座状 Bi3O4Br 可增强催化剂的吸附能力，并为 Nd3+ 的引入提供更多机会，诱导产生丰富的氧空位。实验和密度泛函理论（DFT）结果都揭示了能带杂化和氧空位的协同效应。此外，对比实验表明，在可见光下，Nd/Bi3O4Br 对重金属汞的最大去除率比 Bi3O4Br 提高了 29.66%。本研究揭示了光催化氧化除汞的反应机理，为今后实现能源转化和环境净化提供了新的方向。

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来源期刊

Chemical Physics Letters 化学-物理：原子、分子和化学物理

CiteScore

5.70

自引率

3.60%

发文量

798

审稿时长

33 days

期刊介绍： Chemical Physics Letters has an open access mirror journal, Chemical Physics Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review. Chemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage. Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work.