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首页> 外文期刊>Journal of Materials Science >Experimental and DFT investigation on the different effects of Er3+- and Ag+-doped BiOBr microspheres in enhancing photocatalytic activity under visible light irradiation
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Experimental and DFT investigation on the different effects of Er3+- and Ag+-doped BiOBr microspheres in enhancing photocatalytic activity under visible light irradiation

机译：ER3 +和Ag + +掺杂BioBR微球在可见光照射下增强光催化活性的实验和DFT调查

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The narrow band gap and the effective separation of photocatalytic reaction species are indispensable to use impurity-doped photocatalysts in photocatalytic environment remediation and solar fuels. Uniform porous BiOBr microspheres photocatalysts consisting of doped Ag+ and Er3+ ions were synthesized successfully via the microwave hydrothermal process. The results indicate that the degradation rate constants of RhB with Ag+-doped BiOBr and Er3+-doped BiOBr are 2.5 and 2.7 times stronger than that of pure BiOBr, respectively. Moreover, Ag+-doped BiOBr and Er3+-doped BiOBr can effectively capture photogenic electrons and inhibit the recombination of photogenic electron-hole pairs. Their ultraviolet-visible spectrum reveals that Ag+-doped BiOBr and Er3+-doped BiOBr with abundant energy levels exhibit a broader visible light response range and enhance visible light utilization. Based on density functional theory insights on the density of states, the band structures, and the charge density difference, the results reveal that Ag+-doped BiOBr and Er3+-doped BiOBr favor the separation of the photogenerated electron-hole pairs. The separated electrons and holes can be sufficiently activated by a redox reaction in both the conduction band and the valence band to complete the photodegradation process. In this work, the difference in the photocatalytic mechanism between Er3+-doped BiOBr and Ag+-doped BiOBr was systematically investigated. The results not only provide new insights into the doping properties of BiOBr but also promote its potential applications in semiconductor photocatalysts.
机译：光催化反应物质的窄带隙和有效分离是在光催化环境修复和太阳能燃料中使用杂质掺杂的光催化剂是必不可少的。通过微波水热法成功地合成由掺杂Ag +和ER3 +离子组成的均匀多孔BioBR微球。结果表明，具有Ag +掺杂的BioBR和ER3 + - 掺杂BioBR的RHB的降解速率常数分别比纯BioBR的BioBR为2.5％和2.7倍。此外，Ag + - 掺杂的BioBR和ER3 + - 掺杂的BioBR可以有效地捕获光源电子并抑制光原电子孔对的重组。它们的紫外线可见光谱显示，具有丰富能级的Ag +掺杂的BioBR和ER3 + +掺杂的BioBR表现出更广泛的可见光响应范围，并提高可见光利用。基于密度函数理论对状态密度，带状结构和电荷密度差异的见解，结果表明，Ag +掺杂的BioBR和ER3 + - 掺杂的BioBR赞成光发化电子孔对的分离。通过导带和价带中的氧化还原反应可以充分地激活分离的电子和孔以完成光降解过程。在这项工作中，系统地研究了ER3 +掺杂的BIOBR和Ag + -Doped BioBR之间的光催化机制差异。结果不仅为BioBR的掺杂性能提供了新的见解，还可以促进其在半导体光催化剂中的潜在应用。

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