Visible-light degradation of antibiotics catalyzed by titania/zirconia/graphitic carbon nitride ternary nanocomposites: a combined experimental and theoretical study
Visible-light degradation of antibiotics catalyzed by titania/zirconia/graphitic carbon nitride ternary nanocomposites: a combined experimental and theoretical study
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DOI：
10.1016/j.apcatb.2021.120633
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发表时间：
2021-09-30
影响因子：
22.1
通讯作者：
Chen, Shaowei
中科院分区：
文献类型：
--
作者：
Ding, Peiren;Ji, Haodong;Chen, Shaowei
开发低成本、高性能的光催化剂对废水中的抗生素进行有效降解是环境修复的关键。采用水热法制备了TiO 2/ZrO 2/g-C3 N4三元复合材料，并在可见光照射下对盐酸小檗碱进行光催化降解。发现该性能随着纳米复合材料中Ti：Zr原子比的增加而增加，并且与二元TiO 2/g-C3 N4对应物相比明显增强，这是由于I/II型异质结的形成，该异质结有助于分离光生电子-空穴对并产生超氧化物和羟基自由基。的机制途径解开了一个刻意整合的液相色谱-质谱测量与理论计算的浓缩福井指数。利用毒性估算软件工具（TEST）和定量构效关系（QSAR）对反应中间体的生态毒性进行了研究。
Development of low-cost, high-performance photocatalysts for the effective degradation of antibiotics in wastewater is critical for environmental remediation. In this work, titanium dioxide/zirconium dioxide/graphitic carbon nitride (TiO2/ZrO2/g-C3N4) ternary composites are fabricated via a facile hydrothermal procedure, and photocatalytically active towards the degradation of berberine hydrochloride under visible light illumination. The performance is found to increase with the Ti:Zr atomic ratio in the nanocomposites, and obviously enhanced in comparison to that of the binary TiO2/g-C3N4 counterpart, due to the formation of type I/II heterojunctions that help separate the photogenerated electron-hole pairs and produce superoxide and hydroxy radicals. The mechanistic pathways are unraveled by a deliberate integration of liquid chromatography-mass spectrometry measurements with theoretical calculations of the condensed Fukui index. Furthermore, the ecotoxicity of the reaction intermediates is examined by utilizing the Toxicity Estimation Software Tool (TEST) and quantitative structure activity relationship calculations (QSAR).