在石墨烯上锚定氧化锌量子点和氧化铜,用于声光催化处理制药废水:来自实验数据和先进机器学习算法的预测

IF 4.9 2区 化学 Q2 CHEMISTRY, PHYSICAL
Atena Akbari Kohnehsari , Azadeh Ebrahimian Pirbazari , Fatemeh Esmaeili Khalil Saraei , Amin Esmaeili , Ali Ebrahimian Pirbazari , Erfan Nasiri Alankesh , Ali Amirinezhad
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引用次数: 0

摘要

量子点(QDs)作为光催化剂因其独特的性质最近受到广泛关注。尽管文献报道了量子点作为光催化剂的优势,但它们的声光催化/光催化活性仍然受到一系列障碍的阻碍,这些障碍限制了它们在几个连续循环后的高效运行。这项工作的主要目的是利用氧化锌量子点(ZQDs)、钛铁矿(CuO)和石墨烯(G)制造一种高效且可回收的声光催化剂/光催化剂。为此,采用水热法将不同数量的 ZQDs(ZQDs(x)/G,x= 10、20、30、40 和 50 毫克)固定在石墨烯上,并在 ZQDs(40)/G 上浸渍不同重量百分比的 CuO。PXRD 图样和拉曼光谱分别证实了 ZQDs 和 CuO 的钨晶型和单斜晶型晶体结构。此外,FESEM、AFM 和 PXRD 显示,固定在石墨烯上和被 CuO 浸渍后,ZQDs 的平均晶体尺寸增大。PL和Mott-Schottky分析表明,CuO(0.5)/ZQDs(40)/G中GO和CuO的存在减少了激子的重组,并在CuO和ZnO之间形成了p-n异质结。利用 DRS 和 Mott-Schottky 分析方法得到了 VB 和 CB 电位以及带隙能,并根据活性物种捕获和 H2O2 纸试剂提出了四环素(TC)降解机理。在 CuO(0.5)/ZQDs(40)/G 存在下,光催化和声光催化降解 TC 的表观速率常数(kapp)分别为 0.030 和 0.060 min-1。经处理的三氯乙烷废水在小麦种子生长中表现出可接受的性能。电费估算结果表明,(CuO(0.5)/ZQDs(40)/G)在声光催化/光催化降解 TC 的过程中耗电较少,而且可以连续使用几个循环。最后,建立了两个基于 ML 算法的 RF 和 AdaBoost 模型来预测光催化/声光催化降解。结果表明,AdaBoost 模型的统计指标值(包括 SAE、MAE、MSE 和 RMSE)相对低于 RF 模型,表明在训练和测试数据集中具有更好的预测性能。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Anchorage of ZnO quantum dots and CuO on graphene for sonophotocatalytic treatment of pharmaceutical effluent: From experimental data and prediction by advanced machine learning algorithms
Quantum dots (QDs) have recently received much attention as photocatalysts due to their unique properties. Despite the advantages reported for QDs as photocatalysts in literature, their sonophotocatalytic/photocatalytic activity is still hindered by a series of barriers, which limit them to operate after several successive cycles efficiently. The main aim of this work is to fabricate an efficient and recyclable sonophotocatalyst/photocatalyst using ZnO quantum dots (ZQDs), tenorite (CuO), and graphene (G). In this regard, different amounts of ZQDs (ZQDs(x)/G, x= 10, 20, 30, 40, and 50 mg) were immobilized on graphene by hydrothermal method and various weight percent of CuO was impregnated on ZQDs(40)/G. The PXRD patterns and Raman spectra confirmed the wurtzite and monoclinic crystal structure for ZQDs and CuO, respectively. Also, FESEM, AFM, and PXRD showed that the mean crystal size of ZQDs increased after immobilization on graphene and impregnation by CuO. PL and Mott–Schottky analyses showed that the presence of GO and CuO in CuO(0.5)/ZQDs(40)/G reduced the recombination of excitons and formed p-n heterogeneous junctions between CuO and ZnO. The VB and CB potential and bandgap energy were obtained using DRS and Mott–Schottky analyses, and the mechanism of tetracycline (TC) degradation was proposed according to active species trapping and H2O2 paper testes. The apparent rate constant (kapp) was 0.030 and 0.060 min−1 for photocatalytic and sonophotocatalytic degradation of TC in the presence of CuO(0.5)/ZQDs(40)/G, respectively. The treated effluent of TC showed acceptable performance in growing wheat seeds. The electricity cost estimation showed that (CuO(0.5)/ZQDs(40)/G) consumed less electricity in sonophotocatalytic/photocatalytic TC degradation and could also be used in several successive cycles. Finally, two RF and AdaBoost models based on ML algorithms were developed to predict photocatalytic/sonophotocatalytic degradation. The results showed that the values of statistical metrics, including SAE, MAE, MSE, and RMSE, for the AdaBoost model were relatively lower than those for the RF model, indicating better prediction performance in train and test datasets.
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来源期刊
CiteScore
8.70
自引率
9.60%
发文量
2421
审稿时长
56 days
期刊介绍: Colloids and Surfaces A: Physicochemical and Engineering Aspects is an international journal devoted to the science underlying applications of colloids and interfacial phenomena. The journal aims at publishing high quality research papers featuring new materials or new insights into the role of colloid and interface science in (for example) food, energy, minerals processing, pharmaceuticals or the environment.
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