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Z 型 WO/PANI 异质结可见光下光催化活性增强:深度实验和 DFT 研究。

Z-scheme WO/PANI heterojunctions with enhanced photocatalytic activity under visible light: A depth experimental and DFT studies.

机构信息

Laboratoire Matériaux et Environnement LME, Faculté des Scienc"es, Université Ibn Zohr, BP 8106, Cité Dakhla, Agadir, Morocco; Institute for Energy Research, School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang, 212013, PR China.

Laboratoire Matériaux et Environnement LME, Faculté des Scienc"es, Université Ibn Zohr, BP 8106, Cité Dakhla, Agadir, Morocco.

出版信息

Chemosphere. 2022 Apr;292:133468. doi: 10.1016/j.chemosphere.2021.133468. Epub 2021 Dec 30.

DOI:10.1016/j.chemosphere.2021.133468
PMID:34974036
Abstract

A WO@PANI heterojunction photocatalyst with a various mass ratio of polyaniline to WO was obtained via the in situ oxidative deposition polymerization of aniline monomer in the presence of WO powder. The characterization of WO@PANI composites was carried via X-ray diffraction (XRD), scanning electron microscopy (SEM-EDS), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FT-IR), ultraviolet-visible diffuse reflection spectroscopy (DRS), X-ray photoelectron spectroscopy (XPS) and photoluminescence spectroscopy (PL). The photocatalytic efficiency of WO@PANI photocatalysts was assessed by following the decomposition of the Rhodamine B (RhB) dye under visible light irradiation (λ >420 nm). The results evidenced the high efficiency of the WO@PANI (0.5 wt %) nanocomposite in the photocatalytic degradation of RhB (90% within 120 min) under visible light irradiation 3.6 times compared to pure WO. The synergistic effect between PANI and WO is the reason for the increased photogenerated carrier separation. The superior photocatalytic performance of the WO@PANI catalyst was ascribed to the increased visible light in the visible range and the efficient charge carrier separation. Furthermore, the Density Functional Theory study (DFT) of WO@PANI was performed at the molecular level, to find its internal nature for the tuning of photocatalytic efficiency. The DFT results indicated that the chemical bonds connected the solid-solid contact interfaces between WO and PANI. Finally, a plausible photocatalytic mechanism of WO@PANI (0.5 wt %) performance under visible light illumination is suggested to guide additional photocatalytic activity development.

摘要

通过在 WO 粉末存在下苯胺单体的原位氧化聚合,获得了具有不同聚苯胺与 WO 质量比的 WO@PANI 异质结光催化剂。WO@PANI 复合材料的特征通过 X 射线衍射(XRD)、扫描电子显微镜(SEM-EDS)、透射电子显微镜(TEM)、傅里叶变换红外光谱(FT-IR)、紫外可见漫反射光谱(DRS)、X 射线光电子能谱(XPS)和光致发光光谱(PL)进行了表征。通过在可见光照射(λ>420nm)下跟踪罗丹明 B(RhB)染料的分解,评估了 WO@PANI 光催化剂的光催化效率。结果表明,与纯 WO 相比,WO@PANI(0.5wt%)纳米复合材料在可见光照射下光催化降解 RhB 的效率更高(120min 内 90%),效率提高了 3.6 倍。PANI 和 WO 之间的协同效应是光生载流子分离增加的原因。WO@PANI 催化剂具有优越的光催化性能,归因于在可见光范围内增加了可见光和有效的电荷载流子分离。此外,还在分子水平上对 WO@PANI 进行了密度泛函理论(DFT)研究,以找到其内在性质,从而调节光催化效率。DFT 结果表明,化学键连接了 WO 和 PANI 之间的固-固接触界面。最后,提出了 WO@PANI(0.5wt%)在可见光照射下的合理光催化机制,以指导进一步提高光催化活性。

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