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首页> 外文期刊>RSC Advances >Photoelectrocatalytic application of palladium decorated zinc oxide-expanded graphite electrode for the removal of 4-nitrophenol: experimental and computational studies
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Photoelectrocatalytic application of palladium decorated zinc oxide-expanded graphite electrode for the removal of 4-nitrophenol: experimental and computational studies

机译：钯修饰的氧化锌膨胀石墨电极在光电催化中去除4-硝基苯酚的实验和计算研究

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摘要

A novel Pd–ZnO-expanded graphite (EG) photoelectrode was constructed from a Pd–ZnO-EG nanocomposite synthesised by a hydrothermal method and characterised using various techniques such as X-ray diffractometry (XRD), Raman spectroscopy, UV-Vis diffuse reflectance spectroscopy, nitrogen adsorption–desorption analysis, transmission electron microscopy (TEM), scanning electron microscopy (SEM) and energy dispersive spectrometry (EDS). Cyclic voltammetry and photocurrent response measurements were also carried out on the electrode. The Pd–ZnO-EG electrode was employed in the photoelectrocatalytic removal of 4-nitrophenol as a target water pollutant at a neutral pH and with a current density of 7 mA cm ~(?2) . Optical studies revealed that the Pd–ZnO-EG absorbed strongly in the visible light region. The Pd–ZnO-EG electrode showed improved photoelectrocatalytic activity in relation to ZnO-EG and EG electrodes for the removal of the 4-nitrophenol. The photocurrent responses showed that the Pd–ZnO-EG nanocomposite electrode could be employed as a good photoelectrode for photoelectrocatalytic processes and environmental remediation such as treatment of industrial waste waters. Density functional theory method was used to model the oxidative degradation of 4-nitrophenol by the hydroxyl radical which generates hydroquinone, benzoquinone, 4-nitrocatechol, 4-nitroresorcinol and the opening of the 4-nitrophenol ring. Furthermore, the hydroxyl radical is regenerated and can further oxidise the ring structure and initiate a new degradation process.
机译：利用水热法合成的Pd-ZnO-EG纳米复合材料，构建了新颖的Pd-ZnO-膨胀石墨（EG）光电极，并利用X射线衍射（XRD），拉曼光谱，UV-Vis漫反射等多种技术对其进行了表征。光谱学，氮吸附-解吸分析，透射电子显微镜（TEM），扫描电子显微镜（SEM）和能量分散光谱（EDS）。还对电极进行了循环伏安法和光电流响应测量。 Pd-ZnO-EG电极用于在中性pH值和7 mA cm〜（？2）的电流密度下光电催化除去作为目标水污染物的4-硝基苯酚。光学研究表明，Pd-ZnO-EG在可见光区域吸收强。 Pd-ZnO-EG电极相对于ZnO-EG和EG电极具有更好的光电催化活性，可去除4-硝基苯酚。光电流响应表明，Pd-ZnO-EG纳米复合电极可以用作光电催化过程和环境修复（如工业废水处理）的良好光电极。使用密度泛函理论方法模拟了羟基自由基对4-硝基苯酚的氧化降解，该羟基产生对苯二酚，苯醌，4-硝基邻苯二酚，4-硝基间苯二酚和4-硝基苯酚环的开环。此外，羟基自由基被再生并且可以进一步氧化环结构并引发新的降解过程。

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