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Application of Z–Scheme CdS WO3 Nanocomposite for Photodegradation of Ethylparaben under Irradiation with Visible Light: A Combined Experimental and Theoretical Study
ChemistrySelect ( IF 1.9 ) Pub Date : 2018-09-11 , DOI: 10.1002/slct.201802136 Eric Mwangi Ngigi 1 , Ephraim Muriithi Kiarii 1 , Philiswa Nosizo Nomngongo 1 , Catherine Jane Ngila 1
ChemistrySelect ( IF 1.9 ) Pub Date : 2018-09-11 , DOI: 10.1002/slct.201802136 Eric Mwangi Ngigi 1 , Ephraim Muriithi Kiarii 1 , Philiswa Nosizo Nomngongo 1 , Catherine Jane Ngila 1
Affiliation
|
The CdS
WO3 nanocomposite was successfully synthesized using the hydrothermal method. The catalytic capacity of CdS
WO3 nanocomposite was evaluated based on various parameters, such as pH, catalyst load, bicarbonate and persulfate concentrations. The ratios of CdS to WO3 was also examined to acquire the photocatalytic performance in addition, the by–products and pathway were also studied. The findings showed that CdS
WO3 (ratio 3:7) produced better photodegradation performance in comparison to CdS
WO3 (ratio 1:1). Also, from the same investigation, the CdS
WO3 nanocomposite exhibited a slightly higher catalytic ability in the presence of 150 mg L–1 S2O82– ions (at pH 3) than with bicarbonate ions. A 40% degradation was observed in the presence of 150 mg L–1 S2O82– ions (at pH 3). Moreover, about 38% of adsorption was observed with bicarbonate ions. In this study, we systematically reveal the underlying mechanism of the improved photoactivity of CdS–WO3 nanocomposite using a hybrid density functional theory calculation. The interfacial interaction led to the formation of a built–in internal electric field at the CdS–WO3 interface to promote the separation of charge carriers, The theoretical results rationalise the experimental findings and offer a new understanding of the underlying mechanism of the photoactivity of CdS–WO3 nanocomposite. The degradation pathway of Ethylparaben, which involved dealkylation of ethyl unit was proposed.
中文翻译：
Z-方案CdS WO3纳米复合材料在可见光照射下光降解对羟基苯甲酸乙酯的实验和理论研究
利用水热法成功合成了CdS
WO 3纳米复合材料。基于各种参数，例如pH，催化剂负载，碳酸氢盐和过硫酸盐浓度，评估了CdS
WO 3纳米复合材料的催化能力。此外，还研究了CdS与WO 3的比例以获取光催化性能，还研究了副产物和途径。该发现表明，与CdS
WO 3（比率1：1）相比，CdS
WO 3（比率3：7）产生了更好的光降解性能。同样，根据同一调查，CdS
WO 3在150 mg L –1 S 2 O 8 2–离子存在下（在pH 3下），纳米复合材料的催化能力比碳酸氢根离子高。在150 mg L –1 S 2 O 8 2–离子存在下（在pH 3下）观察到40％的降解。此外，碳酸氢根离子观察到约38％的吸附。在这项研究中，我们使用混合密度泛函理论计算系统地揭示了CdS–WO 3纳米复合材料光活性提高的潜在机理。界面相互作用导致在CdS–WO 3处形成内置的内部电场界面促进电荷载流子的分离，理论结果使实验结果合理化，并为CdS–WO 3纳米复合材料光活性的潜在机理提供了新的认识。提出了对羟基苯甲酸乙酯的降解途径，该途径涉及乙基单元的脱烷基化。
更新日期：2018-09-11
WO3 nanocomposite was successfully synthesized using the hydrothermal method. The catalytic capacity of CdS
WO3 nanocomposite was evaluated based on various parameters, such as pH, catalyst load, bicarbonate and persulfate concentrations. The ratios of CdS to WO3 was also examined to acquire the photocatalytic performance in addition, the by–products and pathway were also studied. The findings showed that CdS
WO3 (ratio 3:7) produced better photodegradation performance in comparison to CdS
WO3 (ratio 1:1). Also, from the same investigation, the CdS
WO3 nanocomposite exhibited a slightly higher catalytic ability in the presence of 150 mg L–1 S2O82– ions (at pH 3) than with bicarbonate ions. A 40% degradation was observed in the presence of 150 mg L–1 S2O82– ions (at pH 3). Moreover, about 38% of adsorption was observed with bicarbonate ions. In this study, we systematically reveal the underlying mechanism of the improved photoactivity of CdS–WO3 nanocomposite using a hybrid density functional theory calculation. The interfacial interaction led to the formation of a built–in internal electric field at the CdS–WO3 interface to promote the separation of charge carriers, The theoretical results rationalise the experimental findings and offer a new understanding of the underlying mechanism of the photoactivity of CdS–WO3 nanocomposite. The degradation pathway of Ethylparaben, which involved dealkylation of ethyl unit was proposed.
中文翻译：
Z-方案CdS WO3纳米复合材料在可见光照射下光降解对羟基苯甲酸乙酯的实验和理论研究
利用水热法成功合成了CdS
WO 3纳米复合材料。基于各种参数，例如pH，催化剂负载，碳酸氢盐和过硫酸盐浓度，评估了CdS
WO 3纳米复合材料的催化能力。此外，还研究了CdS与WO 3的比例以获取光催化性能，还研究了副产物和途径。该发现表明，与CdS
WO 3（比率1：1）相比，CdS
WO 3（比率3：7）产生了更好的光降解性能。同样，根据同一调查，CdS
WO 3在150 mg L –1 S 2 O 8 2–离子存在下（在pH 3下），纳米复合材料的催化能力比碳酸氢根离子高。在150 mg L –1 S 2 O 8 2–离子存在下（在pH 3下）观察到40％的降解。此外，碳酸氢根离子观察到约38％的吸附。在这项研究中，我们使用混合密度泛函理论计算系统地揭示了CdS–WO 3纳米复合材料光活性提高的潜在机理。界面相互作用导致在CdS–WO 3处形成内置的内部电场界面促进电荷载流子的分离，理论结果使实验结果合理化，并为CdS–WO 3纳米复合材料光活性的潜在机理提供了新的认识。提出了对羟基苯甲酸乙酯的降解途径，该途径涉及乙基单元的脱烷基化。
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