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Visible–light driven photocatalytic degradation of bisphenol-A using ultrasonically synthesized polypyrrole/K-birnessite nanohybrids: Experimental and DFT studies.

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Title: Visible–light driven photocatalytic degradation of bisphenol-A using ultrasonically synthesized polypyrrole/K-birnessite nanohybrids: Experimental and DFT studies.
Authors: Zia, Jannatun1, Ajeer, Mohamed1, Riaz, Ufana1 uriaz@jmi.ac.in
Source: Journal of Environmental Sciences (Elsevier). May2019, Vol. 79, p161-173. 13p.
Subjects: Manganese oxides, Semiconductor characterization, Conducting polymers, Bisphenol A, Polypyrrole, Photocatalysis
Abstract: Abstract Although manganese oxides are known for their semiconductor characteristics, the photocatalytic performance of conducting polymer intercalated K-Birnessite (K-Bi) has not been explored till date. With the view to design a visible light driven organic–inorganic hybrid photocatalyst for rapid degradation of Bisphenol A (BPA), the present work reports the ultrasound-assisted green synthesis of K-Bi/polypyrrole (Ppy) nanohybrids. The loading of Ppy in K-Bi was confirmed by thermogravimetric analysis while the formation of organic–inorganic hybrid was confirmed by infrared spectroscopy. K-Bi revealed a band gap of 2.8 eV while for the nanohybrids it was found to be ranging between 2.4 and 1.6 eV. X-ray diffraction studies confirmed partial intercalation of Ppy chains in the inter-layer space of K-Bi. High resolution transmission electron microscopy and scanning electron microscopy studies showed mixed morphology of K-Birnessite/Ppy nanohybrids. Rapid degradation of BPA was observed under visible irradiation in presence of K-Bi/Ppy nanohybrids and almost 90% degradation of 20 mg/L BPA solution was achieved within 120 min. The degradation was found to follow pseudo-first order kinetics and the degraded fragments were identified using liquid chromatography-mass spectrometry. Degradation pathway was proposed based on density-functional theory calculations of fukui index predicting the radical easy-attacking (f0) and (f-) sites in BPA. Graphical abstract Unlabelled Image [ABSTRACT FROM AUTHOR]
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Database: Engineering Source
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Abstract:Abstract Although manganese oxides are known for their semiconductor characteristics, the photocatalytic performance of conducting polymer intercalated K-Birnessite (K-Bi) has not been explored till date. With the view to design a visible light driven organic–inorganic hybrid photocatalyst for rapid degradation of Bisphenol A (BPA), the present work reports the ultrasound-assisted green synthesis of K-Bi/polypyrrole (Ppy) nanohybrids. The loading of Ppy in K-Bi was confirmed by thermogravimetric analysis while the formation of organic–inorganic hybrid was confirmed by infrared spectroscopy. K-Bi revealed a band gap of 2.8 eV while for the nanohybrids it was found to be ranging between 2.4 and 1.6 eV. X-ray diffraction studies confirmed partial intercalation of Ppy chains in the inter-layer space of K-Bi. High resolution transmission electron microscopy and scanning electron microscopy studies showed mixed morphology of K-Birnessite/Ppy nanohybrids. Rapid degradation of BPA was observed under visible irradiation in presence of K-Bi/Ppy nanohybrids and almost 90% degradation of 20 mg/L BPA solution was achieved within 120 min. The degradation was found to follow pseudo-first order kinetics and the degraded fragments were identified using liquid chromatography-mass spectrometry. Degradation pathway was proposed based on density-functional theory calculations of fukui index predicting the radical easy-attacking (f0) and (f-) sites in BPA. Graphical abstract Unlabelled Image [ABSTRACT FROM AUTHOR]
ISSN:10010742
DOI:10.1016/j.jes.2018.11.021