The photocatalytic degradation of Bisphenol-A (BPA) by the nanosheets Bi2O3

来源 :第七届国际理论化学、分子模拟和生命科学研讨会暨科学计算和模拟软件发展平台学术交流会 | 被引量 : 0次 | 上传用户:ntudqliweiwei
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  The photocatalytic degradation of Bisphenol-A (BPA) by the nanosheets Bi2O3 under visible light irradiation has been investigated experimentally and theoretically.The effects of the photocatalyst Bi2O3 on the degradation and mineralization have been examined by UV-visible absorption and total organic carbon (TOC) analysis.Bi2O3 plays an important role in degrading and mineralizing BPA finally to CO2 and H2O.The UV-visible absorption of BPA and the amount of TOC have been decreased obviously in 30 minutes.The intermediate products have been analyzed by HPLC and LC-MS,and three possible intermediates have been detected,which are m/z 151,m/z 133,and m/z 137.The DFT calculations were carried out by the hybrid B3LYP functional with double-zeta LanL2DZ basis set.We first treat the photocatalyst Bi2O3 as a reactant in the reaction,and realize the active sites molecularization to explore the photocatalysis mechanism on the level of molecule,finally five intermediates are obtained,three experimently detected by the LC-MS,as might be methyl phydroxybenzoate,4-isopropenylphenol,and p-hydroxybenzoic acid,respectively.The other two intermediates which were not detected by experiment are hydroquinone and 4-hydroxyacetophenone.A reasonable pathway of photocatalytic degradation of BPA by Bi2O3 is presented.
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