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Wen's Research Group
Jul. 2022: Dr. Zhang’ group member, Shan Xue, delivered a poster at Gordon Research Conference on Nanoscale Science and Engineering for Agriculture and Food Systems.
Phone: (973) 596-5520
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Jul. 2022: Dr. Zhang’ group successfully co-organized and participated the CAPEES Workshop and Banquet events at AEESP in June 2022.
Photocatalytically Reductive Defluorination of Perfluorooctanoic Acid (PFOA) using Pt/La2Ti2O7 Nanoplates: Experimental and DFT Assessment
Dr. Wen Zhang’s group in New Jersey Institute of Technology published a video article in Journal of Hazardous Materials (JHM). They reported the use of Pt-doped lanthanum titanate nanoplate catalysts to achieve the reductive defluorination of perfluorooctanoic acid and used Density functional theory (DFT) calculation and analysis of the influence of Pt doping and energy band structure on the interface electron transfer and degradation pathways. Perfluorooctanoic acid (PFOA) is very difficult to be degraded due to its strong carbon-fluorine bond. Photocatalytic degradation technology has attracted more and more attention due to its potential high efficiency in the degradation and mineralization of refractory organic pollutants. As reported in this paper, doping platinum nanoparticles on the surface of lanthanum titanate can change its band structure and further improve the photocatalytic activity due to enhanced charge separation. Methanol as an electron donor and sacrificial reagent significantly promotes the photocatalytic reduction and degradation of perfluorooctanoic acid. Density functional theory is a powerful predictive method used to determine the thermodynamics and kinetics of chemical reactions. It has been successfully applied to explain the conversion mechanism and model the conversion pathways of organic pollutants. In this paper, the DFT calculations proved that Pt dopants changed the impurity energy state and narrowed the band gap of La2Ti2O7, and further calculations verified the degradation mechanism of the hydrodefluorination of PFOA molecules.