The work is financially supported by the National Natural Science Foundation of China (nos. 21777051, 21707039, and 51702112), the Recruitment Program of Global Young Experts start-up funds, National Engineering Laboratory for Mobile Source Emission Control Technology (NELMS2017A11 and NELMS2018A08), the Program of Introducing Talents of Discipline to Universities of China (111 program, B17019). Hubei International Scientific and Technological Cooperation Base of Pesticide and Green Synthesis is also acknowledged. The authors would also like to thank Drs. Sha Li and Ming Yang for their constructive discussion on the DFT modeling.