Yuan Xiao-Min, Xiao Deng-Meng-Fei, Zhao Cheng-Long, Zhang Chuan-Lei
Anhui Provincial Key Laboratory of Advanced Catalysis and Energy Materials, Anhui Ultra High Molecular Weight Polyethylene Fiber Engineering Research Center, School of Chemistry and Chemical Engineering, Anqing Normal University, Anqing, 246133, P. R. China.
Shenzhen Grubbs Institute and Department of Chemistry, Guang-dong Provincial Key Laboratory of Catalysis, Southern University of Science and Technology Shenzhen, Shenzhen, 518055, P. R. China.
Small. 2025 Mar;21(10):e2411316. doi: 10.1002/smll.202411316. Epub 2025 Jan 16.
The catalytic conversion of CO into valuable chemicals using metalized covalent organic frameworks (COFs) as catalysts is a promising method for reducing atmospheric CO levels. Herein, a aldehyde-amine COF (TAPT-Tp) at room temperature and pressure and their metallized results is synthesized, Ni-TAPT-Tp and Ti-TAPT-Tp. The photocatalytic results indicate that the CO to CO reduction rate is 6182.5 µmol g h for Ni-TAPT-Tp, but only 1615.4 µmol g h for Ti-TAPT-Tp. Density functional theory (DFT) simulations further demonstrate that for intermediates CO, COOH, and CO, the energy of Ni-TAPT-Tp is consistently lower than that of Ti-TAPT-Tp, indicating that Ni-TAPT-Tp exhibits superior photocatalytic performance for CORR. This work provides a reference for optimizing the coordination structure of M-COFs to obtain highly active and selective CORR.
