Enhancing Photocatalytic CO <sub>2</sub> RR by Modulating the Active Sites of COF‐Based Catalysts
The catalytic conversion of CO<sub>2</sub> into valuable chemicals using metalized covalent organic frameworks (COFs) as catalysts is a promising method for reducing atmospheric CO<sub>2</sub> 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<sub>2</sub> to CO reduction rate is 6182.5 µmol g<sup>-1</sup> h<sup>-1</sup> for Ni-TAPT-Tp, but only 1615.4 µmol g<sup>-1</sup> h<sup>-1</sup> for Ti-TAPT-Tp. Density functional theory (DFT) simulations further demonstrate that for intermediates <sup>*</sup>CO<sub>2</sub>, <sup>*</sup>COOH, and <sup>*</sup>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 CO<sub>2</sub>RR. This work provides a reference for optimizing the coordination structure of M-COFs to obtain highly active and selective CO<sub>2</sub>RR.
Authors
- Chuanlei Zhang (ORCID: https://orcid.org/0000-0002-4474-1973)
- Dengmengfei Xiao (ORCID: https://orcid.org/0000-0002-7001-8201)
- Xiaomin Yuan (ORCID: https://orcid.org/0000-0001-6370-2390)
- Chenglong Zhao (ORCID: https://orcid.org/0000-0003-0286-8156)
Institutions
- Southern University of Science and Technology (CN)
- Anqing Normal University (CN)
Publication Details
- Journal
- Small
- Published
- 2025-01-16
- DOI
- https://doi.org/10.1002/smll.202411316
- Citations
- 22
- Primary Topic
- Covalent Organic Framework Applications
- Type
- article
- Field-Weighted Citation Impact
- 11.39
Funders
- National Natural Science Foundation of China
- Anhui Provincial Department of Education