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Enhancing Photocatalytic CO 2 RR by Modulating the Active Sites of COF-Based Catalysts.
- Source :
-
Small (Weinheim an der Bergstrasse, Germany) [Small] 2025 Jan 16, pp. e2411316. Date of Electronic Publication: 2025 Jan 16. - Publication Year :
- 2025
- Publisher :
- Ahead of Print
-
Abstract
- The catalytic conversion of CO <subscript>2</subscript> into valuable chemicals using metalized covalent organic frameworks (COFs) as catalysts is a promising method for reducing atmospheric CO <subscript>2</subscript> 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 <subscript>2</subscript> to CO reduction rate is 6182.5 µmol g <superscript>-1</superscript>  h <superscript>-1</superscript> for Ni-TAPT-Tp, but only 1615.4 µmol g <superscript>-1</superscript>  h <superscript>-1</superscript> for Ti-TAPT-Tp. Density functional theory (DFT) simulations further demonstrate that for intermediates <superscript>*</superscript> CO <subscript>2</subscript> , <superscript>*</superscript> COOH, and <superscript>*</superscript> 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 <subscript>2</subscript> RR. This work provides a reference for optimizing the coordination structure of M-COFs to obtain highly active and selective CO <subscript>2</subscript> RR.<br /> (© 2025 Wiley‐VCH GmbH.)
Details
- Language :
- English
- ISSN :
- 1613-6829
- Database :
- MEDLINE
- Journal :
- Small (Weinheim an der Bergstrasse, Germany)
- Publication Type :
- Academic Journal
- Accession number :
- 39822076
- Full Text :
- https://doi.org/10.1002/smll.202411316