Tuning the MN <sub>4</sub> plane in π-conjugated metal-phthalocyanine networks toward efficient CO <sub>2</sub> electroreduction: a DFT-ML study
This study screened CuN 2 C 2 -Pc and FeN 2 O 2 -Pc as efficient CO 2 reduction catalysts via DFT and machine learning. With limiting potentials of 0.29 V and 0.28 V, they significantly outperform traditional precious metal catalysts.
Institutions
- North China Institute of Aerospace Engineering (CN)
Publication Details
- Journal
- Journal of Materials Chemistry A
- Published
- 2025-12-08
- DOI
- https://doi.org/10.1039/d5ta07928d
- Primary Topic
- CO2 Reduction Techniques and Catalysts
- Type
- article
- Field-Weighted Citation Impact
- 0.00