◆ Journal of Materials Chemistry A2025-12-08· Limiting
Tuning the MN <sub>4</sub> plane in π-conjugated metal-phthalocyanine networks toward efficient CO <sub>2</sub> electroreduction: a DFT-ML study
Yilei Yue, Qiaobin Liu, Bo Yang, Jianyu Liu, Tong Liu, Linan Xu, Jun Zhong, Song Lin
原始摘要（英文原文）· Original abstract
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.
Tuning the MN <sub>4</sub> plane in π-conjugated metal-phthalocyanine networks toward efficient CO <sub>2</sub> electroreduction: a DFT-ML study — 科研速览 Science Skim