2026
Accelerated discovery of M6@g-N4 catalysts for CO2 electroreduction via machine learning and DFT: descriptor engineering and activity trend validation.
P. Cheng, Hongyang Xu, Xiao-Xia Wang, Xiaoxiang Wang, Tian-Ci Wang, Chenyuan Yu, Wencong Sun, Yun Li, Wei-Jia Huang, Chun-Guang Chen
Physical Chemistry, Chemical Physics - PCCP