Constant-Potential DFT Insights into CO₂ Electroreduction on Fe3 and Cu3 Clusters Supported by N-Doped Graphene

Chem. Commun., 2026, Accepted Manuscript DOI: 10.1039/D6CC01652A, Communication Zishang Mou, Jing-Yao Liu Constant-potential DFT reveals distinct CO₂ reduction behavior onFe₃ and Cu₃ clusters supported on N-doped graphene. Fe₃@NG enables deep reduction toward CH₄ at mild cathodic bias, whereas Cu₃@NG remains limited by...