Revealing the origin of activity in phthalocyanine-based dual-metal sites towards electrochemical nitric oxide reduction

Coordinated ligands play crucial roles in tuning the electrochemical nitrate reduction performance of phthalocyanine (Pc)-based dual atom catalysts. With the assistance of axial O ligands, fast NO to NH3 conversion can be realized on O-Ni2-Pc and O-Cu2-Pc. A 2-N product, N2O, can be synthesized on Co2-Pc, Cr2-Pc, O-Co2-Pc, and O-Fe2-Pc through N-N coupling with high NO coverage. ΔENO can be identified as a valid descriptor to support rational M2-Pc design.