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 NH 3 conversion can be realized on O-Ni 2 -Pc and O-Cu 2 -Pc. A 2-N product, N 2 O, can be synthesized on Co 2 -Pc, Cr 2 -Pc, O-Co 2 -Pc, and O-Fe 2 -Pc through N-N coupling with high NO coverage. Δ E NO can be identified as a valid descriptor to support rational M 2 -Pc design.