Bimetallic phthalocyanine heterostructure used for highly selective electrocatalytic CO2 reduction

Heterogeneous molecular catalysts, such as metal phthalocyanines, are efficient electrocatalysts for CO 2 reduction reaction (CO 2 RR). However, the rational design and synthesis of a molecular catalyst-based heterostructure for CO 2 RR remains challenging. Herein, we developed a crystalline bimetallic phthalocyanine heterostructure electrocatalyst (CoPc/FePc HS), which achieved an excellent CO 2 -to-CO conversion efficiency (99%) and outstanding long-term stability after 10 h of electrocatalysis. Density functional theory calculations revealed that the enhancement of CO 2 RR performance could be attributed to the distinct electron transfer pattern between FePc and CoPc. The heterostructural engineering in molecular catalysts would inspire a unique approach for improving CO 2 RR performance.