Curvature-triggered synergistic electronic and structural effects engineering of metal phthalocyanines on 2D-C60 for enhanced four-electron oxygen reduction.

Curvature modulation on 2D-C60 substrates offers a viable strategy for regulating the active microenvironment of transition metal phthalocyanines (MPcs). First-principles calculations demonstrate that the intrinsic curvature of C60 induces molecular bending of MPcs, which optimizes the adsorption of critical *OH and *OOH intermediates. This curvature-driven regulation coupled with substrate-induced electronic and structural effects effectively boosts the four-electron ORR performance of MPcs, outperforming conventional planar graphene-supported counterparts.