Enhanced ORR activity of carbon defects via substituent-modulated electronic perturbation

Abstract

Substituent-modulation induced electronic perturbations can fine-tune the charge cloud distribution around carbon defects. The transfer of electrons from electron-donating substituents to carbon defects will lead to lower p_z band center of carbon atoms, stronger C–O bonds, narrower band gaps, and asymmetric orbital distribution, consequently enhancing the ORR thermodynamic activity and kinetic efficiency.