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 electron from electron-donating substituent 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 ORR thermodynamic activity and kinetic efficiency.