Charge-state-regulated transition metal doped g-C 3 N 3 for the electrochemical nitrogen reduction reaction: defect physics and constant potential study

The NN bond length strongly correlates with NRR activity and can be effectively tuned by the magnetic moment ( μ total ) and the d-band center ( ε d ) of TM@g-C 3 N 3 . The charge state can induce μ total and ε d relocation, thus improving the NRR performance.