The Key Steps and Distinct Performance Trends of Pyrrolic vs. Pyridinic M-N-C Catalysts in Electrocatalytic Nitrate Reduction
Through combined theoretical modeling and experimental validation, this study elucidates the distinct performance trends and rate-determining mechanisms of pyrrolic versus pyridinic M-N-C catalysts in electrochemical nitrate reduction, revealing that adsorption and protonation of nitrate govern the reaction while demonstrating the limitations of classical thermodynamic models in accurately predicting catalytic performance.