Kinetic Mechanisms of M-N-C Electrocatalysts

Single metal atoms embedded in nitrogen doped graphene (M-N-C) has attracted wide interest as electrocatalysts for various reactions. Although there have been many studies on the thermodynamic mechanisms (mostly based on computational hydrogen electrode model or its variants/derivations), the kinetic mechanisms are less understood partly due to the complexity of simulating reaction kinetics at electrochemistry interface. Using an advanced model developed recently in my group, I will show its application to elucidate the mechanisms of M-N-C for CO2 reduction and oxygen reduction.