Enhancing electrocatalytic <scp> N ₂ </scp> reduction via tailoring the electric double layers

The electrocatalytic nitrogen reduction reaction (NRR) for NH3 synthesis is still far from being practical and competitive with the common Haber–Bosch process. rational design of highly selective NRR electrocatalyst therefore urgently needed, which requires a deep understanding both electrode–electrolyte interface mass transport reactants. Here, we develop theoretical framework that includes electric double layer (EDL), transport, kinetics. This allows us to evaluate roles near-electrode environment N2 diffusion on selectivity activity. EDL, as immediate environment, remarkably impedes cathode surface at high electrode potentials, explains experimental observations. article also gives microscopic insights into interplay between activity under nano-confinement, providing guidance future advanced systems.