Electrocatalysis, particularly the nitrate reduction reaction (NO₃RR), stands as a pivotal technology for sustainable energy conversion and carbon reduction. It presents an innovative approach to treating polluted water and synthesizing green ammonia. This reaction transforms nitrate into ammonia through a series of proton-electron transfers. However, it involves fleeting nitrogen-containing intermediates (such as *NO₂ and *NO₂H), resulting in intricate interfacial reaction kinetics and a scarcity of molecular-level mechanistic insights.

Recent studies, leveraging in situ spectroscopy and theoretical calculations, have shed light on key mechanisms. For example, the team from Peking University found that Li⁺ stabilizes reaction intermediates by forming interfacial coordination with *NO₂, a process modulated by the local electric field. Meanwhile, the enzyme-mimicking catalyst designed by the Chinese Academy of Sciences team tackled the kinetic mismatch in multi-step reactions through tandem catalysis at dual active sites. Furthermore, the NiCoFeOOH catalyst developed by the Jilin University team achieved efficient and stable operation at ampere-level current densities by triggering atomic-scale structural resonance via a strongly correlated electron system.

These advancements not only clarify the mechanisms of proton transfer, intermediate stabilization, and electron coupling but also offer novel strategies for designing high-performance electrocatalysts. They pave the way for advancing NO₃RR technology towards industrial applications.