Precise Design of Nanoclusters for Efficient Nitrate-to-Ammonia Conversion.

Atomically precise metal nanocluster (MNC) catalysts represent a significant advancement in electrocatalysis, particularly for the electrocatalytic nitrate reduction reaction (eNO3RR). Their distinct structural features, which include precisely defined geometric and electronic configurations, enhance catalytic performance. Additionally, low nuclearity MNCs possess unique metallic properties that exhibit various active sites, optimizing the adsorption and conversion of nitrate intermediates. This functionality is vital for improving both reaction kinetics and selectivity during eNO3RR. Recent investigations have shown that by precisely adjusting the size, ligand, and composition of these nanoclusters, researchers can achieve specific electrochemical properties beneficial for eNO3RR. Capitalizing on their atomically precise nature can significantly enhance the efficiency and sustainability of eNO3RR processes. MNCs also offer the flexibility to explore diverse ligands, supporting materials, and integration with other catalytic frameworks to further enhance eNO3RR activity. In this Perspective, we aim to consolidate recent advancements in the development and application of atomically precise MNCs in eNO3RR, emphasizing their potential to transform electrocatalytic processes and contribute to cleaner nitrogen cycle. We hope that this Perspective will motivate more researchers to delve into the various dimensions of MNCs to deepen their understanding of the structure-activity correlations in eNO3RR and beyond.