Rational design in single-atom nanoalloys for electrochemical carbon dioxide and nitrate conversion: a minireview

Single-atom nanoalloys (SAAs), consisting of atomically dispersed guest metals embedded within conductive metallic host lattices, have emerged as a promising class of electrocatalysts for the sustainable conversion of carbon and nitrogen. Compared with conventional alloy nanoparticles and single-atom catalysts, SAAs provide local atomic coordination and intermetallic charge transfer, enabling efficient regulation of intermediate adsorption, proton-coupled electron-transfer kinetics, and catalytic selectivity. However, few reviews have systematically elucidated the rational design of atomically engineered metal sites for carbon and nitrogen conversion. To bridge this gap, this minireview focuses on rationally designed SAAs for electrocatalytic carbon dioxide reduction, nitrate reduction, and C-N coupling, emphasizing the relationships among electronic structure modulation, intermetallic charge transfer, coordination environments, and intermediate adsorption. Moreover, the fundamental reaction mechanisms of carbon dioxide reduction, nitrate reduction, and C-N coupling are discussed to emphasize the pathways among reaction intermediates. Finally, current challenges and future opportunities are discussed, including scalable synthesis, durability enhancement, structural uniformity, electrochemical technologies Integration, and fundamental understanding. By integrating these perspectives, this minireview aims to provide a comprehensive framework for the rational design of next-generation atomically mixed nanoalloys for sustainable electrocatalytic carbon and nitrogen.