Advancing electrocatalytic conversion technologies for nitrogen-based molecules: From theoretical guidance to catalyst design

This review focuses on key solutions, potential applications, reaction mechanisms, evaluation criteria, and challenges in electrocatalytic nitrogen fixation and conversion, specifically addressing N 2 /NO x − /NO reduction, C-N coupling, and N-O hydrogenation, while highlighting recent achievements and proposed strategies. The electrocatalytic conversion of inorganic nitrogen-containing molecules (e.g., N 2 , NO x − , NO, and N-O-containing compounds) into high-value nitrogenous organic chemicals using renewable electricity and sustainable methodologies represents a transformative strategy for advancing chemical synthesis, reducing carbon footprints, and promoting environmental sustainability. This process encompasses diverse reaction pathways, including N 2 /NO x − /NO reduction, C-N coupling, N-O bond hydrogenation, and selective cleavage of inert nitrogen bonds, with precise control over reaction intermediates being critical to achieving targeted products. High-performance electrocatalysts are pivotal for overcoming substantial thermodynamic barriers, accelerating reaction kinetics, and ensuring high product selectivity, making their rational design a central research focus. Unlike conventional reviews that primarily explore catalyst types and electronic structures, this review adopts a practical perspective, emphasizing scalable solutions and industrial applications. It offers a comprehensive analysis of reaction mechanisms, performance evaluation metrics, and scientific challenges in electrocatalytic nitrogen fixation and transformation. Recent advancements, including novel catalyst architectures, optimized reaction conditions, and integrated system designs, are critically evaluated. By highlighting emerging opportunities and future research directions, this review aims to guide the development of energy-efficient, environmentally sustainable technologies for nitrogen valorization, fostering their industrial adoption and contributing to global sustainability goals.