Activity Trend and Selectivity of Electrochemical Ammonia Synthesis in Reverse Artificial Nitrogen Cycle

Ammonia is important for modern agriculture and food production as it is a major source of fertilizer. Electrochemical ammonia synthesis (EAS) with sustainable energy generated electricity and decentralized reactors has been considered as environmentally friendly process. Several nitrogen sources have been considered and intensively studied in experiments and computations. Recently, it has been proposed and demonstrated that nitrogen oxides (NOx ) electroreduction for selective ammonia production is feasible. Fundamental insights on experimental observation are necessary for more rational design of catalysts and reactors in the future. In this concept, we review the theoretical and computational insights of electrochemical nitrogen oxides reduction, particularly, the activity trend over diverse transition metal catalysts and products selectivity at varying potentials. Finally, we address the opportunities and challenges in the reverse artificial nitrogen cycle, as well as fundamental issues in electrochemical reaction modelling.