2D Catalysts for Electrocatalytic Nitrate Reduction and C–N Coupling Reactions

Abstract Powering the electrochemical nitrate reduction reaction (NO ₃ ⁻RR) by renewable energy is a sustainable way to restore the environment and produce nitrogen–hydrogen compounds. However, the process requires multiple electron transfers and complex reaction paths, making it essential to understand the reaction mechanisms at the molecular level. In this regard, 2D materials attract significant interest due to their large surface area, tunable electronic structures, and suitability as model catalysts for studying structure–activity relationships. Advances in the use of 2D materials in the electrocatalytic NO ₃ ⁻RR and C–N coupling reactions are analyzed and elucidated the influence of various 2D catalyst design strategies on reaction mechanisms. Using advanced in situ/operando measurement techniques, conducting rigorous theoretical analyses, and scaling up industrial electrolyzers are pivotal to unlocking the practical potential of the NO ₃ ⁻RR and beyond. A map for developing next‐generation electrocatalysts and devices is provided to enable a sustainable and efficient nitrogen cycle using electrocatalysis.