Rational Design of Trimetallic Alloy for a High‐Performance and Selective Nitrogen Reduction Electrocatalysis

Electrocatalytic nitrogen reduction is a vital strategy for green ammonia production. However, this is highly challenged by poor selectivity, and hence, the development of novel catalysts is scanty. The present research provides insight into the development of a new trimetallic alloy, CuAgMo, on multiwalled carbon nanotubes (MWCNT) for the nitrogen reduction reaction (NRR). Based on characterization techniques, the XRD shows successful growth of the trimetallic alloy on the MWCNT surface, and SEM–HRTEM images present the growth of CuAgMo nanoclusters on MWCNT and the existence of an interface. X‐ray Absorption Spectroscopy (XAS) analysis confirms the reduction of metals toward cluster formation that could act as an active site for nitrogen reduction. The resulting CuAgMo@CNT nanocluster exhibits high activity and selectivity, achieving a Faradaic efficiency of 38.8% at −1.5 V versus the reversible hydrogen electrode in a 0.5 M KOH electrolyte. Furthermore, chronoamperometry shows that the electrocatalyst demonstrated stability for 90 h, outperforming most recently reported electrocatalysts for NRR. The outcomes of the present research demonstrate a feasible pathway for the rational design of electrocatalysts for N ₂ fixation.