Enhanced N₂ Adsorption and Activation by Combining Re Clusters and In Vacancies as Dual Sites for Efficient and Selective Electrochemical NH₃ Synthesis

The electrochemical N-2 reduction reaction (NRR) is a green and energy-saving sustainable technology for NH3 production. However, high activity and high selectivity can hardly be achieved in the same catalyst, which severely restricts the development of the electrochemical NRR. In2Se3 with partially occupied p-orbitals can suppress the H-2 evolution reaction (HER), which shows excellent selectivity in the electrochemical NRR. The presence of V-In can simultaneously provide active sites and confine Re clusters through strong charge transfer. Additionally, well-isolated Re clusters stabilized on In2Se3 by the confinement effect of V-In result in Re-V-In active sites with maximum availability. By combining Re clusters and V-In as dual sites for spontaneous N-2 adsorption and activation, the electrochemical NRR performance is enhanced significantly. As a result, the Re-In2Se3-V-In/CC catalyst delivers a high NH3 yield rate (26.63 mu g h(-1) cm(-2)) and high FEs (30.8%) at -0.5 V vs RHE.