Enhanced N 2 Adsorption and Activation by Combining Re Clusters and In Vacancies as Dual Sites for Efficient and Selective Electrochemical NH 3 Synthesis.

The electrochemical N 2 reduction reaction (NRR) is a green and energy-saving sustainable technology for NH 3 production. However, high activity and high selectivity can hardly be achieved in the same catalyst, which severely restricts the development of the electrochemical NRR. In 2 Se 3 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 In 2 Se 3 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-In 2 Se 3 -V In /CC catalyst delivers a high NH 3 yield rate (26.63 μg h -1 cm -2 ) and high FEs (30.8%) at -0.5 V vs RHE.