Main-group indium single-atom catalysts for electrocatalytic NO reduction to NH3

Abstract

Main-group metal elements show great potential for exploring high-performance catalysts for electrochemical reduction of NO to NH₃ (NORR) but remain largely unexplored. Herein, as a proof-of-concept, main-group In single atoms confined in an amorphous MoO₃ substrate (In₁/a-MoO₃) are explored as an efficient NORR catalyst, showing a maximum NH₃ yield of 242.6 μmol h⁻¹ cm⁻² and NH₃-faradaic efficiency of 92.8%. Further experiments and theoretical results identify single-site In atoms as the dominating active centers to simultaneously inhibit the hydrogen evolution and optimize the hydrogenation energetics of the NO-to-NH₃ pathway.