Single Atoms of Iron on MoS2 Nanosheets for N2 Electroreduction into Ammonia

Abstract Efforts have been devoted to achieving a highly efficient artificial synthesis of ammonia (NH 3 ). Reported herein is a novel Fe‐MoS 2 catalyst with Fe atomically dispersed onto MoS 2 nanosheets, imitating natural nitrogenase, to boost N 2 electroreduction into NH 3 at room temperature. The Fe‐MoS 2 nanosheets exhibited a faradic efficiency of 18.8 % with a yield rate of 8.63 μg mg cat. −1 h −1 for NH 3 at −0.3 V versus the reversible hydrogen electrode. The mechanism study revealed that the electroreduction of N 2 was promoted and the competing hydrogen evolution reaction was suppressed by decorating the edge sites of S in MoS 2 with the atomically dispersed Fe, resulting in high catalytic performance for the electroreduction of N 2 into NH 3 . This work provides new ideas for the design of catalysts for N 2 electroreduction and strengthens the understanding about N 2 activation over Mo‐based catalysts.