Interface engineering of MoS2@Fe(OH)3 nanoarray heterostucture: Electrodeposition of MoS2@Fe(OH)3 as N2 and H+ channels for artificial NH3 synthesis under mild conditions.

Abstract The electrocatalytic reduction of nitrogen (N2) to ammonia (NH3) has broad prospects for green and sustainable NH3 production. Due to the electrocatalytic nitrogen reduction reaction (eNRR) performance of transition metal compound may be restricted with low yield rate, we develop transition metal interface engineering to improve the eNRR performance. Although the edge of MoS2 catalyst is active, the MoS2(0 0 1) surface is inert for N2 electroreduction. Through the hydrothermal and electrodeposition methods, Fe(OH)3 as N2 and H+ channels coated on MoS2 nanosheets array (MoS2@Fe(OH)3/CC) is synthesized. Such catalyst exhibits excellent eNRR performance in 0.1 M Na2SO4 with high Faradaic efficiency (2.76%) and NH3 yield rate (4.23 × 10−10 mol s−1 cm−2) at − 0.45 V (vs. RHE). This work may provide a new electrocatalyst synthesis pathway for artificial N2 fixation. Density functional theory calculations show that electrodeposition Fe(OH)3 can accelerate eNRR process rate of MoS2.