Sulfur vacancy-rich N-doped MoS2 nanoflowers for highly boosting electrocatalytic N2 fixation to NH3 under ambient conditions

Abstract

In this communication, optimized sulfur vacancy-rich nitrogen-doped MoS₂ nanoflowers were developed, which served as excellent N₂ reduction reaction (NRR) electrocatalysts for the conversion of N₂ to NH₃ under ambient conditions. Electrochemical results demonstrated that the as-prepared N-doped MoS₂ electrode afforded a superior NH₃ yield and high faradaic efficiency, which exceeded those of the recently reported MoS₂ catalysts. The possible NRR catalytic mechanism and electron transfer pathway were further elucidated via density functional theory calculations.