1 T-phase molybdenum sulfide nanodots enable efficient electrocatalytic nitrogen fixation under ambient conditions

Herein, 1T-phase MoS2 nanodots (NDs) anchored to g-C3N4 (1T-MoS2/g-C3N4) are firstly developed to operate as a highly efficient catalyst for electrochemical N2 fixation with superior selectivity. 1T-MoS2/g-C3N4 composite presents outstanding NRR performance with a FE of 20.48 % and a NH3 yield rate of 29.97 μg h−1 mg−1cat. at -0.3 V vs. RHE. Furthermore, 1T-MoS2/g-C3N4 composite also shows outstanding electrochemical stability and durability. 15N isotopic labeling experiment confirms that nitrogen in produced ammonia originates from N2 in electrolyte rather than the decomposition of g-C3N4. DFT calculations reveal the optimal reaction path of NRR with both associative distal and alternating pathways. This work may offer a hopeful lead for designing effective non-noble-metal NRR electrocatalysts.