Unveiling the competitive behavior by the orientated regulation of S-vacancy over MoS2 for highly effective N2 fixation

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

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  • Hao Fei
  • Ruoqi Liu
  • Ting Guo
  • Fangyang Liu
  • Zhuangzhi Wu
  • Dezhi Wang

Related Research Unit(s)


Original languageEnglish
Article number146895
Journal / PublicationChemical Engineering Journal
Online published25 Oct 2023
Publication statusPublished - 15 Nov 2023


The electrochemical N2 reduction reaction (NRR) renders great potential for sustainable ammonia generation but still suffers from serious challenges, which limit the effective enhancement of catalytic performances. Herein, we skillfully utilize the asynchronous NRR and hydrogen evolution reaction (HER) activities as a function of S-vacancy (Vs) concentrations to enhance the NRR activity but sacrifice the HER activity, thus achieving the tradeoff between activity and selectivity towards the NRR. Inspired by the theoretical guidance, the optimized catalyst (FL-MoS2-20) with a suitable Vs concentration (16.30 %) renders a high NH3 yield rate of 92.95 ± 2.10 µg h1 mg1 and a Faradic efficiency (FE) of 20.80 ± 0.18 %, exceeding virtually all previously published MoS2-based NRR catalysts and the overwhelming majority of state-of-the-art NRR catalysts. This work broadens the potential of vacancy engineering to manage the competitive reaction on a single active site and enlightens the catalyst design in the NRR field and beyond. © 2023 Elsevier B.V.

Research Area(s)

  • Competitive behavior, Hydrogen evolution reaction, Molybdenum disulfide, Nitrogen reduction reaction, Sulphur vacancy