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Nitrogen (N) doping in amorphous molybdenum disulfide (a-MoSx) significantly enhances its performance in the electrochemical hydrogen evolution reaction (HER). This doping strategy improves active sites and conductivity, leading to superior catalytic activity.

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Catalysis

Background:

  • Crystalline MoS2 (c-MoS2) doping with nitrogen (N) for hydrogen evolution reaction (HER) is known.
  • Amorphous MoSx (a-MoSx) is a more active HER catalyst, but N-doping effects are unexplored.

Purpose of the Study:

  • To fabricate N-doped a-MoSx for the first time.
  • To investigate the role of N dopants in a-MoSx for HER performance.

Main Methods:

  • Simple fabrication method for N-doped a-MoSx.
  • X-ray photoelectron spectroscopy (XPS) for material characterization.
  • First-principles calculations for theoretical analysis.

Main Results:

  • N doping in basal plane S2- sites is crucial for HER enhancement and stability.
  • N-doped a-MoSx shows increased active sites and improved conductivity.
  • Calculations confirm improved hydrogen adsorption free energy at unsaturated MoV sites.

Conclusions:

  • N-doped a-MoSx is a highly effective HER catalyst.
  • N doping in basal plane S2- sites is key to improved HER activity.
  • This work offers insights for developing nonmetal-doped MoSx catalysts for HER.