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Hydrogen Evolution Catalyzed by a Molybdenum Sulfide Two-Dimensional Structure with Active Basal Planes.

Tong Yang1,2, Yang Bao3,4, Wen Xiao5

  • 1Department of Physics , National University of Singapore , 2 Science Drive 3 , Singapore 117542 , Singapore.

ACS Applied Materials & Interfaces
|June 12, 2018
PubMed
Summary

Substoichiometric molybdenum sulfide exhibits enhanced hydrogen evolution reaction (HER) catalysis. Its basal plane is active, showing strain-tunable performance insensitive to hydrogen coverage, unlike traditional molybdenum disulfide catalysts.

Keywords:
electrocatalysthydrogen evolution reactionstructure engineeringsubstoichiometric molybdenum sulfidetwo-dimensional materials

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Area of Science:

  • Materials Science
  • Catalysis
  • Electrochemistry

Background:

  • Molybdenum disulfide (MoS2) is a promising catalyst for the hydrogen evolution reaction (HER).
  • Current MoS2 catalysts face limitations due to sparse active edge sites and sensitivity to hydrogen coverage.

Purpose of the Study:

  • To investigate the enhanced HER performance of two-dimensional substoichiometric molybdenum sulfide.
  • To explore the catalytic activity of the basal plane and the effect of strain on HER performance.

Main Methods:

  • First-principles calculations were employed to study the electronic and catalytic properties.
  • Experimental validation was conducted to confirm theoretical predictions.
  • Gibbs free energy calculations and overpotential measurements were performed.

Main Results:

  • The basal plane of substoichiometric molybdenum sulfide demonstrates significant catalytic activity for HER.
  • An optimal Gibbs free energy and low reaction overpotential were observed.
  • HER performance was found to be insensitive to hydrogen coverage and improvable under compressive strain.

Conclusions:

  • Substoichiometric molybdenum sulfide offers improved HER performance due to its chemically reactive basal plane.
  • Compressive in-plane biaxial strain can be used to tune and enhance catalytic activity.
  • This work presents a novel approach to designing efficient and tunable HER catalysts.