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Updated: Sep 25, 2025

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Biaxially Strained MoS2 Nanoshells with Controllable Layers Boost Alkaline Hydrogen Evolution.

Tao Zhang1,2, Yipu Liu3, Jie Yu1

  • 1Key Laboratory of Materials Physics, Institute of Solid State Physics, HFIPS, Chinese Academy of Sciences, Hefei, 230031, China.

Advanced Materials (Deerfield Beach, Fla.)
|April 27, 2022
PubMed
Summary

Biaxially strained molybdenum disulfide (MoS2) nanoshells, with controlled layer numbers, significantly boost catalytic performance for hydrogen evolution reactions. This strain engineering optimizes electronic configurations and creates superior catalytic sites.

Keywords:
alkaline hydrogen evolutionbiaxial straincontrolled layer numberin situ self-vulcanizationsulfur vacancies

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Area of Science:

  • Materials Science
  • Catalysis
  • Nanotechnology

Background:

  • Layered transition-metal dichalcogenides (TMDs) show enhanced catalytic activity when strained, particularly on their basal plane.
  • The effects of biaxial strain and layer number on TMD electronic configurations for catalysis are not well understood.

Purpose of the Study:

  • To investigate the impact of biaxial strain and layer number on the catalytic performance of molybdenum disulfide (MoS2).
  • To explore the local electronic configuration changes induced by biaxial strain in MoS2 nanoshells.
  • To realize single-crystalline Ni3S2@MoS2 core-shell heterostructures with tunable MoS2 layers.

Main Methods:

  • Fabrication of single-crystalline Ni3S2@MoS2 core-shell heterostructures using an in situ self-vulcanization strategy.
  • Precise control of MoS2 layer numbers from 1 to 5 layers.
  • Electrochemical testing for hydrogen evolution reaction (HER) activity and durability.
  • Density functional theory (DFT) calculations to analyze strain effects and catalytic sites.

Main Results:

  • Biaxially strained MoS2 nanoshells with controlled layer numbers were successfully synthesized.
  • An electrode with bilayer MoS2 nanoshells exhibited excellent HER activity (78.1 mV overpotential at 10 mA cm-2) and durability.
  • DFT calculations confirmed that biaxial strain and induced sulfur vacancies optimize electronic structure and create superior catalytic sites.

Conclusions:

  • Biaxial strain and atomic-scale layer number are critical factors in enhancing the electrocatalytic potential of 2D TMDs.
  • The developed Ni3S2@MoS2 core-shell structure with biaxially strained MoS2 is a promising electrocatalyst for the hydrogen evolution reaction.