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Mo-doping heterojunction: interfacial engineering in an efficient electrocatalyst for superior simulated seawater

Zuo-Ming He1,2, Chun-Xiao Zhang3, Si-Qi Guo4

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This study developed a novel electrocatalyst, Mo-doped Ni0.85Se/MoSe2, for efficient seawater hydrogen production. The catalyst demonstrates excellent activity and stability, overcoming challenges posed by chloride ions in seawater.

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Catalysis

Background:

  • Developing economical and stable electrocatalysts for seawater hydrogen evolution reaction (HER) is crucial.
  • Existing catalysts often face challenges with efficiency and durability in alkaline seawater.

Purpose of the Study:

  • To synthesize and characterize a novel Mo-doped Ni0.85Se/MoSe2 heterostructural electrocatalyst.
  • To evaluate its performance for the hydrogen evolution reaction in alkaline simulated seawater.
  • To elucidate the underlying mechanisms for enhanced catalytic activity and stability.

Main Methods:

  • Synthesis of Mo-doped Ni0.85Se/MoSe2 heterostructure.
  • Electrochemical characterization including overpotential measurements and long-term stability tests.
  • Density functional theory (DFT) calculations to understand reaction mechanisms.

Main Results:

  • The Mo-Ni0.85Se/MoSe2 catalyst achieved a low overpotential of 110 mV for 10 mA cm-2 in alkaline simulated seawater.
  • The catalyst exhibited remarkable stability, with no significant degradation after 80 hours at 20 mA cm-2.
  • DFT calculations confirmed that the heterostructure generates an interfacial electric field, facilitating electron transfer and reducing water dissociation barriers.
  • Mo-doping weakened chloride ion interactions, preventing catalyst poisoning and corrosion.

Conclusions:

  • The Mo-Ni0.85Se/MoSe2 heterostructure is a highly active and durable electrocatalyst for seawater HER.
  • The synergistic effects of the heterostructure and Mo-doping enhance catalytic performance and chloride tolerance.
  • This work provides a promising strategy for developing advanced electrocatalysts for sustainable hydrogen production from seawater.