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Multidimensional Manipulation of MoSe2 Enabled by Vanadium Doping for Efficient Nitrogen Reduction.

Shuaiting Lv1,2, Jiayi Wang1, Bilong Liu1

  • 1School of Materials Science and Engineering, Central South University, Changsha 410083, China.

ACS Applied Materials & Interfaces
|April 12, 2026
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Summary

Vanadium doping enhances molybdenum diselenide (MoSe2) for electrochemical nitrogen reduction reaction (NRR), offering a sustainable alternative to Haber-Bosch. Optimized catalysts show superior ammonia yield and efficiency.

Keywords:
ElectrocatalysisHeteroatom dopingHydrogen evolution reactionMolybdenum diselenideNitrogen reduction reaction

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Catalysis

Background:

  • The Haber-Bosch process for ammonia synthesis is energy-intensive.
  • Electrochemical nitrogen reduction reaction (NRR) is a promising alternative but faces catalyst challenges.
  • Developing efficient, noble-metal-free catalysts is crucial for sustainable ammonia production.

Purpose of the Study:

  • To investigate vanadium (V) doping as a strategy to enhance the NRR performance of molybdenum diselenide (MoSe2).
  • To understand the mechanism by which V doping optimizes MoSe2 for NRR.
  • To develop a high-performance, noble-metal-free electrocatalyst for sustainable ammonia synthesis.

Main Methods:

  • Synthesis of V-doped MoSe2 catalysts using a one-step hydrothermal method.
  • Comprehensive characterization of catalyst structure and electronic properties.
  • Electrochemical evaluation of NRR performance, including ammonia yield rate and Faradaic efficiency.
  • Theoretical and experimental analysis of doping-induced mechanisms.

Main Results:

  • Moderate V doping multidimensionally modifies the electronic and architectural structure of MoSe2.
  • The optimized catalyst (MSV-2, 4.92 atom % V) achieved an ammonia yield rate of 28.37 μg h⁻¹ mg⁻¹ at -0.7 V with high Faradaic efficiency.
  • V incorporation boosted N2 activation, facilitated charge transfer, and suppressed the hydrogen evolution reaction.
  • Performance significantly exceeded that of pristine MoSe2.

Conclusions:

  • Vanadium doping is an effective strategy for enhancing MoSe2-based NRR electrocatalysts.
  • Optimized V doping balances structural and electronic modifications for superior performance.
  • This work provides fundamental insights into doping mechanisms for catalyst design and offers a viable approach for sustainable ammonia synthesis.