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May 1, 20264 citations

Local Electronic Environment Regulation of Crystalline/Amorphous NiSe/NiFe(OH)x Heterostructure Enhancing Catalytic Activity of Alkaline Oxygen Evolution Reaction.

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ZLZongtian LiYJY G JinZJZhengtong Ji

Key Points

  • This research aims to enhance the catalytic activity of oxygen evolution reactions through the optimization of crystalline/amorphous heterostructure catalysts.
  • Utilized density functional theory (DFT) calculations to understand interfacial electronic modulation.
  • Examined the role of adsorption energy optimization of key intermediates in enhancing OER kinetics.
  • Achieved 93.7% retention of initial catalytic activity in the NiSe/NiFe(OH)x heterostructure.
  • DFT calculations indicated optimized adsorption energy for key intermediate, accelerating OER kinetics.

Abstract

, it retains 93.7% of its initial activity. Density functional theory (DFT) calculations suggest that interfacial electronic modulation optimizes the adsorption energy of the key intermediate *O, thereby accelerating the OER kinetics. This work provides a new design strategy for constructing crystalline-amorphous heterostructure catalysts with both excellent catalytic activity and stability.

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Cite This Study

Li et al. (2026) studied this question.

synapsesocial.com/papers/69f443cb967e944ac5566f10https://doi.org/10.1002/smll.202514445
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