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March 17, 2026ACS Applied Materials & Interfaces0 citations

Complementary 3d-4 d /5d Pairing in Medium-Entropy Sulfides for Bifunctional Water Electrolysis

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FZFei ZhuZSZeyu SunPHPing Hu

Key Points

  • The aim is to explore the functional complementarity of 3d, 4d, and 5d metals in electrocatalysts for water electrolysis.
  • Synthesis of a nanoporous medium-entropy multimetal sulfide (CoNiMoW)S2
  • Utilization of operando Raman spectroscopy for analysis
  • Application of density functional theory to understand electronic interactions
  • Achieved 36 mV for the hydrogen evolution reaction and 120 mV for the oxygen evolution reaction at 10 mA cm–2
  • Demonstrated operational stability exceeding 900 hours
  • Confirmed cooperative catalytic system enhancing performance through 3d-4d/5d pairing

Abstract

The incorporation of multiple elements has become a prevalent strategy for developing advanced electrocatalysts. However, current approaches often prioritize enhancing configurational entropy or empirically adding elements without a rational framework for achieving genuine functional complementarity. Herein, we propose the concept of complementary 3d-4d/5d element pairing, demonstrated through the synthesis of a nanoporous medium-entropy multimetal sulfide, (CoNiMoW)S2. This design establishes a cooperative architecture in which 3d metals (Co, Ni) serve as dynamic sites for the in situ generation of catalytically active (oxy)hydroxides, while 4d/5d metals (Mo, W) play distinct roles: Mo acts as an electronic modulator that optimizes adsorption energetics, and W functions as a structural stabilizer that enhances durability. The resulting catalyst exhibits exceptional bifunctional performance, requiring only 36 mV for the hydrogen evolution reaction and 120 mV for the oxygen evolution reaction at 10 mA cm–2, along with outstanding operational stability exceeding 900 h. Operando Raman spectroscopy and density functional theory analyses confirm that the complementary 3d-4d/5d pairing creates a cooperative catalytic system, where 3d metals drive the surface reconstruction into active phases while 4d/5d metals concurrently modulate the electronic structure and enhance durability.

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Cite This Study

Zhu et al. (2026) studied this question.

synapsesocial.com/papers/69b8f11edeb47d591b8c5f2chttps://doi.org/10.1021/acsami.6c01043
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