articleACS NanoJan 20, 2026Closed access

Spin Modulation of Antiperovskite Nitride for Industrial-Current-Density Seawater Electrolysis

WZWeigao ZhongZLZhishan LiQSQiming SunLLLinfeng LiXYX. Y. Zhang

Kunming University of Science and Technology · National Laboratory of Energy and Geology · +7 more institutions

PubMed
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Abstract

Exploring electrocatalysts that possess both high activity and long-term durability is essential for the practical implementation of seawater electrolysis; however, achieving this goal remains a major bottleneck. Herein, a spin engineering strategy is proposed for antiperovskite nitride (CuNNi3–xMox) to boost its inherent catalytic activity. The partial substitution of Ni sites with Mo atoms induces a transition from low-spin state Ni2+ (eg2 t2g6) to high-spin state Ni3+(eg2 t2g5). The Mo-substituted catalyst exhibits superior electrocatalytic performance, yielding low overpotentials of 212 mV for the hydrogen evolution reaction (HER) and 453 mV for the oxygen evolution reaction (OER) at a current density of…

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Topics & keywords

Keywords
  • Antiperovskite
  • Overpotential
  • Oxygen evolution
  • Density functional theory
  • Electrolysis
  • Catalysis
  • Electrolysis of water
  • Population
UN Sustainable Development Goals
  • Life below water
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