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RESEARCH PAPER · Frontiers in Chemistry · 2022

Computation-accelerated discovery of the K2NiF4-type oxyhydrides combing density functional theory and machine learning approach

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Computation-accelerated discovery of the K2NiF4-type oxyhydrides combing density functional theory and machine learning approachOriginalHydride ionic conductors: Bridging ionic transport mechanisms and design strategies for sustainable energy systems1

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  1. Hydride ionic conductors: Bridging ionic transport mechanisms and design strategies for sustainable energy systems

    Sustainable materials and technologies · 2025-12-16

    Kaixiang Ren, Jianhui Li, Haiwen Li, Yongtao Li

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