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RESEARCH PAPER · Journal of Materials Chemistry C · 2024

Assessing the design rules of electrides

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Assessing the design rules of electridesOriginalComputational design of electride superconductors at high pressures21Neutral electride formed by d-orbital interactions in LiNbS20Rational regulation strategies of interstitial localized electrons in electride: A density functional theory study3

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  1. Computational design of electride superconductors at high pressures

    Computational Materials Today · 2024-10-24

    Xiaohua Zhang, Tingwei An, Guochun Yang

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  2. Neutral electride formed by d-orbital interactions in LiNbS2

    Computational Materials Science · 2025-06-03

    Gui Wang, Jingwen Jiang, Xiumei Xu, Yang Huang

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  3. Rational regulation strategies of interstitial localized electrons in electride: A density functional theory study

    Computational Materials Science · 2025-07-15

    Leilei Zhang, Dan Wang, Hao Wang, Jinlong Li, Y.F. Wang, Qin Wu, Hua-Yun Geng

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