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Coupled Vacancy-anion Tuning Activates Fast Li-ion Transport in Mixed-anion Lithium Nitrides toward Li8ChN2 (Ch = Se, Te) and Beyond
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DOI：10.1016/j.mtphys.2026.102118.png)
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Abstract
En 中文
• Li8ChN2 are predicted as a promising solid electrolyte family for lithium metal batteries. • Li+ transport switches from cage hopping to 3D percolation • Defect-driven lattice softening flattens migration energetics • MTP-MD resolves stable Li metal||nitride interface and fast cross-plane Li+ transport • Structure-transport correlation transfers across mixed-anion nitride families
Keywords:
Li8ChN2
solid electrolyte
Li+ transport
defect-driven lattice softening
mixed-anion nitrides
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9.7
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2.0K
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1.2W
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