Structural requirements for fast lithium ion migration in Li10GeP2S12
作者： Stefan Adams , R. Prasada Rao
DOI: 10.1039/C2JM16688G
关键词:
摘要: Dynamic lithium distribution, structural stability and ion transport mechanism in the new ultrafast conductor Li10GeP2S12 are clarified with help of atomistic molecular dynamics simulations, revealing only a weak anisotropy Li+ diffusion, coupling cation diffusion to PS43− anion rotational mobility. The role previously overlooked Li site limited at elevated temperatures discussed for first time.
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