Molecular dynamics study of the diffusion behaviour of Li in Li10GeP2S12

S. Kawano, S. Iikubo

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1 Citation (Scopus)


In this study, we investigated the anisotropic Li diffusion in Li10GeP2S12 using a molecular dynamics method. Although the calculated ion conductivity is slightly lower in comparison to the calculated and experimental ion conductivity of previous studies, our results support anisotropic Li diffusion. These findings show that the anisotropic Li diffusion estimated from the activation energy is an important property of Li10 GeP2 S12, and a potential factor for good ion conductivity. Further, a high diffusion coefficient was observed in Li10P3S12, which is a good Li-ion conductor.

Original languageEnglish
Pages (from-to)247-254
Number of pages8
JournalPertanika Journal of Science and Technology
Issue number1
Publication statusPublished - Jan 1 2017
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • General Computer Science
  • General Chemical Engineering
  • General Environmental Science
  • General Agricultural and Biological Sciences


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