First Principles Study of the Li10GeP2S12 Lithium Super Ionic Conductor Material

By Yifei Mo, Shyue Ping Ong, Gerbrand Ceder. 2012

705 citations recorded by the source corpus.

Using ab initio MD simulations and energy calculations, we investigate the diffusivity, stability, and electrochemical window of the recently discovered superionic conductor Li10GeP2S12. We provide an explanation for the observed wide electrochemical stability of Li10GeP2S12 and demonstrate that Li10GeP2S12 is a 3D, rather than 1D. ion conductor.

Subfields: Electrical and Electronic Engineering, Inorganic Chemistry

View Paper: https://www.semanticscholar.org/paper/837633c7ea7573a987107c98f36a3ae623a6a6ed

How researchers see this paper

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In Electrical and Electronic Engineering

1. Qiang Bai
2. Yifei Mo
3. Adelaide M. Nolan
4. Gerbrand Ceder
5. Xingfeng He
6. Yizhou Zhu
7. D. Seo
8. A. Urban

In Inorganic Chemistry

1. Yizhou Zhu
2. Xingfeng He
3. A. Urban
4. D. Seo
5. Yifei Mo
6. Gerbrand Ceder
7. Qiang Bai

Citations in the corpus

• Computational understanding of Li-ion batteries (2016, methodology): “(see previous section).(12,110) Finally, a recent review of lattice-based simulations of lithium diffusion in intercalation materials can be found in ref.”