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Data mining of molecular dynamics data reveals Li diffusion characteristics in garnet Li(7)La(3)Zr(2)O(12)
Understanding Li diffusion in solid conductors is essential for the next generation Li batteries. Here we show that density-based clustering of the trajectories computed using molecular dynamics simulations helps elucidate the Li diffusion mechanism within the Li(7)La(3)Zr(2)O(12) (LLZO) crystal lat...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5240091/ https://www.ncbi.nlm.nih.gov/pubmed/28094317 http://dx.doi.org/10.1038/srep40769 |