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Highly efficient evaluation of diffusion networks in Li ionic conductors using a 3D-corrugation descriptor
A highly efficient computational approach for the screening of Li ion conducting materials is presented and its performance is demonstrated for olivine-type oxides and thiophosphates. The approach is based on a topological analysis of the electrostatic (Coulomb) potential obtained from a single dens...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6805878/ https://www.ncbi.nlm.nih.gov/pubmed/31641167 http://dx.doi.org/10.1038/s41598-019-51585-z |