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High-Throughput Screening of Solid-State Li-Ion Conductors Using Lattice-Dynamics Descriptors
Low lithium-ion migration barriers have recently been associated with low average vibrational frequencies or phonon band centers, further helping identify descriptors for superionic conduction. To further explore this correlation, here we present the computational screening of ∼14,000 Li-containing...
| Autores principales: | , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6581664/ https://www.ncbi.nlm.nih.gov/pubmed/31203184 http://dx.doi.org/10.1016/j.isci.2019.05.036 |