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High-throughput design and optimization of fast lithium ion conductors by the combination of bond-valence method and density functional theory

Looking for solid state electrolytes with fast lithium ion conduction is an important prerequisite for developing all-solid-state lithium secondary batteries. By combining the simulation techniques in different levels of accuracy, e.g. the bond-valence (BV) method and the density functional theory (...

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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: Xiao, Ruijuan, Li, Hong, Chen, Liquan
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group 2015
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4585693/
https://ncbi.nlm.nih.gov/pubmed/26387639
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep14227
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