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Ionic Liquids: A Simple Model to Predict Ion Conductivity Based on DFT Derived Physical Parameters
A model able to a priori predict ion conductivities of ionic liquids (ILs) is a desired design tool. We here propose a set of simple conductivity models for ILs composed of small ions by only using data easily derived from standard DFT calculations as input; ion volume, ion mass, ion moment of inert...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6423347/ https://www.ncbi.nlm.nih.gov/pubmed/30931299 http://dx.doi.org/10.3389/fchem.2019.00126 |