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...

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Bibliographic Details
Published in:Front Chem
Main Authors: Nilsson-Hallén, Jonathan, Ahlström, Bodil, Marczewski, Maciej, Johansson, Patrik
Format: Artigo
Language:Inglês
Published: Frontiers Media S.A. 2019
Subjects:
Chemistry
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC6423347/
https://ncbi.nlm.nih.gov/pubmed/30931299
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2019.00126
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