Sodium-Ion Battery Electrolytes: Modeling and Simulations
Review article, 2018

The authors review the efforts made from a modeling and simulation perspective in order to assist both the fundamental understanding as well as the development of higher performance sodium-ion battery (SIB) electrolytes. Depending on the type of the electrolyte studied, liquid, ionic liquid, polymer, glass, solid-state, etc., the simulation methods applied and the research questions in focus differ, but all contribute to more rational progress. Furthermore, the authors create cases of meta-analysis using literature data. A historical perspective is applied and the focus clearly is on more recent work and novel electrolyte materials. Finally, the authors outline a few prospective areas for where SIB electrolyte simulations can/should be extended for maximum impact in the field.


ab initio

sodium-ion batteries


molecular dynamics



Gustav Åvall

Chalmers, Physics, Condensed Matter Physics

J. Mindemark

Uppsala University

D. Brandell

Uppsala University

Patrik Johansson

Chalmers, Physics, Condensed Matter Physics

Advanced Energy Materials

1614-6832 (ISSN) 1614-6840 (eISSN)

Vol. 8 17 1703036

Next generation batteries for hybrid and electric vehicles

Swedish Energy Agency, 2013-12-01 -- 2017-12-31.

Na-Ion bAttery Demonstration for Electric Storage (NAIADES)

European Commission (Horizon 2020), 2015-01-01 -- 2018-12-31.

Driving Forces

Sustainable development

Areas of Advance



Materials Science

Subject Categories

Other Engineering and Technologies not elsewhere specified

Materials Chemistry

Reliability and Maintenance


C3SE (Chalmers Centre for Computational Science and Engineering)



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1/6/2019 8