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Sodium-Ion Battery Electrolytes: Modeling and Simulations
Chalmers Univ Technol, Dept Phys, SE-41296 Gothenburg, Sweden.
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Polymer Chemistry. Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Structural Chemistry.ORCID iD: 0000-0002-9862-7375
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Structural Chemistry.ORCID iD: 0000-0002-8019-2801
Chalmers Univ Technol, Dept Phys, SE-41296 Gothenburg, Sweden.
2018 (English)In: ADVANCED ENERGY MATERIALS, ISSN 1614-6832, Vol. 8, no 17, article id 1703036Article, review/survey (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
2018. Vol. 8, no 17, article id 1703036
Keywords [en]
ab initio, computations, DFT, electrolytes, molecular dynamics, sodium-ion batteries
National Category
Materials Chemistry Energy Engineering
Identifiers
URN: urn:nbn:se:uu:diva-365121DOI: 10.1002/aenm.201703036ISI: 000435258700010OAI: oai:DiVA.org:uu-365121DiVA, id: diva2:1262646
Funder
Swedish Energy Agency, 37671-1EU, Horizon 2020, LCE10-2014EU, Horizon 2020, 646433Available from: 2018-11-12 Created: 2018-11-12 Last updated: 2018-11-12Bibliographically approved

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Mindemark, JonasBrandell, Daniel

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