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Predicting the Solu...
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Jeschke, Steffen,1986Chalmers tekniska högskola,Chalmers University of Technology
(författare)
Predicting the Solubility of Sulfur: A COSMO-RS-Based Approach to Investigate Electrolytes for Li-S Batteries
- Artikel/kapitelEngelska2017
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2017-06-19
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Wiley,2017
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electronicrdacarrier
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LIBRIS-ID:oai:research.chalmers.se:0e51b4d6-cf0c-4a6f-978b-7b9295fa4755
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https://research.chalmers.se/publication/251082URI
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https://doi.org/10.1002/chem.201701011DOI
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Språk:engelska
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Sammanfattning på:engelska
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Ämneskategori:art swepub-publicationtype
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Ämneskategori:ref swepub-contenttype
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Lithium-sulfur (Li-S) batteries are, in theory, considering their basic reactions, very promising from a specific energy density point of view, but have poor power rate capabilities. The dissolution of sulfur from the C/S cathode in the electrolyte is a rate-determining and crucial step for the functionality. To date, time-consuming experimental methods, such as HPLC/UV, have been used to quantify the corresponding solubilities. Here, we use a computational fluid-phase thermodynamics approach, the conductor-like screening model for real solvents (COSMO-RS), to compute the solubilities of sulfur in different binary and ternary electrolytes. By using both explicit and implicit solvation approaches for lithium bistrifluoromethanesulfonimidate (LiTFSI)-containing electrolytes, a deviation of
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Johansson, Patrik,1969Chalmers tekniska högskola,Chalmers University of Technology(Swepub:cth)jpatrik
(författare)
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Chalmers tekniska högskola
(creator_code:org_t)
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Ingår i:Chemistry - A European Journal: Wiley23:38, s. 9130-91361521-37650947-6539
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