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Solvation structure...
Solvation structure in dilute to highly concentrated electrolytes for lithium-ion and sodium-ion batteries
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- Flores, Eibar, 1990 (author)
- Chalmers tekniska högskola,Chalmers University of Technology
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- Åvall, Gustav, 1988 (author)
- Chalmers tekniska högskola,Chalmers University of Technology
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- Jeschke, Steffen, 1986 (author)
- Chalmers tekniska högskola,Chalmers University of Technology
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- Johansson, Patrik, 1969 (author)
- Chalmers tekniska högskola,Chalmers University of Technology
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(creator_code:org_t)
- Elsevier BV, 2017
- 2017
- English.
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In: Electrochimica Acta. - : Elsevier BV. - 0013-4686. ; 233, s. 134-141
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Abstract
Subject headings
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- The solvation structure of several lithium and sodium based electrolytes are explored as a function of salt concentration over a wide range via a detailed PM7 computational study. The cation coordination shells are found to be well-defined and solvent rich for dilute electrolytes, while disordered and anion rich for the more concentrated electrolytes. The Na-based electrolytes display larger cation coordination shells with a more pronounced presence of fluorine as compared to the Li-based electrolytes. The origins of the structural differences are discussed as well as their consequences for properties of battery electrolytes and battery usage-especially targeting the current large interest in highly concentrated electrolytes.
Subject headings
- TEKNIK OCH TEKNOLOGIER -- Maskinteknik -- Energiteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Mechanical Engineering -- Energy Engineering (hsv//eng)
- NATURVETENSKAP -- Fysik -- Annan fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Other Physics Topics (hsv//eng)
- TEKNIK OCH TEKNOLOGIER -- Elektroteknik och elektronik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Electrical Engineering, Electronic Engineering, Information Engineering (hsv//eng)
Keyword
- Solvation structure
- Lithium ion batteries
- Sodium ion batteries
- Highly concentrated electrolytes
Publication and Content Type
- art (subject category)
- ref (subject category)
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