CPL - Chalmers Publication Library
| Utbildning | Forskning | Styrkeområden | Om Chalmers | In English In English Ej inloggad.

Solvation structure in dilute to highly concentrated electrolytes for lithium-ion and sodium-ion batteries

Eibar Flores (Institutionen för fysik (Chalmers)) ; Gustav Avall (Institutionen för fysik (Chalmers)) ; Steffen Jeschke (Institutionen för fysik, Kondenserade materiens fysik (Chalmers)) ; Patrik Johansson (Institutionen för fysik, Kondenserade materiens fysik (Chalmers))
Electrochimica Acta (0013-4686). Vol. 233 (2017), p. 134-141.
[Artikel, refereegranskad vetenskaplig]

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.

Nyckelord: Highly concentrated electrolytes, Solvation structure, Lithium ion batteries, Sodium ion batteries, SUPERCONCENTRATED ELECTROLYTES, PROPYLENE CARBONATE, ENERGY-STORAGE, TRANSPORT-PROPERTIES, SALT ELECTROLYTE, ACETONITRILE, MECHANISM, LIQUIDS, LI+, OPTIMIZATION



Denna post skapades 2017-05-05.
CPL Pubid: 249138

 

Läs direkt!


Länk till annan sajt (kan kräva inloggning)