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Article Dans Une Revue Journal of Physical Chemistry C Année : 2018

Capacitive Performance of Water-in-Salt Electrolyte in Supercapacitors: A Simulation Study

Résumé

Water-in-salts is a new family of electrolytes with very promising electrochemical properties for energy storage applications. Despite several studies involving them inside Li-ion batteries and supercapacitors, their interfacial properties remain largely unknown. Here we simulate the interface between electrified graphite electrodes and a highly concentrated water-in-salt (where the salt is Bis(trifluoromethane)sulfonimide lithium, LiTFSI) using constant applied potential molecular dynamics. We show that the capacitance differs markedly between the positive and the negative electrodes, which is due to the large asymmetry in size (and shape) between the ions. By using importance sampling, we further investigate the changes in

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Chimie
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Dates et versions

hal-02347041 , version 1 (05-11-2019)

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Zhujie Li, Guillaume Jeanmairet, Trinidad Méndez-Morales, Benjamin Rotenberg, Mathieu Salanne. Capacitive Performance of Water-in-Salt Electrolyte in Supercapacitors: A Simulation Study. Journal of Physical Chemistry C, 2018, 122 (42), pp.23917-23924. ⟨10.1021/acs.jpcc.8b07557⟩. ⟨hal-02347041⟩
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