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Issue 17, 2012
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Novel pseudo-delocalized anions for lithium battery electrolytes

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Abstract

A novel anion concept of pseudo-delocalized anions, anions with distinct positive and negative charge regions, has been studied by a computer aided synthesis using DFT calculations. With the aim to find safer and better performing lithium salts for lithium battery electrolytes two factors have been evaluated: the cation–anion interaction strength via the dissociation reaction LiAn ⇌ Li+ + An and the anion oxidative stability via a vertical ionisation from anion to radical. Based on our computational results some of these anions have shown promise to perform well as lithium salts for modern lithium batteries and should be interesting synthetic targets for future research.

Graphical abstract: Novel pseudo-delocalized anions for lithium battery electrolytes

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Publication details

The article was received on 02 Dec 2011, accepted on 01 Mar 2012 and first published on 22 Mar 2012


Article type: Paper
DOI: 10.1039/C2CP23836E
Citation: Phys. Chem. Chem. Phys., 2012,14, 6021-6025
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    Novel pseudo-delocalized anions for lithium battery electrolytes

    E. Jónsson, M. Armand and P. Johansson, Phys. Chem. Chem. Phys., 2012, 14, 6021
    DOI: 10.1039/C2CP23836E

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