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Issue 23, 2011
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A classical density functional theory for interfacial layering of ionic liquids

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Abstract

Ionic liquids have attracted much recent theoretical interest for broad applications as environmentally-friendly solvents in separation and electrochemical processes. Because of the intrinsic complexity of organic ions and strong electrostatic correlations, the electrochemical properties of ionic liquids often defy the descriptions of conventional mean-field methods including the venerable, and over-used, Gouy–Chapman–Stern (GCS) theory. Classical density functional theory (DFT) has proven to be useful in previous studies of the electrostatic properties of aqueous electrolytes but until recently it has not been applied to ionic liquids. Here we report predictions from the DFT on the interfacial properties of ionic liquids near neutral or charged surfaces. By considering the molecular size, topology, and electrostatic correlations, we have examined major factors responsible for the unique features of electric-double layers of ionic-liquid including formation of long-range and alternating structures of cations and anions at charged surfaces.

Graphical abstract: A classical density functional theory for interfacial layering of ionic liquids

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Publication details

The article was received on 11 Jun 2011, accepted on 30 Aug 2011 and first published on 14 Oct 2011


Article type: Paper
DOI: 10.1039/C1SM06089A
Citation: Soft Matter, 2011,7, 11222-11231
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    A classical density functional theory for interfacial layering of ionic liquids

    J. Wu, T. Jiang, D. Jiang, Z. Jin and D. Henderson, Soft Matter, 2011, 7, 11222
    DOI: 10.1039/C1SM06089A

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