2D or not 2D: Structural and charge ordering at the solid-liquid interface of the 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate ionic liquid

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Abstract

Molecular dynamics simulations of a 5 nm-thick layer of the ionic liquid 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate, [(OH)C(2)C(1)im][BF4], over silica, alumina and boro-silicate glass substrates have been performed. The structure of the ionic liquid at the solid-liquid interface has been interpreted taking into account the corresponding normal density profiles, lateral interfacial structure, orientational ordering and planar density contours. Comparisons with experimental data suggest that the adsorption and stratification process of ionic liquids over solid substrates can be correctly modeled using a realistic rendition of a non-uniform amorphous substrate such as a glass material.
Original languageUnknown
Pages (from-to)155-169
JournalFaraday Discussions
Volume154
Issue numberNA
DOIs
Publication statusPublished - 1 Jan 2012

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