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• W2131750609 endingPage "1780" @default.
• W2131750609 startingPage "1772" @default.
• W2131750609 abstract "Abstract The structure of a thin (4 nm) [bmim][Tf 2 N] film on mica was studied by molecular dynamics simulations using an empirical force field. Interfacial layering at T =300 K and at T =350 K is investigated by determining the number‐ and charge‐density profiles of [bmim][Tf 2 N] as a function of distance from mica, and by computing the normal force F z opposing the penetration of the ionic liquid film by a spherical nanometric tip interacting with [bmim][Tf 2 N] atoms by a short‐range potential. The results show that layering is important but localised within ∼1 nm from the interface. The addition of a surface charge on mica, globally neutralised by an opposite charge on the [bmim][Tf 2 N] side, gives rise to low‐amplitude charge oscillations extending through the entire film. However, outside a narrow interfacial region, the resistance of the [bmim][Tf 2 N] film to penetration by the mesoscopic tip is only marginally affected by the charge at the interface. The results obtained here for [bmim][Tf 2 N]/mica are similar to those obtained using the same method for the [bmim][Tf 2 N]/silica interface, and agree well with experimental force–distance profiles measured on the latter interface at ambient conditions." @default.
• W2131750609 created "2016-06-24" @default.
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• W2131750609 date "2012-03-05" @default.
• W2131750609 modified "2023-09-27" @default.
• W2131750609 title "Interfacial Layering of a Room-Temperature Ionic Liquid Thin Film on Mica: A Computational Investigation" @default.
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• W2131750609 doi "https://doi.org/10.1002/cphc.201100947" @default.
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