Electronic Screening Using a Virtual Thomas–Fermi Fluid for Predicting Wetting and Phase Transitions of Ionic Liquids at Metal Surfaces

Electronic Screening Using a Virtual Thomas–Fermi Fluid for Predicting Wetting and Phase Transitions of Ionic Liquids at Metal Surfaces

Alexander Schlaich, Dongliang Jin, Lyderic Bocquet & Benoit Coasne

We present a novel molecular approach which allows for a versatile description of electronic screening while capturing molecular aspects inherent to molecular fluids in nanoconfined/interfacial environments. We build on the Thomas–Fermi formalism for electrostatic screening to develop an effective approach dealing with any imperfect metal between these asymptotes. By applying this strategy to a nanoconfined ionic liquid, we demonstrate an unprecedented wetting transition upon switching the confining medium from insulating to metallic. This novel approach provides a powerful framework to predict the unusual behavior of dipolar and ionic liquids – in particular inside nanoporous metallic materials or in the vicinity of metallic surfaces, with direct applications for energy storage and catalysis.

Nature Materials (2021)
Corresponding Author: Benoit Coasne

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