%0 Journal Article %1 Schlaich2022 %A Schlaich, Alexander %A Jin, Dongliang %A Bocquet, Lyderic %A Coasne, Benoit %D 2022 %J Nature Materials %K EXC2075 PN3 PN3-15 curated %N 2 %P 237--245 %R 10.1038/s41563-021-01121-0 %T Electronic screening using a virtual Thomas--Fermi fluid for predicting wetting and phase transitions of ionic liquids at metal surfaces %U https://doi.org/10.1038/s41563-021-01121-0 %V 21 %X Of relevance to energy storage, electrochemistry and catalysis, ionic and dipolar liquids display unexpected behaviours---especially in confinement. Beyond adsorption, over-screening and crowding effects, experiments have highlighted novel phenomena, such as unconventional screening and the impact of the electronic nature---metallic versus insulating---of the confining surface. Such behaviours, which challenge existing frameworks, highlight the need for tools to fully embrace the properties of confined liquids. Here we introduce a novel approach that involves electronic screening while capturing molecular aspects of interfacial fluids. Although available strategies consider perfect metal or insulator surfaces, we build on the Thomas--Fermi formalism to develop an effective approach that deals with any imperfect metal between these asymptotes. Our approach describes electrostatic interactions within the metal through a `virtual' Thomas--Fermi fluid of charged particles, whose Debye length sets the screening length $łambda$. We show that this method captures the electrostatic interaction decay and electrochemical behaviour on varying $łambda$. By applying this strategy to an ionic liquid, we unveil a wetting transition on switching from insulating to metallic conditions.

@article{Schlaich2022, abstract = {Of relevance to energy storage, electrochemistry and catalysis, ionic and dipolar liquids display unexpected behaviours---especially in confinement. Beyond adsorption, over-screening and crowding effects, experiments have highlighted novel phenomena, such as unconventional screening and the impact of the electronic nature---metallic versus insulating---of the confining surface. Such behaviours, which challenge existing frameworks, highlight the need for tools to fully embrace the properties of confined liquids. Here we introduce a novel approach that involves electronic screening while capturing molecular aspects of interfacial fluids. Although available strategies consider perfect metal or insulator surfaces, we build on the Thomas--Fermi formalism to develop an effective approach that deals with any imperfect metal between these asymptotes. Our approach describes electrostatic interactions within the metal through a `virtual' Thomas--Fermi fluid of charged particles, whose Debye length sets the screening length $\lambda$. We show that this method captures the electrostatic interaction decay and electrochemical behaviour on varying $\lambda$. By applying this strategy to an ionic liquid, we unveil a wetting transition on switching from insulating to metallic conditions.}, added-at = {2024-07-17T10:49:37.000+0200}, author = {Schlaich, Alexander and Jin, Dongliang and Bocquet, Lyderic and Coasne, Benoit}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2b0ded64ef26aa9826b4d6570577071e7/simtech}, day = 01, doi = {10.1038/s41563-021-01121-0}, interhash = {ea1917b4c23979e91e0b2d2dcc9096fd}, intrahash = {b0ded64ef26aa9826b4d6570577071e7}, issn = {1476-4660}, journal = {Nature Materials}, keywords = {EXC2075 PN3 PN3-15 curated}, month = feb, number = 2, pages = {237--245}, timestamp = {2024-07-19T15:09:42.000+0200}, title = {Electronic screening using a virtual Thomas--Fermi fluid for predicting wetting and phase transitions of ionic liquids at metal surfaces}, url = {https://doi.org/10.1038/s41563-021-01121-0}, volume = 21, year = 2022 }