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Ionic Liquids under Confinement: From Systematic Variations of the Ion and Pore Sizes toward an Understanding of the Structure and Dynamics in Complex Porous Carbons

Lahrar, El Hassane and Belhboub, Anouar and Simon, Patrice and Merlet, Céline Ionic Liquids under Confinement: From Systematic Variations of the Ion and Pore Sizes toward an Understanding of the Structure and Dynamics in Complex Porous Carbons. (2020) ACS Applied Materials and Interfaces, 12 (1). 1789-1798. ISSN 1944-8244

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Official URL: https://doi.org/10.1021/acsami.9b16740

Abstract

We use molecular simulations of an ionic liquid in contact with a range of nanoporous carbons to investigatecorrelations between the ion size, pore size, pore topology, and properties of the adsorbed ions. We show that diffusioncoefficients increase with the anion size and, surprisingly, with the quantity of adsorbed ions. Bothfindings are interpreted interms of confinement: when the in-pore population increases, additional ions are located in less-confined sites and diffuse faster.Simulations in which the pores are enlarged while keeping the topology constant support these observations. The interpretationof properties across structures is more challenging. An interesting point is that smaller pores do not necessarily lead to a largerconfinement. In this work, the highest degrees of confinement are observed for intermediate pore sizes. We also show acorrelation between the quantity of adsorbed ions and the ratio between the maximum pore diameter and the pore limitingdiameter.

Item Type:Article
Additional Information:This is an open access article published under an ACS AuthorChoice License, which permitscopying and redistribution of the article or any adaptations for non-commercial purposes.
Audience (journal):International peer-reviewed journal
Uncontrolled Keywords:
Institution:French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE)
Other partners > Collège de France (FRANCE)
Other partners > Ecole Nationale Supérieure de Chimie de Paris - ENSCP (FRANCE)
Other partners > Ecole Nationale Supérieure de Chimie de Montpellier - ENSCM (FRANCE)
Université de Toulouse > Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)
Other partners > Institut polytechnique de Grenoble (FRANCE)
Other partners > Université Paris Sciences & Lettres - PSL (FRANCE)
Other partners > Sorbonne Université (FRANCE)
Other partners > Université Grenoble Alpes - UGA (FRANCE)
Université de Toulouse > Université Toulouse III - Paul Sabatier - UT3 (FRANCE)
Other partners > Université de Nantes (FRANCE)
Other partners > Université de Picardie Jules Verne (FRANCE)
Other partners > Université de Pau et des Pays de l'Adour - UPPA (FRANCE)
Other partners > Université de Haute Alsace - UHA (FRANCE)
Other partners > Université de Montpellier (FRANCE)
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Deposited On:17 Feb 2021 09:02

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