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Highly confined ions store charge more efficiently in supercapacitors

Merlet, Céline and Péan, Clarisse and Rotenberg, Benjamin and Madden, Paul Anthony and Daffos, Barbara and Taberna, Pierre-Louis and Simon, Patrice and Salanne, Mathieu Highly confined ions store charge more efficiently in supercapacitors. (2013) Nature Communications, 4 (2701). 1-6. ISSN 2041-1723

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Official URL: http://dx.doi.org/10.1038/ncomms3701

Abstract

Liquids exhibit specific properties when they are adsorbed in nanoporous structures. This is particularly true in the context of supercapacitors, for which an anomalous increase in performance has been observed for nanoporous electrodes. This enhancement has been traditionally attributed in experimental studies to the effect of confinement of the ions from the electrolyte inside sub-nanometre pores, which is accompanied by their partial desolvation. Here we perform molecular dynamics simulations of realistic supercapacitors and show that this picture is correct at the microscopic scale. We provide a detailed analysis of the various environments experienced by the ions. We pick out four different adsorption types, and we, respectively, label them as edge, planar, hollow and pocket sites upon increase of the coordination of the molecular species by carbon atoms from the electrode. We show that both the desolvation and the local charge stored on the electrode increase with the degree of confinement.

Item Type:Article
Additional Information:Thanks to Nature Publishing Group. The definitive version is available at http://www.nature.com The original PDF of the article can be found at Nature Communications website : http://www.nature.com/ncomms/2013/131029/ncomms3701/full/ncomms3701.html
HAL Id:hal-01157828
Audience (journal):International peer-reviewed journal
Uncontrolled Keywords:
Institution:French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE)
Université de Toulouse > Institut National Polytechnique de Toulouse - INPT (FRANCE)
Other partners > Université Pierre et Marie Curie, Paris 6 - UPMC (FRANCE)
Université de Toulouse > Université Toulouse III - Paul Sabatier - UPS (FRANCE)
Other partners > Réseau de stockage électrochimique de l’énergie - Energie RS2E (FRANCE)
Other partners > Ecole supérieure de physique et de chimie industrielles ParisTech - ESPCI (FRANCE)
Other partners > University of Oxford (UNITED KINGDOM)
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Funders:
Agence nationale de la recherche (France) - European Commission
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Deposited By: cirimat webmestre
Deposited On:28 May 2015 14:14

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