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Mathieu Salanne

by Mathieu Salanne - 9 October 2009

All the versions of this article: English , français

Professor - Sorbonne University

ORCID: 0000-0002-1753-491X

ResearcherID: F-4029-2014


Tel: +33 1 44 27 32 65

Fax: +33 1 44 27 32 28

Main research topics

Simulation of supercapacitors

We simulate systems consisting in ionic liquids electrolytes and carbon electrodes. We adopt a bottom-up strategy which consists in starting from a simple system with planar graphite electrodes before to tackle the more complex problem of realistic nanoporous electrodes. In our simulations we can apply a potential difference between the electrodes of the supercapacitor, which allows us to calculate the capacitances of the various setups.

Development of polarizable force fields

Many modeling problems in materials science involve finite temperature simulations with a realistic representation of the interatomic interactions. In ionic systems, it is possible to introduce physically motivated model potentials for the interactions, in which additional degrees of freedom provide a ¿cartoon¿ of the response of the electronic structure of the ions to their changing coordination environments. These potentials may then be parametrized by fitting the predicted forces and multipoles to a large body of information generated from DFT calculations. Such potentials are predictive, of first-principles accuracy, and have a high degree of transferability between different systems. In our laboratory we are currently developing such polarizable force fields for various systems such as ionic liquids or clays.

Team and main collaborators

Selected publications

The full list of publications can be found here.

- Tuning the water reduction through controlled nanoconfinement within an organic liquid matrix

Nicolas Dubouis, Alessandra Serva, Roxanne Berthin, Guillaume Jeanmairet, Benjamin Porcheron, Elodie Salager, Mathieu Salanne & Alexis Grimaud, Nature Catalysis, 3, 656—663 (2020) - preprint

- Competitive salt precipitation/dissolution during free-water reduction in water-in-salt electrolyte

Roza Bouchal, Zhujie Li, Chandra Bongu, Steven Le Vot, Romain Berthelot, Benjamin Rotenberg, Frederic Favier, Stefan A. Freunberger, Mathieu Salanne & Olivier Fontaine, Angew. Chem., Int. Ed., 59, 15913-15917 (2020)

- Simulating electrochemical systems by combining the finite field method with a constant potential electrode

Thomas Dufils, Guillaume Jeanmairet, Benjamin Rotenberg, Michiel Sprik & Mathieu Salanne, Phys. Rev. Lett., 123, 195501 (2019) - preprint

- Navigating at will on the water phase diagram

Silvio Pipolo, Mathieu Salanne, Guillaume Ferlat, Stefan Klotz, A. Marco Saitta & Fabio Pietrucci, Phys. Rev. Lett., 119, 245701 (2017)

- Efficient storage mechanisms for building better supercapacitors

Mathieu Salanne, Benjamin Rotenberg, Katsuhiko Naoi, Katsumi Kaneko, Pierre-Louis Taberna, Clare Grey, Bruce Dunn & Patrice Simon, Nature Energy, 1, 16070 (2016)

- Sparse cyclic excitations explain the low ionic conductivity of stoichiometric Li7La3Zr2O12

Mario Burbano, Dany Carlier, Florent Boucher, Benjamin Morgan & Mathieu Salanne, Phys. Rev. Lett., 116, 135901 (2016), Copyright 2016 by the American Physical Society

- Confinement, Desolvation, And Electrosorption Effects on the
Diffusion of Ions in Nanoporous Carbon Electrodes

Clarisse Pean, Barbara Daffos, Benjamin Rotenberg, Pierre Levitz, Matthieu Haefele, Pierre-Louis Taberna, Patrice Simon & Mathieu Salanne JACS 137 12627–12632 (2015)

- Highly confined ions store charge more efficiently in supercapacitors

Céline Merlet, Clarisse Péan, Benjamin Rotenberg, Paul Madden, Barbara Daffos, Pierre-Louis Taberna, Patrice Simon & Mathieu Salanne Nature Commun. 4 2701 (2013)

- On the molecular origin of supercapacitance in nanoporous carbon electrodes

Céline Merlet, Benjamin Rotenberg, Paul A. Madden, Pierre-Louis Taberna, Patrice Simon, Yury Gogotsi & Mathieu Salanne Nature Mater. 11 306-310 (2012)

- Charge fluctuations in nano-scale capacitors

David T. Limmer, Céline Merlet, Mathieu Salanne, David Chandler, Paul A. Madden, René van Roij & Benjamin Rotenberg Phys. Rev. Lett. 111, 106102 (2013), Copyright 2013 by the American Physical Society