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Mathieu Salanne

by Mathieu Salanne - 9 October 2009

All the versions of this article: English , français

Professor - Sorbonne University

Chair of the Maison de la Simulation

ORCID: 0000-0002-1753-491X

ResearcherID: F-4029-2014

Contact

Tel: +33 1 44 27 32 65

Fax: +33 1 44 27 32 28 e-mail: mathieu.salanne ad upmc.fr

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.

- Navigating at will on the water phase diagram

Silvio Pipolo, Mathieu Salanne, Guillaume Ferlat, Stefan Klotz, A. Marco Saitta & Fabio Pietrucci, Phys. Rev. Lett., in press

- Reversible magnesium and aluminium ions insertion in cation-deficient anatase TiO2

Toshinari Koketsu, Jiwei Ma, Benjamin Morgan, Monique Body, Christophe Legein, Walid Dachraoui, Mattia Giannini, Arnaud Demortière, Mathieu Salanne, François Dardoize, Henri Groult, Olaf Borkiewicz, Karena Chapman, Peter Strasser & Damien Dambournet, Nature Materials, 16, 1142 (2017)

- Partial breaking of the Coulombic ordering of ionic liquids confined in carbon nanopores

Ryusuke Futamura, Taku Iiyama, Yuma Takasaki, Yury Gogotsi, Mark Biggs, Mathieu Salanne, Julie Ségalini, Patrice Simon & Katsumi Kaneko, Nature Materials, 16, 1225 (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)

PDF - 388.8 kb

- 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

PDF - 1.4 Mb

- 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)

- On the Dynamics of Charging in Nanoporous Carbon-Based Supercapacitors

Clarisse Péan , Céline Merlet , Benjamin Rotenberg , Paul Anthony Madden , Pierre-Louis Taberna , Barbara Daffos , Mathieu Salanne & Patrice Simon ACS Nano 8 1576-1583 (2014)

- 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)

PDF - 996.2 kb

- 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

PDF - 607 kb

- From Localized Orbitals to Material Properties: Building Classical Force Fields for Nonmetallic Condensed Matter Systems

Benjamin Rotenberg, Mathieu Salanne, Christian Simon & Rodolphe Vuilleumier Phys. Rev. Lett. 104 (13) 138301 (2010), Copyright 2010 by the American Physical Society.