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Carbon-carbon supercapacitors: Beyond the average pore size or how electrolyte confinement and inaccessible pores affect the capacitance

El Hassane Lahrar Patrice Simon Celine Merlet
Journal of Chemical Physics

Accurate prediction of hydration free energies and solvation structures using molecular density functional theory with a simple bridge functional

Daniel Borgis Sohvi Luukkonen Luc Belloni Guillaume Jeanmairet
Journal of Chemical Physics

On the molecular correlations that result in field-dependent conductivities in electrolyte solutions

Dominika Lesnicki Chloe Gao David Limmer Benjamin Rotenberg
Journal of Chemical Physics

Toward the understanding of water-in-salt electrolytes: Individual ion activities and liquid junction potentials in highly concentrated aqueous solutions

Damien Degoulange Nicolas Dubouis Alexis Grimaud
Journal of Chemical Physics

Effect of the metallicity on the capacitance of gold–aqueous sodium chloride interfaces

Alessandra Serva Laura Scalfi Benjamin Rotenberg Mathieu Salanne
Journal of Chemical Physics

A semiclassical Thomas-Fermi model to tune the metallicity of electrodes in molecular simulations

Laura Scalfi Thomas Dufils Kyle Reeves Benjamin Rotenberg Mathieu Salanne
Journal of Chemical Physics

Mass-zero constrained molecular dynamics for electrode charges in simulations of electrochemical systems

A. Coretti L. Scalfi C. Bacon B. Rotenberg R. Vuilleumier G. Ciccotti M. Salanne S. Bonella
Journal of Chemical Physics

Ion-ion correlations across and between electrified graphene layers

Trinidad Méndez-Morales Mario Burbano Matthieu Haefele Benjamin Rotenberg Mathieu Salanne
Journal of Chemical Physics

Restricted lithium ion dynamics in PEO-based block copolymer electrolytes measured by high-field nuclear magnetic resonance relaxation

Tan Vu Huynh Robert Messinger Vincent Sarou-Kanian Franck Fayon Renaud Bouchet Michaël Deschamps
Journal of Chemical Physics

Structure and dynamics in yttrium-based molten rare earth alkali fluorides

Maximilien Levesque Vincent Sarou-Kanian Mathieu Salanne Mallory Gobet Henri Groult Catherine Bessada Paul A. Madden Anne-Laure Rollet
Journal of Chemical Physics