Objectif Supercapacitors are of great interest as energy storage systems because they exhibit very high rates of charge/discharge, long cycle lifes, and they are made of cheap and light materials. These attractive properties arise from the electrostatic nature of the charge storage which results from ion adsorption in the electrode pores. Recently, it was demonstrated that ions can enter pores of sub-nanometer sizes leading to a huge increase of capacitance. This was an important breakthrough as the energy density of supercapacitors, relatively low compared to batteries, is what currently limits their application. The progress towards more powerful supercapacitors is limited by our incomplete understanding of the relation between their performance, in particular their capacitance and charging rate, and the complex structure of the porous carbon electrodes. To make progress we need a better fundamental understanding of the ion transport and electrolyte structure in the pores but we are lacking the experimental and theoretical methods to do so. The aim of SuPERPORES is to carry out a systematic multi-scale simulation study of supercapacitors. The use of combined molecular and mesoscopic simulations will allow us to calculate the capacitive and transport properties of a wide range of systems. Molecular simulations will be used to model ordered three-dimensional porous carbons. This will allow us to vary geometric descriptors, e.g. pore size and ion size, in a systematic way and obtain relevant microscopic information for the subsequent computational screening of porous carbons, achieved through very efficient lattice simulations. We will then be able to formulate design principles for a new, and much improved, generation of supercapacitors. The simulations will also provide other macroscopic properties, e.g. adsorption isotherms and pair distribution functions, which will be used to propose a new method to determine accurately the structure of disordered porous carbons. Champ scientifique natural sciencescomputer and information sciencesdatabasesnatural sciencesmathematicspure mathematicstopologyengineering and technologyenvironmental engineeringenergy and fuelsrenewable energywind powernatural sciencescomputer and information sciencescomputational sciencemultiphysicsnatural sciencescomputer and information sciencesartificial intelligencemachine learning Mots‑clés Supercapacitors electrode-electrolyte interface ion transport in confined systems multi-scale simulations porous carbons capacitance Programme(s) H2020-EU.1.1. - EXCELLENT SCIENCE - European Research Council (ERC) Main Programme Thème(s) ERC-2016-STG - ERC Starting Grant Appel à propositions ERC-2016-STG Voir d’autres projets de cet appel Régime de financement ERC-STG - Starting Grant Institution d’accueil CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS Contribution nette de l'UE € 1 240 318,00 Adresse RUE MICHEL ANGE 3 75794 Paris France Voir sur la carte Région Ile-de-France Ile-de-France Paris Type d’activité Research Organisations Liens Contacter l’organisation Opens in new window Site web Opens in new window Participation aux programmes de R&I de l'UE Opens in new window Réseau de collaboration HORIZON Opens in new window Coût total € 1 240 318,00 Bénéficiaires (1) Trier par ordre alphabétique Trier par contribution nette de l'UE Tout développer Tout réduire CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS France Contribution nette de l'UE € 1 240 318,00 Adresse RUE MICHEL ANGE 3 75794 Paris Voir sur la carte Région Ile-de-France Ile-de-France Paris Type d’activité Research Organisations Liens Contacter l’organisation Opens in new window Site web Opens in new window Participation aux programmes de R&I de l'UE Opens in new window Réseau de collaboration HORIZON Opens in new window Coût total € 1 240 318,00