Objetivo 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. Ámbito científico 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 Palabras clave Supercapacitors electrode-electrolyte interface ion transport in confined systems multi-scale simulations porous carbons capacitance Programa(s) H2020-EU.1.1. - EXCELLENT SCIENCE - European Research Council (ERC) Main Programme Tema(s) ERC-2016-STG - ERC Starting Grant Convocatoria de propuestas ERC-2016-STG Consulte otros proyectos de esta convocatoria Régimen de financiación ERC-STG - Starting Grant Institución de acogida CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS Aportación neta de la UEn € 1 240 318,00 Dirección RUE MICHEL ANGE 3 75794 Paris Francia Ver en el mapa Región Ile-de-France Ile-de-France Paris Tipo de actividad Research Organisations Enlaces Contactar con la organización Opens in new window Sitio web Opens in new window Participación en los programas de I+D de la UE Opens in new window Red de colaboración de HORIZON Opens in new window Coste total € 1 240 318,00 Beneficiarios (1) Ordenar alfabéticamente Ordenar por aportación neta de la UE Ampliar todo Contraer todo CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS Francia Aportación neta de la UEn € 1 240 318,00 Dirección RUE MICHEL ANGE 3 75794 Paris Ver en el mapa Región Ile-de-France Ile-de-France Paris Tipo de actividad Research Organisations Enlaces Contactar con la organización Opens in new window Sitio web Opens in new window Participación en los programas de I+D de la UE Opens in new window Red de colaboración de HORIZON Opens in new window Coste total € 1 240 318,00