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Structure-performance relationships in porous carbons for energy storage

Total Cost €


EC-Contrib. €






Project "SuPERPORES" data sheet

The following table provides information about the project.


Organization address
address: RUE MICHEL ANGE 3
city: PARIS
postcode: 75794

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country France [FR]
 Project website
 Total cost 1˙240˙318 €
 EC max contribution 1˙240˙318 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2016-STG
 Funding Scheme ERC-STG
 Starting year 2017
 Duration (year-month-day) from 2017-07-01   to  2022-06-30


Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 


 Project objective

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.


year authors and title journal last update
List of publications.
2019 El Hassane Lahrar, Anouar Belhboub, Patrice Simon, Céline Merlet
Ionic Liquids under Confinement: From Systematic Variations of the Ion and Pore Sizes toward an Understanding of the Structure and Dynamics in Complex Porous Carbons
published pages: 1789-1798, ISSN: 1944-8244, DOI: 10.1021/acsami.9b16740
ACS Applied Materials & Interfaces 12/1 2020-02-28
2019 Yifei Michelle Liu, Céline Merlet, Berend Smit
Carbons with Regular Pore Geometry Yield Fundamental Insights into Supercapacitor Charge Storage
published pages: , ISSN: 2374-7951, DOI: 10.1021/acscentsci.9b00800
ACS Central Science 2019-11-25
2019 Amangeldi Torayev, Pieter C M M Magusin, Clare P Grey, Céline Merlet, Alejandro A Franco
Text mining assisted review of the literature on Li-O 2 batteries
published pages: 44004, ISSN: 2515-7639, DOI: 10.1088/2515-7639/ab3611
Journal of Physics: Materials 2/4 2019-11-25
2019 Anouar Belhboub, El Hassane Lahrar, Patrice Simon, Céline Merlet
On the development of an original mesoscopic model to predict the capacitive properties of carbon-carbon supercapacitors
published pages: 135022, ISSN: 0013-4686, DOI: 10.1016/j.electacta.2019.135022
Electrochimica Acta 327 2019-11-25
2018 Amangeldi Torayev, Pieter C. M. M. Magusin, Clare P. Grey, Céline Merlet, Alejandro A. Franco
Importance of Incorporating Explicit 3D-Resolved Electrode Mesostructures in Li–O 2 Battery Models
published pages: 6433-6441, ISSN: 2574-0962, DOI: 10.1021/acsaem.8b01392
ACS Applied Energy Materials 1/11 2019-03-11
2018 Volker L. Deringer, Céline Merlet, Yuchen Hu, Tae Hoon Lee, John A. Kattirtzi, Oliver Pecher, Gábor Csányi, Stephen R. Elliott, Clare P. Grey
Towards an atomistic understanding of disordered carbon electrode materials
published pages: 5988-5991, ISSN: 1359-7345, DOI: 10.1039/c8cc01388h
Chemical Communications 54/47 2019-03-11
2018 Amangeldi Torayev, Alexis Rucci, Pieter C. M. M. Magusin, Arnaud Demortière, Vincent De Andrade, Clare P. Grey, Céline Merlet, Alejandro A. Franco
Stochasticity of Pores Interconnectivity in Li–O 2 Batteries and its Impact on the Variations in Electrochemical Performance
published pages: 791-797, ISSN: 1948-7185, DOI: 10.1021/acs.jpclett.7b03315
The Journal of Physical Chemistry Letters 9/4 2019-03-11

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