Published April 12, 2023
| Version v1
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Data associated to the article "On the key role of electrolyte-electrode van der Waals interactions in the simulation of ionic liquids-based supercapacitors"
Authors/Creators
- 1. Sorbonne Université
- 2. Université de Toulouse
Description
Contains input files and data used to generate the figures of the article:
On the key role of electrolyte-electrode van der Waals interactions in the simulation of ionic liquids-based supercapacitors
Camille Bacon, Alessandra Serva, Céline Merlet, Patrice Simon, and Mathieu Salanne,
*Electrochimica Acta*, 2023
See here for a preprint: https://chemrxiv.org/engage/chemrxiv/article-details/63a0354aa53ea6785d504e28
The folder *input_files* contains input files for each system for MetalWalls, which is available at https://gitlab.com/ampere2/metalwalls
The folder *raw_data* contain files with the data used to plot the Figures of the paper
Files
bacon_electrochimicaacta_2023.zip
Files
(17.6 MB)
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md5:73a4a00133372c44175977382f185691
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17.6 MB | Preview Download |
Additional details
Funding
- Agence Nationale de la Recherche
- STORE-EX - Laboratory of excellency for electrochemical energy storage ANR-10-LABX-0076
- European Commission
- SuPERPORES - Structure-performance relationships in porous carbons for energy storage 714581
- European Commission
- AMPERE - Accounting for Metallicity, Polarization of the Electrolyte, and Redox reactions in computational Electrochemistry 771294