On the key role of electrolyte-electrode van der Waals interactions in the simulation of ionic liquids-based supercapacitors

Autor: Camille Bacon, Alessandra Serva, Céline Merlet, Patrice Simon, Mathieu Salanne

Publikováno v: Electrochimica Acta
Electrochimica Acta, 2023, 455, pp.142380. ⟨10.1016/j.electacta.2023.142380⟩

International audience; The performance of supercapacitors is governed by the structure and dynamics of ions at the solid/liquid interface. At the molecular scale, these properties result from a subtle combination of electrolyte-electrolyte and elect

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e01cef34c6cfba75852b13408d1d3654
https://doi.org/10.26434/chemrxiv-2022-v2sm6

Mesoscopic simulations of the

Autor: Anagha, Sasikumar, Anouar, Belhboub, Camille, Bacon, Alexander C, Forse, John M, Griffin, Clare P, Grey, Patrice, Simon, Céline, Merlet

Publikováno v: Physical chemistry chemical physics : PCCP. 23(30)

In situ NMR spectroscopy is a powerful technique to investigate charge storage mechanisms in carbon-based supercapacitors thanks to its ability to distinguish ionic and molecular species adsorbed in the porous electrodes from those in the bulk electr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::8cec5625c137445a8591fc71dfb28eba
https://pubmed.ncbi.nlm.nih.gov/34286771

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

Autor: Giovanni Ciccotti, Laura Scalfi, Alessandro Coretti, Camille Bacon, Benjamin Rotenberg, Mathieu Salanne, Rodolphe Vuilleumier, Sara Bonella

Publikováno v: Journal of Chemical Physics
Journal of Chemical Physics, 2020, 152 (19), pp.194701. ⟨10.1063/5.0007192⟩
Journal of Chemical Physics, American Institute of Physics, 2020, 152 (19), pp.194701. ⟨10.1063/5.0007192⟩
The Journal of Chemical Physics

International audience; Classical molecular dynamics simulations have recently become a standard tool for the study of electrochemical systems. State-of-the-art approaches represent the electrodes as perfect conductors, modelling their responses to t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::01b59e9a2b7d43bb29d51588403f7ce0

A Legacy of Daemons

Autor: Camille Bacon-Smith

Third in the paranormal detective series Evan Davis and his partners, Brad and Lily, attract the jobs no other detective can handle-cases with a dangerous, otherworldly slant. But no one is better equipped for this because Lily and Brad are powerful

Mesoscopic simulations of the in situ NMR spectra of porous carbon based supercapacitors: electronic structure and adsorbent reorganisation effects

Autor: Anouar Belhboub, Clare P. Grey, John M. Griffin, Anagha Sasikumar, Alexander C. Forse, Céline Merlet, Patrice Simon, Camille Bacon

Publikováno v: Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2021, ⟨10.1039/D1CP02130C⟩
Physical Chemistry Chemical Physics, 2021, ⟨10.1039/D1CP02130C⟩

International audience; In situ NMR spectroscopy is a powerful technique to investigate charge storage mechanisms in carbon-based supercapacitors thanks to its ability to distinguish ionic and molecular species adsorbed in the porous electrodes from

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5e7f22f4e3b107a0be6af1e8bda02ac1