A semiclassical Thomas–Fermi model to tune the metallicity of electrodes in molecular simulations-Reference-Cited by-同舟云学术

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A semiclassical Thomas–Fermi model to tune the metallicity of electrodes in molecular simulations

Published:2020-11-07 Issue:17 Volume:153 Page:174704
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Scalfi Laura¹²^ORCID,Dufils Thomas¹²^ORCID,Reeves Kyle G.¹²^ORCID,Rotenberg Benjamin¹²^ORCID,Salanne Mathieu¹²³^ORCID

Affiliation:

1. Sorbonne Université, CNRS, Physico-chimie des Électrolytes et Nanosystèmes Interfaciaux, PHENIX, F-75005 Paris, France

2. Réseau sur le Stockage Electrochimique de l’Energie (RS2E), FR CNRS 3459, 80039 Amiens Cedex, France

3. Institut Universitaire de France (IUF), 75231 Paris Cedex 05, France

Funder

Agence Nationale de la Recherche

Grand Équipement National De Calcul Intensif

H2020 European Research Council

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/5.0028232

Reference38 articles.

1. Influence of surface topology and electrostatic potential on water/electrode systems

2. On the molecular origin of supercapacitance in nanoporous carbon electrodes

3. Molecular understanding of charge storage and charging dynamics in supercapacitors with MOF electrodes and ionic liquid electrolytes

4. Hydration of metal surfaces can be dynamically heterogeneous and hydrophobic

5. Charge fluctuations from molecular simulations in the constant-potential ensemble

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