Making Sense of Electrical Noise by Simulating Electrolyte Solutions

Informazioni relative al progetto

SENSES

ID dell’accordo di sovvenzione: 863473

DOI

10.3030/863473

Data della firma CE 14 Gennaio 2020

Data di avvio 1 Ottobre 2020

Data di completamento 31 Marzo 2026

Finanziato da

• EXCELLENT SCIENCE - European Research Council (ERC)

Costo totale

€ 1 781 893,00

Contributo UE

€ 1 781 893,00

Coordinato da

CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS
France

CORDIS fornisce collegamenti ai risultati finali pubblici e alle pubblicazioni dei progetti ORIZZONTE.

I link ai risultati e alle pubblicazioni dei progetti del 7° PQ, così come i link ad alcuni tipi di risultati specifici come dataset e software, sono recuperati dinamicamente da .OpenAIRE .

Pubblicazioni

Peer reviewed articles (27)

Frequency-Dependent Impedance of Nanocapacitors from Electrode Charge Fluctuations as a Probe of Electrolyte Dynamics

Autori: Giovanni Pireddu, Benjamin Rotenberg
Pubblicato in: Physical Review Letters, 2023, Pagina/e Vol. 130, p. 098001, ISSN 0031-9007
Editore: American Physical Society
DOI: 10.1103/physrevlett.130.098001

Microscopic Simulations of Electrochemical Double-Layer Capacitors

Autori: Guillaume Jeanmairet, Benjamin Rotenberg, Mathieu Salanne
Pubblicato in: Chemical Reviews, 2022, Pagina/e Vol. 122, p. 10860, ISSN 0009-2665
Editore: American Chemical Society
DOI: 10.1021/acs.chemrev.1c00925

Accounting for the Quantum Capacitance of Graphite in Constant Potential Molecular Dynamics Simulations

Autori: Kateryna Goloviznina, Johann Fleischhaker, Tobias Binninger, Benjamin Rotenberg, Heigo Ers, Vladislav Ivanistsev, Robert Meissner, Alessandra Serva, Mathieu Salanne
Pubblicato in: Advanced Materials, 2024, ISSN 0935-9648
Editore: United Nations Industrial Developement Organization
DOI: 10.1002/adma.202405230

Frequency and field-dependent response of confined electrolytes from Brownian dynamics simulations

Autori: Thê Hoang Ngoc Minh, Gabriel Stoltz, Benjamin Rotenberg
Pubblicato in: The Journal of Chemical Physics, 2023, Pagina/e Vol. 158, p. 104103, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/5.0139258

Molecular Simulation of Electrode-Solution Interfaces

Autori: Laura Scalfi; Mathieu Salanne; Mathieu Salanne; Benjamin Rotenberg; Benjamin Rotenberg
Pubblicato in: Annual Review of Physical Chemistry, 2021, Pagina/e 72 (1), pp.189-212, ISSN 0066-426X
Editore: Annual Reviews, Inc.
DOI: 10.1146/annurev-physchem-090519-024042

Ionic fluctuations in finite volumes: fractional noise and hyperuniformity

Autori: Thê Hoang Ngoc Minh, Benjamin Rotenberg, Sophie Marbach
Pubblicato in: Faraday Discussions, 2023, ISSN 1359-6640
Editore: Royal Society of Chemistry
DOI: 10.1039/d3fd00031a

On the Gibbs-Thomson equation for the crystallization of confined fluids

Autori: Laura Scalfi; Benoit Coasne; Benjamin Rotenberg
Pubblicato in: Journal of Chemical Physics, 2021, Pagina/e Vol.154, pp. 114711, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/5.0044330

Induced charges in a Thomas–Fermi metal: insights from molecular simulations

Autori: Swetha Nair, Giovanni Pireddu, Benjamin Rotenberg
Pubblicato in: Molecular Physics, 2024, ISSN 0026-8976
Editore: Taylor & Francis
DOI: 10.1080/00268976.2024.2365990

Data-Driven Path Collective Variables

Autori: Arthur France-Lanord, Hadrien Vroylandt, Mathieu Salanne, Benjamin Rotenberg, A. Marco Saitta, Fabio Pietrucci
Pubblicato in: Journal of Chemical Theory and Computation, Numero 20, 2024, Pagina/e 3069-3084, ISSN 1549-9618
Editore: American Chemical Society
DOI: 10.1021/acs.jctc.4c00123

MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes

Autori: Alessandro Coretti, Camille Bacon, Roxanne Berthin, Alessandra Serva, Laura Scalfi, Iurii Chubak, Kateryna Goloviznina, Matthieu Haefele, Abel Marin-Laflèche, Benjamin Rotenberg, Sara Bonella, Mathieu Salanne
Pubblicato in: The Journal of Chemical Physics, 2022, Pagina/e Vol. 157, p. 184801, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/5.0101777

Chemi-sorbed versus physi-sorbed surface charge and its impact on electrokinetic transport: carbon versus boron-nitride surface

Autori: Etienne Mangaud, Marie-Laure Bocquet, Lydéric Bocquet, Benjamin Rotenberg
Pubblicato in: Journal of Chemical Physics, 2022, Pagina/e Vol. 156, pp. 044703, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/5.0074808

Grand-canonical molecular dynamics simulations powered by a hybrid 4D nonequilibrium MD/MC method: Implementation in LAMMPS and applications to electrolyte solutions

Autori: Jeongmin Kim, Luc Belloni, Benjamin Rotenberg
Pubblicato in: The Journal of Chemical Physics, 2023, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/5.0168878

Donnan equilibrium in charged slit-pores from a hybrid nonequilibrium molecular dynamics/Monte Carlo method with ions and solvent exchange

Autori: Jeongmin Kim, Benjamin Rotenberg
Pubblicato in: The Journal of Chemical Physics, Numero 161, 2024, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/5.0220913

On analytical theories for conductivity and self-diffusion in concentrated electrolytes

Autori: Olivier Bernard, Marie Jardat, Benjamin Rotenberg, Pierre Illien
Pubblicato in: The Journal of Chemical Physics, 2023, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/5.0165533

On the molecular correlations that result in field-dependent conductivities in electrolyte solutions

Autori: Dominika Lesnicki; Chloe Ya Gao; David T. Limmer; Benjamin Rotenberg
Pubblicato in: Journal of Chemical Physics, 2021, Pagina/e Vol 155, p 014507, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/5.0052860

Effect of the metallicity on the capacitance of gold-aqueous sodium chloride interfaces.

Autori: Alessandra Serva; Alessandra Serva; Laura Scalfi; Laura Scalfi; Benjamin Rotenberg; Benjamin Rotenberg; Mathieu Salanne; Mathieu Salanne; Mathieu Salanne
Pubblicato in: Journal of Chemical Physics, 2021, Pagina/e Vol.155 (4), pp.044703, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/5.0060316

Reduced variance analysis of molecular dynamics simulations by linear combination of estimators.

Autori: Coles, S. W.; Mangaud, E.; Frenkel, D.; Rotenberg, B.
Pubblicato in: Journal of Chemical Physics, 2021, Pagina/e Vol. 154, pp. 191101, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/5.0053737

Use the force! Reduced variance estimators for densities, radial distribution functions, and local mobilities in molecular simulations.

Autori: Rotenberg, Benjamin
Pubblicato in: Journal of Chemical Physics, 2020, Pagina/e Vol. 153, pp. 150902, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/5.0029113

Likelihood-based non-Markovian models from molecular dynamics

Autori: Hadrien Vroylandt, Ludovic Goudenège, Pierre Monmarché, Fabio Pietrucci and Benjamin Rotenberg
Pubblicato in: Proceedings of the National Academy of Sciences of the United States of America, 2022, Pagina/e Vol. 118, pp. e2117586119, ISSN 0027-8424
Editore: National Academy of Sciences
DOI: 10.1073/pnas.2117586119

Stochastic Density Functional Theory for Ions in a Polar Solvent

Autori: Pierre Illien, Antoine Carof, Benjamin Rotenberg
Pubblicato in: Physical Review Letters, Numero 133, 2025, ISSN 0031-9007
Editore: American Physical Society
DOI: 10.1103/physrevlett.133.268002

Electrical noise in electrolytes: a theoretical perspective

Autori: Thê Hoang Ngoc Minh, Jeongmin Kim, Giovanni Pireddu, Iurii Chubak, Swetha Nair, Benjamin Rotenberg
Pubblicato in: Faraday Discussions, 2023, ISSN 1359-6640
Editore: Royal Society of Chemistry
DOI: 10.1039/d3fd00026e

Quadrupolar 23Na+ NMR relaxation as a probe of subpicosecond collective dynamics in aqueous electrolyte solutions

Autori: Iurii Chubak, Leeor Alon, Emilia V Silletta, Guillaume Madelin, Alexej Jerschow, Benjamin Rotenberg
Pubblicato in: Nature Communications, 2023, Pagina/e Vol. 14, p. 84, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-022-35695-3

NMR Relaxation Rates of Quadrupolar Aqueous Ions from Classical Molecular Dynamics Using Force-Field Specific Sternheimer Factors.

Autori: Iurii Chubak; Laura Scalfi; Antoine Carof; Benjamin Rotenberg
Pubblicato in: Journal of Chemical Theory and Computation, 2021, Pagina/e Vol. 17, pp. 6006, ISSN 1549-9618
Editore: American Chemical Society
DOI: 10.1021/acs.jctc.1c00690

Effects of surface rigidity and metallicity on dielectric properties and ion interactions at aqueous hydrophobic interfaces

Autori: Philip Loche, Laura Scalfi, Mustakim Ali Amu, Otto Schullian, Douwe Bonthuis, Benjamin Rotenberg, Roland Netz
Pubblicato in: The Journal of Chemical Physics, 2022, Pagina/e Vol. 157, p. 094707, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/5.0101509

Impedance of nanocapacitors from molecular simulations to understand the dynamics of confined electrolytes

Autori: Giovanni Pireddu, Connie Fairchild, Samuel Niblett, Stephen J. Cox, Benjamin Rotenberg
Pubblicato in: Proceedings of the National Academy of Sciences, 2023, ISSN 0027-8424
Editore: National Academy of Sciences
DOI: 10.26434/chemrxiv-2023-2ccrw

Microscopic origin of the effect of substrate metallicity on interfacial free energies

Autori: Laura Scalfi, Benjamin Rotenberg
Pubblicato in: Proceedings of the National Academy of Sciences, 2021, Pagina/e Vol. 118, pp. e2108769118, ISSN 0027-8424
Editore: National Academy of Sciences
DOI: 10.1073/pnas.2108769118

A molecular perspective on induced charges on a metallic surface.

Autori: Giovanni Pireddu; Laura Scalfi; Laura Scalfi; Benjamin Rotenberg; Benjamin Rotenberg
Pubblicato in: Journal of Chemical Physics, 2021, Pagina/e Vol. 155, pp. 204705, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/5.0076127