Laboratoire de Physique Théorique de la Matière Condensée

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Benjamin Rotenberg (PHENIX)

Calendar
Séminaires
Date
31.03.2026 10:45 - 11:45
Location
Salle 523, couloir 12-13, 5è étage

Description

Making Sense of Electrical Noise by Simulating Electrolyte Solutions

Seemingly unrelated experiments such as electrolyte transport through nanotubes, nano-scale electrochemistry, NMR relaxometry and Surface Force Balance measurements, all probe electrical fluctuations: of the electric current, the charge and polarization, the field gradient (for quadrupolar nuclei) and the coupled mass/charge densities. By combining Statistical Mechanics with molecular and mesoscopic simulations, it is possible to predict the fluctuations of these observables from the dynamics of ions and solvent molecules, thereby enabling experimentalists to decipher the microscopic properties encoded in the measured electrical noise. In this presentation, I will illustrate this idea, focusing on the link between the electrode charge fluctuations in nanocapacitors, the electrochemical response, and the properties of the interfacial electrolyte. 

References

https://benrotenberg.github.io/erc-senses/

Electrical noise in electrolytes: a theoretical perspective
T. Hoang Ngoc Minh, J. Kim, G. Pireddy, I. Chubak, S. Nair, B. Rotenberg,
Faraday Discuss., 246, 198 (2023).
 
Charge fluctuations from molecular simulations in the constant-potential ensemble.
L. Scalfi, D.T. Limmer, A. Coretti, S. Bonella, P.A. Madden, M. Salanne, B. Rotenberg, 
Phys. Chem. Chem. Phys., 22, 10480 (2020).
 
Molecular simulation of electrode-solution interfaces. 
L. Scalfi, M. Salanne, and B. Rotenberg, 
Ann. Rev. Phys. Chem., 72, 189, (2021).
 
Frequency-dependent impedance of nanocapacitors from electrode charge fluctuations as a probe of electrolyte dynamics. 
G. Pireddu and B. Rotenberg. 
Phys. Rev. Lett., 130, 098001, (2023).
 
Impedance of nanocapacitors from molecular simulations to understand the dynamics of confined electrolytes
G. Pireddu, C.J. Fairchild, S.P. Niblett, S.J. Cox and B. Rotenberg.
PNAS, 121(18), e2318157121 (2024).
 
Stochastic Density Functional Theory for Ions in a Polar Solvent
P. Illien, A. Carof, B. Rotenberg.
Phys. Rev. Lett., 133, 268002 (2024)