output
20132026
most citedSinglet Oxygen Generation as a Major Cause for Parasitic Reactions during Cycling of Aprotic Lithium-Oxygen Batteries

443 citations

Showing physics.comp-phShow all

5 papers · 1 filter

physics.comp-ph2023★ 31 cited

Computational Model for Predicting Particle Fracture During Electrode Calendering

Jiahui Xu, Brayan Paredes-Goyes, Zeliang Su +4

In the context of calling for low carbon emissions, lithium-ion batteries (LIBs) have been widely concerned as a power source for electric vehicles, so the fundamental science behi…

physics.comp-ph2020★ 139 cited

Molecular Simulation of Electrode-Solution Interfaces

Laura Scalfi, Mathieu Salanne, Benjamin Rotenberg

Many key industrial processes, from electricity production, conversion and storage to electrocatalysis or electrochemistry in general, rely on physical mechanisms occurring at the…

physics.comp-ph2019★ 22 cited

Lattice Boltzmann Electrokinetics simulation of nanocapacitors

Adelchi J. Asta, Ivan Palaia, Emmanuel Trizac +2

We propose a method to model metallic surfaces in Lattice Boltzmann Electrokinetics simulations (LBE), a lattice-based algorithm rooted in kinetic theory which captures the coupled…

physics.comp-ph2017★ 12 cited

Transient hydrodynamic finite size effects in simulations under periodic boundary conditions

Adelchi J. Asta, Maximilien Levesque, Rodolphe Vuilleumier +1

We use Lattice-Boltzmann and analytical calculations to investigate transient hydrodynamic finite size effects induced by the use of periodic boundary conditions in simulations at…

physics.comp-ph2013★ 170 cited

Charge fluctuations in nano-scale capacitors

David T. Limmer, Céline Merlet, Mathieu Salanne +4

The fluctuations of the charge on an electrode contain information on the microscopic correlations within the adjacent fluid and their effect on the electronic properties of the in…