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

443 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2019Show all

5 papers · 1 filter

cond-mat.mtrl-sci2019★ 83 cited

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

Laura Scalfi, Thomas Dufils, Kyle Reeves +2

Spurred by the increasing needs in electrochemical energy storage devices, the electrode/electrolyte interface has received a lot of interest in recent years. Molecular dynamics si…

cond-mat.stat-mech2019★ 27 cited

Field-dependent ionic conductivities from generalized fluctuation-dissipation relations

Dominika Lesnicki, Chloe Y. Gao, Benjamin Rotenberg +1

We derive a relationship for the electric field dependent ionic conductivity in terms of fluctuations of time integrated microscopic variables. We demonstrate this formalism with m…

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.chem-ph2019★ 49 cited

Study of a water-graphene capacitor with molecular density functional theory

Guillaume Jeanmairet, Benjamin Rotenberg, Daniel Borgis +1

Most of the performances of electrochemical devices are governed by molecular processes taking place at the solution-electrode interfaces and molecular simulation are the main way…

cond-mat.mtrl-sci2019★ 22 cited

Improved electro-grafting of nitropyrene onto onion-like carbon via in situ electrochemical reduction and polymerization: Tailoring redox energy density of the supercapacitor positive electrode

Bihag Anothumakkool, Yuman Sayed-Ahmad-Baraza, Chris Ewels +5

Herein, we report a improved method for the physical grafting of 1-nitropyrene (Pyr-NO2) onto highly graphitized carbon onion. This is achieved through a lowering of the onset pote…