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.

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Showing 2023Show all

5 papers · 1 filter

physics.chem-ph2023★ 8 cited

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

Jeongmi Kim, Luc Belloni, Benjamin Rotenberg

Molecular simulations in an open environment, involving ion exchange, are necessary to study various systems, from biosystems to confined electrolytes. However, grand-canonical sim…

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…

cond-mat.mtrl-sci2023★ 6 cited

Improved ACOM pattern matching in 4D STEM through adaptive sub pixel peak detection and image reconstruction

Nicolas Folastre, Junhao Cao, Gozde Oney +7

The technique known as 4D-STEM has recently emerged as a powerful tool for the local characterization of crystalline structures in materials, such as cathode materials for Li-ion b…

cond-mat.soft2023★ 5 cited

Poisson-Nernst-Planck charging dynamics of an electric double layer capacitor: symmetric and asymmetric binary electrolytes

Ivan Palaia, Adelchi J. Asta, Megh Dutta +3

A parallel plate capacitor containing an electrolytic solution is the simplest model of a supercapacitor, or electric double layer capacitor. Using both analytical and numerical te…

physics.chem-ph2023★ 5 cited

Charging dynamics of electric double layer nanocapacitors in mean-field

Ivan Palaia, Adelchi J. Asta, Megh Dutta +3

An electric double layer capacitor (EDLC) stores energy by modulating the spatial distribution of ions in the electrolytic solution that it contains. We determine the mean-field ti…