output
20142026
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
collaborating institutions

41 papers

cond-mat.mtrl-sci2026

Bottlenecks in Hamiltonian-Adaptive Resolution Simulation Method for Modeling Interfaces

Hari Haran Sudhakar, Alessandra Serva, Rocio Semino

The Hamiltonian-Adaptive Resolution Simulation (H-AdResS) method allows to combine atomistic and particle-based coarse-grained models in a single simulation box, which makes it ver…

cond-mat.soft2026

Accelerating charging dynamics of electric double-layer capacitors

Megh Dutta, Ivan Palaia, Emmanuel Trizac +1

Electric double-layer capacitors (EDLCs), consisting of an ionic fluid between two metallic electrodes, are electrochemical energy storage devices complementary to batteries, allow…

cond-mat.mtrl-sci2026

Extending Hamiltonian-Adaptive Resolution Simulation to Interfaces: An Updated LAMMPS Implementation and Application to Porous Solids

Hari Haran Sudhakar, Alessandra Serva, Rocio Semino

Many natural phenomena involve processes that happen simultaneously at different characteristic length- and timescales. Typically, the region where the process of interest happens…

cond-mat.mtrl-sci2026

Spatially inhomogeneous delithiation in LiNiO2 positive electrode: the effect of X-rays dose

Francesco La Porta, Laurent Barthe, Anthony Beauvois +4

Operando synchrotron X-ray techniques have become essential tools for investigating rechargeable batteries as they provide real-time insights into electrochemical processes. Howeve…

physics.chem-ph2025★ 1 cited

Brownian dynamics simulations of electric double-layer capacitors with tunable metallicity

Paul Desmarchelier, Alexandre P. dos Santos, Yan Levin +1

We introduce an efficient description of electrodes, characterized by their Thomas-Fermi screening length lTF inside the metal, for Brownian dynamics (BD) simulations of capacitors…

cond-mat.mtrl-sci2025

Nanoscale Mapping of Transition Metal Ordering in Individual LiNi0.5Mn1.5O4 Particles Using 4D-STEM ACOM Technique

Gozde Oney, Fayçal Adrar, Junhao Cao +8

The electrochemical performance of the spinel LiNi0.5Mn1.5O4, a high-voltage positive electrode material for Li-ion batteries, is influenced by the transition metal arrangement in…