activity
20182020
most citedIonic liquids under confinement: From systematic variations of the ion and pore sizes towards an understanding of structure and dynamics in complex porous carbons

61 citations · 61 across the 2 of their papers we have counts for

collaborators

4 papers

cond-mat.mtrl-sci202061 cited

Ionic liquids under confinement: From systematic variations of the ion and pore sizes towards an understanding of structure and dynamics in complex porous carbons

El Hassane Lahrar, Anouar Belhboub, Patrice Simon +1

We use molecular simulations of an ionic liquid in contact with a range of nanoporous carbons to investigate correlations between ion size, pore size, pore topology and properties…

physics.chem-ph2020

Efficient prediction of Nucleus Independent Chemical Shifts for polycyclic aromatic hydrocarbons

Dimitrios Kilymis, Albert P. Bartók, Chris J. Pickard +2

Nuclear Magnetic Resonance (NMR) is one of the most powerful experimental techniques to characterize the structure of molecules and confined liquids. Nevertheless, the complexity o…

cond-mat.mtrl-sci2019

On the development of an original mesoscopic model to predict the capacitive properties of carbon-carbon supercapacitors

Anouar Belhboub, El Hassane Lahrar, Patrice Simon +1

We report on the development of an original mesoscopic lattice model to predict structural, dynamical and capacitive properties of carbon-carbon supercapacitors. The model uses inp…

physics.chem-ph2018

Charge storage in nanoporous carbons: The molecular origin of supercapacitance

Céline Merlet, Clarisse Péan, Mathieu Salanne +1

Supercapacitors are electric devices able to deliver a large power, enabling their use e.g. for the recovery of breaking energy in cars. This is achieved by using two carbon electr…