61 citations · 61 across the 3 of their papers we have counts for
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Mesoscopic simulations of the in situ NMR spectra of porous carbon based supercapacitors: Electronic structure and adsorbent reorganisation effects
Anagha Sasikumar, Anouar Belhboub, Camille Bacon +5
In situ NMR spectroscopy is a powerful technique to investigate charge storage mechanisms in carbon-based supercapacitors thanks to its ability to distinguish ionic and molecular s…
On the effect of surface functional groups on the structural and dynamical properties of an ionic liquid confined in zeolite templated carbons studied through molecular simulations
El Hassane Lahrar, Irena Deroche, Camélia Matei Ghimbeu +2
Porous carbons are used in a wide range of applications, including electrochemical double layer capacitors for energy storage, in which electrolyte ion properties under confinement…
NMR studies of adsorption and diffusion in porous carbonaceous materials
Alexander C. Forse, Céline Merlet, Clare P. Grey +1
Porous carbonaceous materials have many important industrial applications including energy storage, water purification, and adsorption of volatile organic compounds. Most of their…
Local distortions and dynamics in hydrated Y-doped BaZrO
Amangeldi Torayev, Luke Sperrin, Maria A. Gomez +3
Y-doped BaZrO is a promising proton conductor for intermediate temperature solid oxide fuel cells. In this work, a combination of static DFT calculations and DFT based molecula…
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…
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…