93 citations · 293 across the 6 of their papers we have counts for
6 papers
Ion-ion correlations across and between electrified graphene layers
Trinidad Mendez-Morales, Mario Burbano, Matthieu Haefele +2
When an ionic liquid adsorbs onto a porous electrode, its ionic arrangement is deeply modified due to a screening of the Coulombic interactions by the metallic surface and by the c…
Confinement Effects on an Electron Transfer Reaction in Nanoporous Carbon Electrodes
Zhujie Li, Guillaume Jeanmairet, Trinidad Méndez-Morales +3
Nanoconfinement generally leads to drastic effect on the physical and chemical properties of ionic liquids. Here we investigate how the electrochemical reactivity in such media may…
Sparse Cyclic Excitations Explain the Low Ionic Conductivity of Stoichiometric LiLaZrO
Mario Burbano, Dany Carlier, Florent Boucher +2
We have performed long time-scale molecular dynamics simulations of the cubic and tetragonal phases of the solid lithium-ion--electrolyte LiLaZrO (LLZO), u…
Ceria co-doping: Synergistic or average effect?
Mario Burbano, Sian Nadin, Dario Marrocchelli +2
Ceria (CeO) co-doping has been suggested as a means to achieve ionic conductivities that are significantly higher than those in singly-doped systems. Rekindled interest in th…
Strain effects on the ionic conductivity of Y-doped ceria: A simulation study
Mario Burbano, Dario Marrocchelli, Graeme W Watson
In this paper we report a computational study of the effects of strain on the conductivity of Y-doped ceria (YDC). This material was chosen as it is of technological interest in th…
A Dipole Polarizable Potential for Reduced and Doped CeO from First-Principles
Mario Burbano, Dario Marrocchelli, Bilge Yildiz +5
In this paper we present the parameterization of a new interionic potential for stoichiometric, reduced and doped CeO. We use a dipole-polarizable potential (DIPPIM) and optimi…