21 citations · 38 across the 3 of their papers we have counts for
4 papers · 1 filter
Double layer in ionic liquids: capacitance vs. temperature from atomistic simulations
Heigo Ers, Iuliia V. Voroshylova, Piret Pikma +1
In this study, we investigated the graphene-ionic liquid (EMImBF4) interface to clarify the effects of ambient temperature and potential on the differential capacitance. We complem…
Systematic Refinement of Canongia Lopes-Padua Force Field for Pyrrolidinium-Based Ionic Liquids
Vitaly Chaban, Julia Voroshylova
Reliable force field (FF) is a central issue in successful prediction of physical chemical properties via computer simulations. Together with the original CL-P parameters, our forc…
The Atomistic Force Field for Pyridinium-Based Ionic Liquids: Reliable Transport Properties
Iuliia V. Voroshylova, Vitaly V. Chaban
Reliable force field (FF) is a central issue in successful prediction of physical chemical properties via computer simulations.
Acetonitrile Drastically Boosts Conductivity of Ionic Liquids
Vitaly V. Chaban, Iuliia V. Voroshylova, Oleg N. Kalugin +1
We apply a new methodology in the force field generation (PCCP 2011, 13, 7910) to study the binary mixtures of five imidazolium-based room-temperature ionic liquids (RTILs) with ac…