21 citations · 38 across the 3 of their papers we have counts for
5 papers
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…
Ammonium-, Phosphonium- and Sulfonium-Based 2-Cyanopyrrolidines for Carbon Dioxide Fixation
Vitaly V. Chaban, Nadezhda A. Andreeva, Iuliia V. Voroshylova
The development of carbon dioxide (CO2) scavengers is an acute problem nowadays because of the global warming problem. Many groups around the globe intensively develop new greenhou…
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…