52 citations · 110 across the 4 of their papers we have counts for
4 papers
Performance of SCAN density functional for a set of ionic liquid ion pairs
Karl Karu, Maksin Mišin, Heigo Ers +2
Computational chemistry is a powerful tool for the discovery of novel materials. In particular, it is used to simulate ionic liquids in search of electrolytes for electrochemical a…
On the thickness of the double layer in ionic liquids
Anton Ruzanov, Meeri Lembinen, Pelle Jakovits +6
In this study, we examined the thickness of the electrical double layer (EDL) in ionic liquids using density functional theory (DFT) calculations and molecular dynamics (MD) simula…
DFT study of ionic liquids adsorption on circumcoronene shaped graphene
Anton Ruzanov, Meeri Lembinen, Heigo Ers +4
Carbon materials have a range of properties such as high electrical conductivity, high specific surface area, and mechanical flexibility are relevant for electrochemical applicatio…
Double layer in ionic liquids: capacitance vs temperature
Vladislav B Ivaništšev, Kathleen Kirchner, Maxim V. Fedorov
Temperature dependence of the capacitance of the electrical double layer (EDL) in concentrated electrolytes/ionic liquids has been under debates for decades. To rationalise the cap…