6th Baltic Electrochemistry Conference

The 6th Baltic Electrochemistry Conference held in Helsinki, Finland during a period of 14-17 June and collects researchers dedicated to the science and technology of electrochemistry around the Baltic. This conference provides a forum for individuals from research organizations and companies to learn about the latest developments in this rapidly evolving field, to discuss with renowned experts and to build their networks in an informal and friendly atmosphere. The conference covers all forms of electrochemistry, including, but not limited to experimental and theoretical aspects of charge transfer at electrochemical interfaces, electrochemical materials science, and electrocatalysis. In addition, emergent technologies like electrodeposition of nanomaterials and functionalized electrodes, and electrochemical nanostructuring feature along with related poster presentation sessions.

I am taking part in these conference with the poster presentation “DFT-based modeling of associates of ionic liquid ions” where discuss the ability of prediction properties of novel type electrolytes by applying the results of the DFT calculations of simpler ionic associates. For this reason, the effect of the self-interaction and dispersion corrections on the results of DFT calculations for 48 ionic associates has been investigated [1]. The magnitude of the corrections strongly depends on the anion choice and especially in the case of halide anions. It is very important to pay particular attention to that fact because ionic liquid mixture with the addition of halides has attracted attention as a possible electrolyte for supercapacitors [2].

[1] I. Lage-Estebanez, A. Ruzanov, J. M. García de la Vega, M. V. Fedorov and V. B. Ivaništšev, Self-interaction error in DFT-based modelling of ionic liquids, Phys. Chem. Chem. Phys., 18 (2016) 2175-2182.

[2] T. Tooming, T. Thomberg, L. Siinor, K. Tõnurist, A. Jänes, E. Lust, A type high capacitance supercapacitor based on mixed room temperature ionic liquids containing specifically adsorbed iodide anions, J. Electrochem.