The effect of a mixture of an ionic liquid and organic solvent on oxygen reduction reaction kinetics

Abstract

Li-O2 batteries attract great attention due to their promising theoretical energy density. One of the main obstacles on the way to achieving high energy density and good cyclability is positive...

Mixture of an ionic liquid and organic solvent at graphene: interface structure and ORR mechanism

“…This agrees with the previously obtained results of the high stability of the Li + solvation shell in the DME solvent. 45,46 For O 2 , on the contrary, the adsorption minimum at a distance of about 3.5 Å is well pronounced; the adsorbed desolvated oxygen molecule has lower energy compared to the bulk of the solution, where the oxygen molecule is solvated. The adsorption barrier, in this case, is about 2.3 kT.…”

“…The average local density far from the surfaces was checked to be equal to the bulk density value obtained by modeling in the NPT ensemble earlier. 46 The visualization of the calculation cell is shown in Fig. 1.…”

“…43,44 Previously, we studied the effect of water additive to the organic electrolyte, 45 as well as the effect of the presence of Pyr 14 TFSI ionic liquid in DME-based electrolyte on the properties of solvation shells around the reactants of the oxygen reduction reaction. 46 However, in addition to bulk effects in solution, which are affected by the ionic liquid in the composition of the electrolyte, the kinetics of electrochemical processes can be significantly affected by the electrode-electrolyte interface, as has been repeatedly demonstrated. [47][48][49][50][51] In the current study, we consider the influence of the electrolyte composition on the structure of the electrode-electrolyte interface and, as a consequence, on the elementary heterogeneous processes of adsorption and desorption of ORR reactants.…”

“…To collect statistics, trajectories from 10 ns to 100 ns were used, depending on the composition of the electrolyte, the components of which have significantly different characteristic relaxation times, as shown previously. 46 3 Results…”

Effect of long range interactions on the reduction of divalent ions inN,O-chelating solvents

“…Focusing on the solvation shell is a widespread approach in research devoted to ion reduction. [8][9][10][11] It is widespread in works on Li-ions. High permittivity solvents (such as ethylene carbonate e = 95) are a popular choice for Li-ion systems.…”