Compositions of the simulated ionic liquid/carbonate mixtures are shown in Table . All systems contained 86 LiTFSI ion pairs inside a cubic simulation box with a size of 51.8 Å, corresponding to a lithium concentration of 1 molL -1 . Initial volume of the cubic box: 51.8 × 51.8 × 51.8 Å 3 is chosen such that the density of the system is closer to the reported density of [EMI][TFSI] (1.517 g/cm 3 ). Periodic boundary conditions were applied on all three sides of the cubic simulation box to represent the bulk solution. The system was simulated at temperature, T = 298 K and pressure, P = 1 atm. We used the velocity Verlet integrator with a timestep of 0.000 fs to integrate the equations of motion. The Nose-Hoover thermostat and barostat were used to keep the temperature and pressure constant. We used PACKMOL to create initial configurations. The Ewald method was used for treating electrostatic interactions.