▎ 摘　　要

In this work, behavior of a supercapacitor has been simulated by confining the [EMIM][BF4], [BMIM][BF4], and [EMIM][PF6] ionic liquids between two parallel graphene oxide (GO) surfaces. We have considered the different effects (such as the degree of oxidation, the pore size effect, and the effects of the kind of cation and anion) on the thermodynamics, dynamic, structural, and capacity of the supercapacitor. Our results showed that the interactions between the cations and anions are dominant at lower percent oxidation but, the interactions between the ions and the GO surfaces are dominant at higher percent oxidation. Also, there exists a competition between the columbic forces and the steric hindrances. The steric hindrances dominate at smaller percent oxidation but, the columbic forces dominate at higher degree of oxidation. The results showed that the self-diffusion increases by increasing the percent oxidation. The self-diffusion values also increase by increasing the pore size from 20 to 64 angstrom. The investigations indicated that the cell capacity decreases by increasing the oxidation degree of the electrodes. The cell capacity also increases by increasing the pore size. Also, the cell capacity using [BMIM][BE4] is more than the [EMIM][BF4] and the cell capacity using [EMIM][BF4] is more than the [EMIM][PF6]. (C) 2018 Elsevier B.V. All rights reserved.