Molecular dynamics (MD) simulations of supercapacitors with graphene oxide electrodes in the parallel plate configuration are performed. The prototypical ionic liquid 1-ethyl-3-methylimidazolium tetrafluoroborate and its 1.3 M solution in acetonitrile are considered as electrolytes. Hydroxyl and epoxide functionalities are introduced on the two parallel graphene electrodes, and the densities of these functionalities on the electrode surfaces are varied to investigate the entire oxidation range. The liquid structure of the system is analyzed and the device capacitance is calculated. The results are compared with available data from measurements.

Graphene oxide supercapacitors with an ionic liquid electrolyte: A computer simulation study

248th National Meeting (2014)

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