Graphene
Oxide Supercapacitors: A Computer Simulation Study
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Abstract
Supercapacitors
with graphene oxide (GO) electrodes in a parallel plate configuration
are studied with molecular dynamics (MD) simulations. The full range
of electrode oxidation from 0% (pure graphene) to 100% (fully oxidized
GO) is investigated by decorating the graphene surface with hydroxyl
groups. The ionic liquid 1-ethyl-3-methylimidazolium tetrafluoroborate
(EMI<sup>+</sup>BF<sub>4</sub><sup>−</sup>) is examined as
an electrolyte. Capacitance tends to decrease with increasing electrode
oxidation, in agreement with several recent measurements. This trend
is attributed to the decreasing reorganization ability of ions near
the electrode and a widening gap in the double layer structures as
the density of hydroxyl groups on the electrode surface increases