  Increasing the energy density in electric double layer capacitors (EDLCs),
also known as supercapacitors, remains an active area of research.
Specifically, there is a need to design and discover electrode and electrolyte
materials with enhanced electrochemical storage capacity. Here, using fully
atomistic molecular dynamics (MD) simulations, we investigate the performance
of hyper-branched 'poly(amidoamine) (PAMAM)' dendrimer as an electrolyte and an
electrode coating material in a graphene based supercapacitor. We investigate
the performance of the capacitor using two different modeling approaches,
namely the constant charge method (CCM) and the constant potential method
(CPM). These simulations facilitated the direct calculation of the charge
density, electrostatic potential and field, and hence the differential
capacitance. We found that the presence of the dendrimer in the electrodes and
the electrolyte increased the capacitance by about 65.25 % and 99.15 %
respectively, compared to the bare graphene electrode based aqueous EDLCs.
Further analysis revealed that these increases were due to the enhanced
electrostatic screening and reorganization of the double layer structure of the
dendrimer based electrolyte.
