Effects of Crumpling Stage and Porosity of Graphene Electrode on the Performance of Electrochemical Supercapacitor.

The performance characteristics of supercapacitors composed of crumpled graphene electrodes and aqueous NaCl electrolytes are investigated through Molecular Dynamics (MD) simulations using a newly developed crumpled graphene-based supercapacitor model. Results suggest that the three-dimensional configuration of crumpled graphene boosts electrolyte-electrode interaction. This improved interaction, which includes a larger ion-accessible zone, increases the specific capacitance of the supercapacitor by roughly 400% (16.4 μF/cm) compared to planar graphene electrodes. Examining the effect of different stages of crumpling and the inclusion of pores on the electrode surface shows that the stages of crumpling substantially influence the supercapacitor performance. A smaller crumpling radius, meaning fully crumpled stage, improves the performance as increased crumpling leads to better packing efficiency, which aids in more ion separation. Furthermore, adding pores on the surface of crumpled graphene improves the ion accessibility by creating additional adsorption sites. An exceptional capacitance of 19.8 μF/cm is obtained for a porosity of 20%. However, the results suggest that the in-plane-porosity of the electrode needs to be optimized as there is a decline in specific capacitance after that point (20% porosity), indicating a suboptimal relationship between the charge distribution, specific surface area (SSA) and the porosity of the electrode.