Molecular Insights Into the Physics of Poly(amidoamine)-Dendrimer-Based Supercapacitors

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 electrolyte materials with enhanced electrochemical storage capacity. Here, using fully atomistic molecular dynamics (MD) simulations, we investigate performance hyper-branched ``poly(amidoamine) (PAMAM)'' dendrimer coating material graphene-based supercapacitor. We capacitor two different modeling approaches, namely constant charge method (CCM) potential (CPM). These simulations facilitated direct calculation density, electrostatic potential, field, hence differential capacitance. found that presence electrodes increased capacitance by about $65.25\mathrm{%}$ $99.15\mathrm{%}$, respectively, compared bare graphene electrode-based aqueous EDLCs. Further analysis revealed these increases were due screening reorganization structure dendrimer-based electrolyte.