A computational study of the interfacial structure and capacitance of graphene in BMIMPF6 ionic liquid (original) (raw)

This research investigates the interfacial structure and capacitance of graphene in the ionic liquid BMIMPF6 using molecular dynamics and density functional theory calculations. Key focuses include exploring how different surface charge densities affect the microstructure of the ionic liquid near graphene and assessing the contributions of electrical double layer (EDL) capacitance and quantum capacitance to the overall interfacial capacitance. Findings indicate that the behavior of ionic liquids near electrified surfaces can significantly influence capacitance characteristics, which have important implications for the design and optimization of electrochemical devices like supercapacitors.