Quantum Capacitance Computation for Identification of Supercapacitor Electrodes

Quantum capacitance – an inherent property of nanoscale materials, plays a crucial role in defining the performance of nanoscale devices. This chapter distinguishes, for the very first time, the quantum capacitance computation method for supercapacitor electrodes and transistor channels. While quantum capacitance estimation via experimental methods remains a tedious task, it can be readily extracted using a combination of density functional theory (DFT) and MATLAB programming. Our computational quantum capacitance for graphene is found to be in excellent agreement with the experimental counterpart. Moreover, the computational modelling of various graphene-based supercapacitor electrodes using the quantum capacitance method and its correlation with previously reported experimental data for graphene and reduced graphene oxide derived from tire and plastic waste is discussed.