Quantum Capacitance Effect on silicene sheet doped with N, B and F atoms: A DFT study

Supercapacitors are electrical energy storage devices. silicene-based materials are promising materials for use in supercapacitor electrodes. Silicene-based electrodes are superior; on the contrary, a major constraint that prevents their widespread and industrial applications is the limited capacity of their own. It has shown the limiting factor in the total capacity of silicene -based electrodes is the quantum capacity of these materials. In this study, we tried to evaluate the efficiency of silicene derivatives for use in superconductors using DFT calculations, and suggest solutions to improve existing superconductors or to design new superconductors. The efficiency of the electrode consisting of defected silicene with doping B, N, and F with structural defects of double-vacancy studied. The results showed the use of combined configurations of defect and doping in a given specific range has more capacities than the pristine silicene. Briefly, we can design and produce asymmetric and high-capacity supercapacitors with a clever selection of combinations of structural defects and doping.