Silicene
with a buckled atomic layer has double surfaces with a
high surface/volume ratio similar to nanocarbon materials and is expected
to have potential applications for supercapacitors. With first-principles
calculations, it is found that introduction of vacancy defects with
the doping in silicene can enhance the quantum capacitance of silicene-based
electrodes. The enhancement of quantum capacitance is attributed to
the presence of localized states around the Fermi level. Furthermore,
the quantum capacitance is observed to increase with the increase
of the defect’s concentration. It is also observed that the
localized states around the Fermi level lead to spin polarization
in the cases of B-doping and S-doping near the vacancies.