Abstract
The effects of substitutional doping by nitrogen and phosphorus of graphene with mono and di-vacancies are investigated on its structural and electronic properties. The consequences of subsequent doping with silicon, and atomic tuning of coordination environment of silicon are systematically analyzed. The appearance of localized states near the Fermi level of modified graphenes leads to significant enhancement of quantum capacitance and stored charges of modified graphenes. Thus, the synergistic effects of defects and dopants are expected to be useful for design considerations of graphene-based supercapacitor electrodes.
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