In present research, we aimed to assess effectiveness of employing defected BC3 monolayer in supercapacitors as an electrode through DFT computations. Our focus was on single and double-vacancy BC3 monolayer. We studied stored charge diagrams, integrated quantum capacitance (CQ), and density of state (DOS) for both pristine and vacancy-modified defected BC3 monolayer structures. According to findings, applying vacancy-modified defected structures between −0.80 and 0.80 V leads to greater CQ value in comparison to pristine BC3 monolayer. Single and double vacancies may be employed as positive and negative electrodes, and are considered as a semiconductor. Computations reveal that stored charge in vacancy-modified defected structures is more than pristine BC3 monolayer between 0 and 0.8 V. Moreover, DV-modified defected structure stores more charge than both SV structures and BC3 monolayer. Our findings suggest that DV BC3 monolayer shows potential as a material for high-performance supercapacitors.
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