Improvement quantum capacitance in supercapacitors using vacancy-defected BC3 monolayer

Abstract

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.