Abstract
The density functional theory (DFT) is applied within the current piece of research for exploring the charge storage capacity, quantum or chemical capacitance (QC), electronic structures and the geometry of modified boron carbide (BC3)/graphene (Gr) heterostructure. Also, the impact of doping the Mn atom upon the capacitance behavior of BC3/Gr is explored. Based on the results, doping the Mn atom improved the QC of BC3/Gr. Moreover, doping the Mn atom was more effective than vacancy defect in enhancing the QC of BC3/Gr. The QC of the Mn-doped BC3/Gr was the highest (280.41 F/cm2), which demonstrates its potential application as an encouraging electrode material in supercapacitors (SCs). Based upon the DOS around the Fermi level, doping the Mn atom could be the reason for the increase in the QC. Finally, the results can provide useful insights into designing high-capacitance SCs.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
