• 文献标题:   Quantum Capacitance Estimations of Pyrrolic-Rich Graphene for Supercapacitor Electrodes
  • 文献类型:   Article
  • 作  者:   SANTHIBHUSHAN B, KHAN MS, BOHAT VK, SRIVASTAVA A
  • 作者关键词:   supercapacitor, graphene, quantum capacitance, plane wave dft, defect
  • 出版物名称:   IEEE TRANSACTIONS ON NANOTECHNOLOGY
  • ISSN:   1536-125X EI 1941-0085
  • 通讯作者地址:   Atal Bihari Vajpayee Indian Inst Informat Technol
  • 被引频次:   3
  • DOI:   10.1109/TNANO.2017.2786715
  • 出版年:   2018

▎ 摘  要

Despite having remarkable surface area (2630 m(2)/g for graphene), the graphene-based supercapacitors are still unable to attain the necessary energy density due to poor accessibility of surface area and low quantum capacitance. In this paper, we demonstrate an effective way to improve the quantum capacitance of graphene through plane wave density functional theory calculations. We used pyrrolic-type nitrogen doping to demonstrate extremely high quantum capacitances for graphene. An impressive 486.32 mu F/cm(2) quantum capacitance has been observed at a pyrrolic concentration of 6.38%. Our calculations suggest that the quantum capacitance of graphene increases with the pyrrolic concentration. We have also investigated the impact of combinational pyrrolic defects on the quantum capacitance of graphene. We believe that the pyrrolic defects studied in this paper also help in improving the graphene surface area accessibility by the electrolytic ions.