• 文献标题:   Boron-Decorated Pillared Graphene as the Basic Element for Supercapacitors: An Ab Initio Study
  • 文献类型:   Article
  • 作  者:   KOLOSOV DA, GLUKHOVA OE
  • 作者关键词:   pillared graphene, boron, specific quantum capacitance
  • 出版物名称:   APPLIED SCIENCESBASEL
  • ISSN:  
  • 通讯作者地址:  
  • 被引频次:   5
  • DOI:   10.3390/app11083496
  • 出版年:   2021

▎ 摘  要

In this work, using the first-principle density functional theory (DFT) method, we study the properties of a new material based on pillared graphene and the icosahedral clusters of boron B-12 as a supercapacitor electrode material. The new composite material demonstrates a high specific quantum capacitance, specific charge density, and a negative value of heat of formation, which indicates its efficiency. It is shown that the density of electronic states increases during the addition of clusters, which predictably leads to an increase in the electrode conductivity. We predict that the use of a composite based on pillared graphene and boron will increase the efficiency of existing supercapacitors.