• 文献标题:   Faradaic processes beyond Nernst's law: density functional theory assisted modelling of partial electron delocalisation and pseudocapacitance in graphene oxides
  • 文献类型:   Article
  • 作  者:   LI JF, O SHEA J, HOU XH, CHEN GZ
  • 作者关键词:  
  • 出版物名称:   CHEMICAL COMMUNICATIONS
  • ISSN:   1359-7345 EI 1364-548X
  • 通讯作者地址:   Univ Nottingham
  • 被引频次:   9
  • DOI:   10.1039/c7cc04344a
  • 出版年:   2017

▎ 摘  要

The study of electron delocalisation in oxygen atom segregated zones in graphene, aided by the first-principles density functional theory, has revealed extra energy bands of >= 2 eV wide around the Fermi level, predicting Faradaic charge storage occurring in a wide range of potentials, which disagrees with Nernst's law but accounts well for the so called pseudocapacitance of heteroatom-modified graphene based electrode materials in supercapacitors.