Faradaic processes beyond Nernst’s law: density functional theory assisted modelling of partial electron delocalisation and pseudocapacitance in graphene oxides

Li, Junfu and O'Shea, James N. and Hou, Xianghui and Chen, George Z. (2017) Faradaic processes beyond Nernst’s law: density functional theory assisted modelling of partial electron delocalisation and pseudocapacitance in graphene oxides. Chemical Communications . ISSN 1364-548X

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Abstract

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 heteroatommodified graphene based electrode materials in supercapacitors.

Item Type: Article
Schools/Departments: University of Nottingham, UK > Faculty of Engineering
University of Nottingham, UK > Faculty of Science > School of Physics and Astronomy
Identification Number: 10.1039/C7CC04344A
Depositing User: Eprints, Support
Date Deposited: 18 Aug 2017 14:47
Last Modified: 18 Aug 2017 18:39
URI: http://eprints.nottingham.ac.uk/id/eprint/44986

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