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

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Li, Junfu, O'Shea, James N., 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, 53 (75). pp. 10414-10417. ISSN 1364-548X

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Official URL: http://pubs.rsc.org/en/Content/ArticleLanding/2017/CC/C7CC04344A#!divAbstract

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
RIS ID:	https://nottingham-repository.worktribe.com/output/877304
Schools/Departments:	University of Nottingham Ningbo China > Faculty of Science and Engineering > Department of Chemical and Environmental Engineering University of Nottingham, UK > Faculty of Engineering University of Nottingham, UK > Faculty of Science > School of Physics and Astronomy
Identification Number:	https://doi.org/10.1039/C7CC04344A
Depositing User:	Eprints, Support
Date Deposited:	18 Aug 2017 14:47
Last Modified:	04 May 2020 18:59
URI:	https://eprints.nottingham.ac.uk/id/eprint/44986

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