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

Li, Junfu; O'Shea, James N.; Hou, Xianghui; Chen, George Z.

Authors

Junfu Li

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JAMES O'SHEA J.OSHEA@NOTTINGHAM.AC.UK
Associate Professor and Reader in Physics

Xianghui Hou



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.

Citation

Li, J., O'Shea, J. N., Hou, X., & Chen, G. Z. (in press). Faradaic processes beyond Nernst’s law: density functional theory assisted modelling of partial electron delocalisation and pseudocapacitance in graphene oxides. Chemical Communications, 53(75), 10414-10417. https://doi.org/10.1039/C7CC04344A

Journal Article Type Article
Acceptance Date Aug 9, 2017
Online Publication Date Aug 9, 2017
Deposit Date Aug 18, 2017
Publicly Available Date Mar 28, 2024
Journal Chemical Communications
Print ISSN 1359-7345
Electronic ISSN 1364-548X
Publisher Royal Society of Chemistry
Peer Reviewed Peer Reviewed
Volume 53
Issue 75
Pages 10414-10417
DOI https://doi.org/10.1039/C7CC04344A
Public URL https://nottingham-repository.worktribe.com/output/877304
Publisher URL http://pubs.rsc.org/en/Content/ArticleLanding/2017/CC/C7CC04344A#!divAbstract
Additional Information : This document is Similarity Check deposited; : Supplementary Information; : James O’Shea (ResearcherID); : George Z. Chen (ORCID); : George Z. Chen (ResearcherID); : The Royal Society of Chemistry has an exclusive publication licence for this journal; OPEN ACCESS: This article is freely available. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence (CC BY 3.0); : Authors can choose between single-blind and double-blind peer review; : Received 5 June 2017; Accepted 9 August 2017; Accepted Manuscript published 9 August 2017; Advance Article published 7 September 2017; Version of Record published 19 September 2017

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