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Issue 75, 2017
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Faradaic processes beyond Nernst's law: density functional theory assisted modelling of partial electron delocalisation and pseudocapacitance in graphene oxides

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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 heteroatom-modified graphene based electrode materials in supercapacitors.

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

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Publication details

The article was received on 05 Jun 2017, accepted on 09 Aug 2017 and first published on 09 Aug 2017


Article type: Communication
DOI: 10.1039/C7CC04344A
Citation: Chem. Commun., 2017,53, 10414-10417
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    Faradaic processes beyond Nernst's law: density functional theory assisted modelling of partial electron delocalisation and pseudocapacitance in graphene oxides

    J. Li, J. O’Shea, X. Hou and G. Z. Chen, Chem. Commun., 2017, 53, 10414
    DOI: 10.1039/C7CC04344A

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