Faradaic processes beyond Nernst’s law: density functional theory assisted modelling of partial electron delocalisation and pseudocapacitance in graphene oxides
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 disagree...
| Main Authors: | , , , |
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| Format: | Article |
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Royal Society of Chemistry
2017
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| Online Access: | https://eprints.nottingham.ac.uk/44986/ |
| Summary: | 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. |
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