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/ |
| _version_ | 1848797044028735488 |
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| author | Li, Junfu O'Shea, James N. Hou, Xianghui Chen, George Z. |
| author_facet | Li, Junfu O'Shea, James N. Hou, Xianghui Chen, George Z. |
| author_sort | Li, Junfu |
| building | Nottingham Research Data Repository |
| collection | Online Access |
| description | 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. |
| first_indexed | 2025-11-14T19:57:37Z |
| format | Article |
| id | nottingham-44986 |
| institution | University of Nottingham Malaysia Campus |
| institution_category | Local University |
| last_indexed | 2025-11-14T19:57:37Z |
| publishDate | 2017 |
| publisher | Royal Society of Chemistry |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | nottingham-449862020-05-04T18:59:57Z https://eprints.nottingham.ac.uk/44986/ 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. 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. Royal Society of Chemistry 2017-08-09 Article PeerReviewed 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 http://pubs.rsc.org/en/Content/ArticleLanding/2017/CC/C7CC04344A#!divAbstract doi:10.1039/C7CC04344A doi:10.1039/C7CC04344A |
| spellingShingle | Li, Junfu O'Shea, James N. Hou, Xianghui Chen, George Z. Faradaic processes beyond Nernst’s law: density functional theory assisted modelling of partial electron delocalisation and pseudocapacitance in graphene oxides |
| title | Faradaic processes beyond Nernst’s law: density functional
theory assisted modelling of partial electron delocalisation and pseudocapacitance in graphene oxides |
| title_full | Faradaic processes beyond Nernst’s law: density functional
theory assisted modelling of partial electron delocalisation and pseudocapacitance in graphene oxides |
| title_fullStr | Faradaic processes beyond Nernst’s law: density functional
theory assisted modelling of partial electron delocalisation and pseudocapacitance in graphene oxides |
| title_full_unstemmed | Faradaic processes beyond Nernst’s law: density functional
theory assisted modelling of partial electron delocalisation and pseudocapacitance in graphene oxides |
| title_short | Faradaic processes beyond Nernst’s law: density functional
theory assisted modelling of partial electron delocalisation and pseudocapacitance in graphene oxides |
| title_sort | faradaic processes beyond nernst’s law: density functional
theory assisted modelling of partial electron delocalisation and pseudocapacitance in graphene oxides |
| url | https://eprints.nottingham.ac.uk/44986/ https://eprints.nottingham.ac.uk/44986/ https://eprints.nottingham.ac.uk/44986/ |