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

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

Research output: Journal PublicationArticlepeer-review

21 Citations (Scopus)
7 Downloads (Pure)

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.
Original languageEnglish
Pages (from-to)10414-10417
JournalChemical Communications
Volume53
Issue number75
Early online date9 Aug 2017
DOIs
Publication statusPublished Online - 9 Aug 2017

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