Issue 32, 2013

Molecular theory of graphene oxide

Abstract

Applied to graphene oxide, the molecular theory of graphene considers its oxide as a final product in the succession of polyderivatives related to a series of oxidation reactions involving different oxidants. The graphene oxide structure is created in the course of a stepwise computational synthesis of polyoxides of the (5,5) nanographene molecule governed by an algorithm that takes into account the molecule’s natural radicalization due to the correlation of its odd electrons, the extremely strong influence of the structure on properties, and a sharp response of the molecule behavior on small actions of external factors. Taking these together, the theory has allowed for a clear, transparent and understandable explanation of the hot points of graphene oxide chemistry and suggesting reliable models of both chemically produced and chemically reduced graphene oxides.

Graphical abstract: Molecular theory of graphene oxide

Supplementary files

Article information

Article type
Paper
Submitted
04 Jan 2013
Accepted
21 May 2013
First published
15 Jul 2013

Phys. Chem. Chem. Phys., 2013,15, 13304-13322

Molecular theory of graphene oxide

E. F. Sheka and N. A. Popova, Phys. Chem. Chem. Phys., 2013, 15, 13304 DOI: 10.1039/C3CP00032J

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