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Issue 32, 2013
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Molecular theory of graphene oxide

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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

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The article was received on 04 jan. 2013, accepted on 21 maí 2013 and first published on 15 júl. 2013

Article type: Paper
DOI: 10.1039/C3CP00032J
Phys. Chem. Chem. Phys., 2013,15, 13304-13322

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    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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