Molecular theory of graphene oxide

TL;DR

This paper develops a molecular theory for graphene oxide based on its chemical origin, explaining its structure and properties through computational algorithms that consider radicalization and electron correlation.

Contribution

It introduces a novel molecular theory of graphene oxide that accounts for its chemical formation and electronic structure, providing models for its chemical and reduced forms.

Findings

Clear explanation of graphene oxide chemistry

Reliable models for chemically produced graphene oxide

Insight into structure-property relationships

Abstract

Applying to graphene oxides, molecular theory of graphene is based on the oxide molecular origin when it is considered as a final product in the succession of a graphene molecule polyderivatives related to a particular oxidation reaction. The graphene oxide structure is created in due course of calculations following the algorithms that take into account the graphene molecules natural radicalization, correlation of odd electrons, an extremely strong influence of structure on properties, a sharp response of the molecule behavior on small action of external factors. Taking together, the theory facilities has allowed for getting a clear, transparent and understandable explanation of hot points of the graphene oxide chemistry and suggesting reliable models of both chemically produced and chemically reduced graphene oxides.