Molecular theory of graphene oxide

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.

22 pages, 15 figures, 1 table

References in corpus (8)

• Control of graphene's properties by reversible hydrogenation
• Modeling of graphite oxide
• Structural and Electronic Properties of Oxidized Graphene
• The influences of long range Coulomb interaction on the electronic Mach-Zehnder interferometer of quantum Hall edge states
• Structure of graphene oxide: thermodynamics versus kinetics
• Oxidation States of Graphene: Insights from Computational Spectroscopy
• First Principles NMR Signatures of Graphene Oxide
• Step-Wise Computational Synthesis of Fullerene C60 derivatives. 1.Fluorinated Fullerenes C60F2k

Cited by in corpus (9)

• Amorphous carbons in view of multianalytical consideration: normal, expected, and new
• Stretching and breaking of chemical bonds, correlation of electrons, and radical properties of covalent species
• Oxidation of graphite surface: the role of water
• A Comprehensive Model of Nitrogen-Free Ordered Carbon Quantum Dots
• Molecular theory of graphene chemical modification
• Raman Scattering by sp${}^2$ Amorphous Carbons
• Dirac Material Graphene
• Reduced Graphene Oxide and Its Natural Counterpart Shungite Carbon
• Optical Spectra of Open-Shell and Closed-Shell Graphene-Based Molecules