The role of sulfate in the chemical synthesis of graphene oxide

The role of sulfate in the chemical synthesis of graphene oxide

In this work we carried out both a theoretical and experimental study of the interactions between the sulfate species with graphene sheets, in order to understand the possible formation mechanisms behind the graphene oxide (GO) synthesis. As the results, it is shown a series of theoretical structure...

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Bibliographic Details
Published in:Materials chemistry and physics Vol. 215; pp. 203 - 210
Main Authors: de Mendonça, João Paulo A., Lima, Alessandro H., Roldao, Juan C., Martins, Jefferson da S., Junqueira, Georgia M.A., Quirino, Welber G., Sato, Fernando
Format: Journal Article
Language:English
Published: Lausanne Elsevier B.V 15-08-2018
Elsevier BV
Subjects:
Chemical synthesis
Chemical tests
Data acquisition
DFT
Epoxy resins
Graphene
Graphene oxide
Manganese compounds
Metals
Organic chemistry
Oxidation
Synthesis
Graphene oxide
Synthesis
DFT
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Summary:In this work we carried out both a theoretical and experimental study of the interactions between the sulfate species with graphene sheets, in order to understand the possible formation mechanisms behind the graphene oxide (GO) synthesis. As the results, it is shown a series of theoretical structures which were found in our conformational searches via quantum methods, such as the well-known epoxy group and the cyclic sulfate bridges, a new species that, up until now, was not reported for this kind of system. These results were also compared with the data acquired from a sequence of chemical tests and spectroscopic analyses of a GO prepared using the modified Hummers method. Finally, it was possible to give some answers to open questions that can guide future experiments in the GO synthesis. [Display omitted] •Interacting with graphene, ion sulfate can generate epoxy group or cyclic sulfate.•A reaction mechanism was proposed for graphite exfoliation and oxidization.•Oxigenated groups were formed in two different stages of the synthesis process.•Yellow particles in final steps of the synthesis were associated to MnO derivatives.•The full synthesis process was described by spectroscopy and qualitative analysis.
ISSN:0254-0584
1879-3312
DOI:10.1016/j.matchemphys.2018.05.022