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Wright State University

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Computational Modeling Of Graphene Oxide Exfoliation And Lithium Storage Characteristics, Reza Mortezaee Jan 2013

Computational Modeling Of Graphene Oxide Exfoliation And Lithium Storage Characteristics, Reza Mortezaee

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Graphene oxide is a two dimensional material obtained by adsorption of oxygen or oxygen-containing groups on graphene. Stacked layers of graphene oxide constitute graphite oxide. These materials have various applications such as a source material for graphene production, transport support for electron microscopy, flexible organic photovoltaic cells and use in Li-ion batteries. Generation of exfoliated graphene oxide from a graphite oxide precursor is achieved relatively easily in solution as compared to graphene exfoliation. In this study we investigate the details of the graphene oxide exfoliation procedure in solution by calculating the Gibb's free energies and reaction rates. We consider two …