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Ideal Strength of Doped Graphene
S. J. Woo, Young-Woo Son
While the mechanical distortions change the electronic properties of graphene significantly, the effects of electronic manipulation on its mechanical properties have not been known…
A Computational Investigation of the Catalytic Properties of Graphene Oxide: Exploring Mechanisms Using DFT Methods
Danil W. Boukhvalov, Daniel R. Dreyer, Christopher W. Bielawski +1
Here we describe a computational study undertaken in an effort to elucidate the reaction mechanisms behind the experimentally observed oxidations and hydrations catalyzed by graphe…
Covalent functionalization of strained graphene
Danil W. Boukhvalov, Young-Woo Son
Enhancement of the chemical activity of graphene is evidenced by first-principles modelling of chemisorption of the hydrogen, fluorine, oxygen and hydroxyl groups on strained graph…