Inside Cover: A Computational Investigation of the Catalytic Properties of Graphene Oxide: Exploring Mechanisms by using DFT Methods (ChemCatChem 11/2012)

Authors

  • Prof. Dr. Danil W. Boukhvalov,

    Corresponding author
    1. School of Computational Sciences, Korea Institute for Advanced Studies, Seoul, 130-722 (Korea), Fax: (+82) 2-958-3820
    • School of Computational Sciences, Korea Institute for Advanced Studies, Seoul, 130-722 (Korea), Fax: (+82) 2-958-3820
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  • Daniel R. Dreyer,

    1. Department of Chemistry and Biochemistry, The University of Texas at Austin, 1 University Station, A1590, Austin, TX 78712 (USA)
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  • Prof. Dr. Christopher W. Bielawski,

    1. Department of Chemistry and Biochemistry, The University of Texas at Austin, 1 University Station, A1590, Austin, TX 78712 (USA)
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  • Prof. Dr. Young-Woo Son

    1. School of Computational Sciences, Korea Institute for Advanced Studies, Seoul, 130-722 (Korea), Fax: (+82) 2-958-3820
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Abstract

original image

Graphene for Hard Graft The cover picture shows a scheme of the two-step oxidation process of 1-phenylethanol to acetophenone over a graphene oxide surface realized by migration of hydrogen atoms from molecule to catalyst with its partial reduction proposed from DFT calculations. In their full paper on p. 1844 ff., Danil W. Boukhvalov et al. report on their computational investigation of the catalytic properties of graphene oxide. They used the oxidation of benzyl alcohol to benzaldehyde as their model reaction.

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