Jump to main content
Jump to site search

Issue 9, 2016
Previous Article Next Article

A general view on the reactivity of the oxygen-functionalized graphene basal plane

Author affiliations

Abstract

In this contribution we inspect the adsorption of H, OH, Cl and Pt on oxidized graphene using DFT calculations. The introduction of epoxy and hydroxyl groups on the graphene basal plane significantly alters its chemisorption properties, which can be attributed to the deformation of the basal plane and the type and distribution of these groups. We show that a general scaling relation exists between the hydrogen binding energies and the binding energies of other investigated adsorbates, which allows for a simple probing of the reactivity of oxidized graphene with only one adsorbate. The electronic states of carbon atoms located within the 2 eV interval below the Fermi level are found to be responsible for the interaction of the basal plane with the chosen adsorbates. The number of electronic states situated in this energy interval is shown to correlate with hydrogen binding energies.

Graphical abstract: A general view on the reactivity of the oxygen-functionalized graphene basal plane

Back to tab navigation

Publication details

The article was received on 10 Dec 2015, accepted on 01 Feb 2016 and first published on 01 Feb 2016


Article type: Paper
DOI: 10.1039/C5CP07612A
Citation: Phys. Chem. Chem. Phys., 2016,18, 6580-6586
  • Open access: Creative Commons BY-NC license
  •   Request permissions

    A general view on the reactivity of the oxygen-functionalized graphene basal plane

    A. S. Dobrota, I. A. Pašti, S. V. Mentus and N. V. Skorodumova, Phys. Chem. Chem. Phys., 2016, 18, 6580
    DOI: 10.1039/C5CP07612A

    This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material and it is not used for commercial purposes.

    Reproduced material should be attributed as follows:

    • For reproduction of material from NJC:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
    • For reproduction of material from PCCP:
      [Original citation] - Published by the PCCP Owner Societies.
    • For reproduction of material from PPS:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
    • For reproduction of material from all other RSC journals:
      [Original citation] - Published by The Royal Society of Chemistry.

    Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.

Search articles by author

Spotlight

Advertisements