Jump to main content
Jump to site search
PLANNED MAINTENANCE Close the message box

Scheduled maintenance upgrade on Thursday 4th of May 2017 from 8.00am to 9.00am (BST).

During this time our websites will be offline temporarily. If you have any questions please use the feedback button on this page. We apologise for any inconvenience this might cause and thank you for your patience.


Issue 1, 2014
Previous Article Next Article

Interactions of polymers with reduced graphene oxide: van der Waals binding energies of benzene on graphene with defects

Author affiliations

Abstract

The interaction of benzene molecules with various defects in graphene is studied using density functional theory enhanced by two different recent dispersion corrections. Both provide the same qualitative picture: the binding strength of benzene to the various defects is governed by steric hindrance. Our first principles calculations in combination with a simple model predict reduced stabilities of polymer–graphene nanocomposites made of reduced graphene oxides depending on the defect density. Above ∼15% defect coverage the interaction is lowered to roughly one third as compared to pristine graphene.

Graphical abstract: Interactions of polymers with reduced graphene oxide: van der Waals binding energies of benzene on graphene with defects

Back to tab navigation
Please wait while Download options loads

Supplementary files

Publication details

The article was received on 16 Sep 2013, accepted on 23 Oct 2013 and first published on 25 Oct 2013


Article type: Communication
DOI: 10.1039/C3CP53922A
Citation: Phys. Chem. Chem. Phys., 2014,16, 33-37
  •   Request permissions

    Interactions of polymers with reduced graphene oxide: van der Waals binding energies of benzene on graphene with defects

    M. Hassan, M. Walter and M. Moseler, Phys. Chem. Chem. Phys., 2014, 16, 33
    DOI: 10.1039/C3CP53922A

Search articles by author