Crumpling Damaged Graphene.

ABSTRACT: Through molecular mechanics we find that non-covalent interactions modify the fractality of crumpled damaged graphene. Pristine graphene membranes are damaged by adding random vacancies and carbon-hydrogen bonds. Crumpled membranes exhibit a fractal dimension of 2.71 ± 0.02 when all interactions between carbon atoms are considered, and 2.30 ± 0.05 when non-covalent interactions are suppressed. The transition between these two values, obtained by switching on/off the non-covalent interactions of equilibrium configurations, is shown to be reversible and independent on thermalisation. In order to explain this transition, we propose a theoretical model that is compatible with our numerical findings. Finally, we also compare damaged graphene membranes with other crumpled structures, as for instance polymerised membranes and paper sheets, that share similar scaling properties.

SUBMITTER: Giordanelli I 

PROVIDER: S-EPMC4865728 | biostudies-literature | 2016 May

REPOSITORIES: biostudies-literature