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. 2016 Feb 18;6:21254. doi: 10.1038/srep21254

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Top and side views of graphene containing one defect (a). A single R6G molecule adsorbed on the graphene surface containing one defect, as simulated in a p(10 × 10) cell. The graphene defect is the local adsorption site (b). DOS of the mono-vacancy in graphene (c) and R6G molecule adsorption (d). Calculated HOMO and LUMO profiles for the R6G/Graphene systems (e,f). Only one molecule per unit cell is performed per calculation.