Controlling armchair and zigzag edges in oxidative cutting of graphene
Sk, Mahasin Alam
Lim, Kok Hwa
Date of Issue2016
School of Chemical and Biomedical Engineering
Density-functional theory (DFT) calculations reveal that the formation of an armchair epoxy chain on a graphene sheet is energetically favorable when oxidation occurred on both sides of the graphene sheet. However, the formation of a zigzag epoxy chain is favorable when oxidation occurred on the same side of the graphene sheet. In addition, the zigzag epoxy chain formation on the graphene sheet becomes energetically more favorable when external strain is applied on graphene. Our theoretical calculations show that the edge (armchair or zigzag) of graphene nanoribbons (GNRs) and graphene quantum dots (GQDs) can be synthetically controlled by (a) experimental conditions which allow the oxidation of graphene to occur on either one or both sides of the graphene sheet and (b) engineering the strain on the graphene sheet.
Graphene quantum dots
Journal of Materials Chemistry C
© 2016 The Royal Society of Chemistry. This is the author created version of a work that has been peer reviewed and accepted for publication by Journal of Materials Chemistry C, The Royal Society of Chemistry. It incorporates referee’s comments but changes resulting from the publishing process, such as copyediting, structural formatting, may not be reflected in this document. The published version is available at: [http://dx.doi.org/10.1039/C6TC01947A].