We propose a new form of partially hydrogenated graphene in which hydrogen atoms lay in para position to each other, forming a honeycomb-shaped superlattice. This arrangement is shown to be favored by progressive preferential sticking events, while its particular lattice symmetry guarantees the presence of a wide band gap. With the help of first principles DFT and many-body calculations we find this structure to be an insulator, similarly to graphane.
CITATION STYLE
Casolo, S., Tantardini, G. F., & Martinazzo, R. (2012). A new wide band gap form of hydrogenated graphene. In Carbon Nanostructures (Vol. 0, pp. 33–38). Springer International Publishing. https://doi.org/10.1007/978-3-642-20644-3_5
Mendeley helps you to discover research relevant for your work.