Graphenenanoribbon electrical decoupling from metallic substrates

Abstract

We address the structural and electronic properties of graphene nanoribbons (GNRs) covalently immobilized on a metallic substrate by means of an organic layer. The GNR–organic layer and organic layer–metal interfaces can be thought of as constituents of a nanodevice and have been accurately studied using large-scale density functional theory calculations. Our results demonstrate the possibility of combining nanopatterned metal–organic layer substrates with selected GNRs to obtain well ordered and stable structures while preserving the GNR energy band gap, an essential requirement for any switching nanodevice.