ABSTRACT

The folded honeycomb lattices may be more complex and intriguing, since they are expected to dramatically modify the essential properties by tuning the structures. The folded graphene nanoribbons, with the hydrogen passivation, have the unique geometric structures composed of two close open edges, a bilayer-like flat region, and a curved surface. The folded graphene nanoribbons, with the achiral boundaries passivated by the hydrogenated atoms, are chosen for a model investigation. The folding energy, which is required to form a folded graphene nanoribbon from a flat one, is the total energy difference of the former and the latter. The main features of energy bands strongly depend on the quantum confinements, the edge structure, the surface curvature, the stacking configuration and the magnetic configuration. The magnetism and curvature effect will greatly enrich the electronic properties of the folded zigzag nanoribbons, compared with those of the armchair systems or the planar zigzag ones.