ABSTRACT

The rich and unique essential properties arise from the various geometries, adatom dopings and spin arrangements. The calculated results are compared with those from the previous theoretical predictions. Part of them have been confirmed by the experimental measurements. Specially, a theoretical framework is developed by means of the first- principles calculations. Graphene nanoribbons exhibit the rich essential properties, being very sensitive to the edge structure, width and hydrogen termination. The central C-C bond lengths are close to those of monolayer graphene, while the boundary ones become shorter in the presence and absence of edge dangling bonds, especially for the former case. The folded graphene nanoribbons, with the flat and curved structures, exhibits the rich geometric, electronic and magnetic properties, mainly owing to the combined confinement, edge, stacking and curvature effects.