Resonance-theoretic calculation of the ground state spin density of the pπ-system of edge atoms on graphene nanodots and nanoribbons

By the resonance-theoretic method zigzag graphene nanoribbons are predicted to have an antiferromagnetic ground state with a Mulliken spin density of 0.33 on the edge atoms and the armchair graphene nanoribbons are predicted to have a nonmagnetic ground state. Similar calculations predict that sawtooth graphene nanoribbons have a weakly antiferromagnetic ground state with edge atoms having a Mulliken spin density of 0.16 on the edge atoms.