Graphene nanomeshes: onset of conduction band gaps
K. Lopata, R. Thorpe, S. Pistinner, X. Duan, and D. Neuhauser
Chem. Phys. Lett. 498, 334-337 (2010)
Hückel simulations of large finite graphene nanomeshes with lithographically induced holes show sizable band gaps in the conduction while the optical absorption has generally the same semi-metal character as pure graphene. There is a strong dependence of the band gap on the angle between the graphene axis and the periodic hole axis. Simple modification of on-site energies shows that substituents on the edges of the holes could also have a significant effect. These simulations show that graphene nanomeshes, which have been recently fabricated, are potentially useful tunable materials for electronic applications.