Formation and properties of graphane superstructures.
Hydrogenated graphene, also known as graphane, is a wide band gap semiconductor in its various possible conformations. Here we show with first-principles calculations that application of uniaxial pressure can give rise to stripes of the so-called washboard conformation between segments of the most stable chair geometry. Compressed washboard-chair superlattices follow distinct zigzag patterns with interchanging chair and washboard parts. Hybrid systems of this type could be employed in various applications, such as in the templated growth of nanosystems, or as parts of nanomechanical systems.
Department of Chemical Engineering, National Technical University of Athens, GR-15780 Athens, Greece. oziogos@mail.ntua.gr
Orestis G
OG
Ziogos
Leonidas
L
Tsetseris
D003198:Computer Simulation; D006108:Graphite / Q000737:chemistry*; D006859:Hydrogen / Q000737:chemistry*; D046911:Macromolecular Substances / Q000737:chemistry*; D008422:Materials Testing; D008958:Models, Molecular; D049329:Nanostructures / Q000737:chemistry*; D012666:Semiconductors; D013499:Surface Properties
D046911:Macromolecular Substances; D006108:Graphite; D006859:Hydrogen