Potential barrier and band structure of closed edge graphene

Abstract

The atomic structure, electron distribution, work function, and band structure of closed edge graphene are investigated with density functional theory. Field emission performance of closed edge graphene is compared with that of open edge graphene. We provide a possible explanation for the field emission microscopy image change after high emission current, which appeals to the experimentalists for further investigation. V C 2013 AIP Publishing LLC. [http://dx.

Effects of Edge Oxidation on the Structural, Electronic, and Magnetic Properties of Zigzag Boron Nitride Nanoribbons

“…The recent experimental realization of atomically thin, long, and narrow strips of graphene, often referred to as graphene nanoribbons (GNRs), − has triggered extensive experimental and theoretical investigations of their physical properties. Due to their unique structural, mechanical, electronic, and magnetic characteristics, GNRs have been identified as promising candidates for numerous potential applications including spintronic devices, gas sensors, and nanocomposite materials. − The quasi-one-dimensional nature of GNRs results in the presence of reactive edges that may dominate their electronic and magnetic behavior. , Specifically, when grown along the zigzag axis the resulting zigzag graphene nanoribbons (ZGNRs) present pronounced electronic edge states − making them prone to covalent attachment of chemical groups that can significantly alter their electronic properties. ,− Within the simplest edge passivation scheme, hydrogen terminated ZGNRs were shown to exhibit a spin polarized semiconducting ground state with bandgaps that vary with the ribbon width . This ground state is characterized by energetically degenerate α and β molecular spin orbitals that are spatially related via inversion symmetry.…”