MODELLING OF GRAPHENE-NANOTUBE STRUCTURES: ARCHITECTURE, PROPERTIES AND APPLICATIONS

New prospects related to the preparation and characterization of individual carbon nanotubes and graphenes (graphite sheets) have been currently developed in carbon nanotechnology during last years. The special graphene feature plays an important role in the electronic structure of carbon nanotubes (CNT) and graphene nanoribbons (GNR) whose conductivity type depends on the coincidence of the allowed wave vector with the Dirac points of graphene. CNT and GNR possess unique mechanic properties. That is why we began to study new symbiosis structures formed by CNT’s and nanographenes/or GNR’s [1]. We consider the reaction covalent addition zigzag (Z) edge or armchair (A) edge of GNR’s to a single walled nanotube (SWNT) of different chirality. Between them more stable structures are Z-edged GNR covalent bonded (cb) with (n,n) SWNT’s and A-edged GNR covalent bonded with (n,0) SWNT’s. The covalent bonding change symmetry drastically both nanotubes and nanoribbons. Therefore, practically all cbGNR-SWNT structures are semiconductors. Each considered structure has “finger print ” Van Hove peculiarities of electron spectrum similar separate SWNT’s (or GNR’s), and so they can be identified by Raman studies. We have studied free standing molecular bonded (mb) GNR-SWNT structures by molecular dynami