The low-frequency electronic excitations in double-walled armchair carbon nanotubes are studied within the random-phase approximation. The intertube atomic overlaps significantly affect the low-energy bands and thus enrich the low-frequency single-particle excitations and collective excitations. They induce more plasmon modes, reduce the plasmon strength, and change acoustic plasmons into optic...

TheWiener polarity indexWp(G) of a graphG of order n is the number of unordered pairs of vertices u and v of G such that the distance dG(u, v) between u and v is 3. In this paper the Wiener polarity index of some graph operations are computed. As an application of our results, the Wiener polarity index of a polybuckyball fullerene and C4 nanotubes and nanotori are computed. AMS Mathematics Subj...

Phenine Nanotubes (PhNT) are cylinder-shaped molecules synthetized from 1,3,5-trisubstituted benzene ring building blocks that can form tubular segments of different sizes. Small nanotube have been recently synthetized, and efforts being made to increase the nanotubes’ length by adding more “phenine” units. To authors’ best knowledge, a complete characterization mechanical properties these nano...

[1] Liu C, Cheng HM, Cong HT, Li F, Su G, Zhou BL, et al. Synthesis of macroscopically long ropes of well-aligned single-walled carbon nanotubes. Adv Mater 2000;12(16):1190–2. [2] Nikolaev P, Bronikowski M, Bradley RK, Rohmund F, Colbert DT, Smith KA, et al. Gas-phase catalytic growth of single-walled carbon nanotubes from carbon monooxide. Chem Phys Lett 1999;313(1–2): 91–7. [3] Hata K, Futaba...

Carbon-based tubular materials have sparked a great interest in future electronics and optoelectronics device applications. In this work, we computationally studied the mechanical properties of nanotubes generated from popgraphene (PopNTs). Popgraphene is 2D carbon allotrope composed 5-8-5 rings. We carried out fully atomistic reactive (ReaxFF) molecular dynamics for PopNTs different chiralitie...

The physical adsorption of hydrogen sulfide and carbon dioxide gases on the zigzag (5,0) carbon nanotubes doped with nitrogen was investigated through the application of B3LYP/6-31G* at the level of theory on Gaussian 03 software. A variety of stable and high abundance structures of nitrogen doped carbon nanotubes were considered in order to study the interaction between the mentioned gases in ...

Stimulated by recent advances in isolating graphene and similarities to single-wall carbon nanotubes, simulations were performed to assess the effects of static disorder on the conductance of metallic armchair- and zigzag-edge graphene nanostrips. Both strip types were found to have outstanding ballistic transport properties in the presence of a substrate-induced disorder. However, only the zig...

One of the most common methods of carbon nanotubes (CNTs) synthesis is application of an electric-arc plasma. However, the final product in the form of cathode deposit is composed of carbon nanotubes and a variety of carbon impurities. An assay of carbon nanotubes produced in arc discharge systems available on the market shows that commercial cathode deposits contain about 10% CNTs. Given that ...

This paper presents a structural mechanics approach to modeling the deformation of carbon nanotubes. Fundamental to the proposed concept is the notion that a carbon nanotube is a geometrical frame-like structure and the primary bonds between two nearest-neighboring atoms act like load-bearing beam members, whereas an individual atom acts as the joint of the related load-bearing beam members. By...