Aberration-corrected electron microscopy (STEM-HAADF) has been used for the first time to understand the capping, nature and structure of the MoS(2) nanotubes. The MoS(2) nanotubes that have been obtained have various unusual faceted caps presumably arising from the presence of topological defects. A detailed study of the capping of the nanotubes, along with identification that the MoS(2) nanot...

We report the synthesis of tubular graphite cones using a chemical vapor deposition method. The cones have nanometer-sized tips, micrometer-sized roots, and hollow interiors with a diameter ranging from about 2 to several tens of nanometers. The cones are composed of cylindrical graphite sheets; a continuous shortening of the graphite layers from the interior to the exterior makes them cone-sha...

Herein, we investigate the structural, electronic and mechanical properties of zigzag graphene nanoribbons in the presence of stress by applying density functional theory within the GGA-PBE (generalized gradient approximation-Perdew-Burke-Ernzerhof) approximation. The uniaxial stress is applied along the periodic direction, allowing a unitary deformation in the range of ± 0.02%. The mechanical ...

In this work we reported the carbon dioxide adsorption (CO2) in six different nanostructures in order to investigate the capturing capacity of the materials at nanoscale. Here we have considered the three different nanotubes including zinc oxide nanotube (ZnONT), silicon carbide nanotube (SiCNT) and single walled carbon nanotube (SWCNT). Three different chiralities such as zigzag (9,0), armchai...

Structure and energy calculations of pristine and COOH-modified model single wall carbon nanotubes (SWCNTs) of different length were performed at B3LYP/6-31G* level of theory. From 1 to 9 COOH groups were added at the end of the nanotube. The differences in structure and energetics of partially and fully functionalized SWCNTs at one end of the nanotube are observed. Up to nine COOH groups could...

Introduction The reaction of O2 with carbonaceous surfaces has been widely studied due to its important application in industry. In general, O2 is first chemisorbed on an electron-rich site of the carbon basal plane of graphite and then, it dissociates into oxygen atoms. Oxygen will diffuse on the surface until finds a structural defect to form covalent bonds. If temperature is appropriated, CO...

Tight-Binding Calculation of Electronic Properties of Oligophenyl and Oligoacene nanoribbons. Within recent years, allotropic structures of carbon have been produced in the forms of tubes and ribbons which offer the promise of extraordinary electronic and thermal properties. Here we present analyses of oligophenyl and oligoacene systems– infinite, one-dimensional chains of benzene rings linked ...

in this work, the first in the world of science, the focus was on the best angle of connection between carbon nanotubes and the most widely used group of antibiotics. while having the highest stability, in terms of energy, we have the best angle of to connect to the in vivo delivery of intraoperative antibiotic binding with carbon nanotubes not lost. it will never work in the world of science. ...

The structural, dynamical, and thermodynamic properties of different carbon allotropes are computed using a combination of ab-initio methods: density-functional theory for total-energy calculations and density-functional perturbation theory for lattice dynamics. For diamond, graphite, graphene, and armchair or zigzag singlewalled nanotubes we first calculate the ground-state properties: lattice...

We evaluated the effect of Fe/Alumina Catalyst contained different Cadmium contents and two synthesis temperatures on producing carbon nanotubes by chemical vapor deposition of methane as a feedstock.  X-ray powder diffraction (XRD), N2 adsorption-desorption, scanning electron microscopy (SEM), transmission electron microscopy (TEM), Raman spectroscopy and Thermogravimetry analysis (TGA) were u...