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 ...

in this work the synthesis of polyaniline/chitosan/functionalized single- walled carbon nanotube nanocomposite is carried out. for this purpose single -walled carbon nanotubes were reacted with thionyl chloride to change the hydroxyl to acyl chloride groups for improving the react ability. in other step, aniline monomers and chitosan were polymerized in the presence of iron (iii) chloride to sy...

A review is presented on the resonance Raman spectra from one isolated single wall carbon nanotube. The reasons why it is possible to observe the spectrum from only one nanotube are given and the important structural information that is provided by single nanotube spectroscopy is discussed. Emphasis is given to the new physics revealed by the various phonon features found in the single nanotube...

density-functional theory is used to investigate sulfur dioxide physisorption inside and outside of single-wall carbon nanotube of (5,0) and (5,5). this study is conducted at b3lyp/6-31g* level of theory. sulfur dioxide molecule is studied with axis oriented parallel or perpendicular to the nanotube wall. both internal and external adsorption on nanotubes is increased with the angle of interact...

this paper was aimed to address the modeling of effective thermal conductivity and viscosity of carbon structured nanofluids. response surface methodology, d_optimal design (dod) was employed to assess the main and interactive effects of temperature (t) and weight percentage (wt %) to model effective thermal conductivity and viscosity of multi wall and single wall carbon nanotube, cvd and rgo g...

Molecular dynamics simulations are carried out on the isothermal crystallization process of single polyethylene chains with different chain lengths on the single wall carbon nanotube. This process is summarized as two steps, i.e., adsorption and orientation, and the bond-orientational order parameter is used to show the details of this process. The results show that the attractive van der Waals...

gas diffusion electrode was used for providing better conditions in fuel cell systems for oxygen reduction reaction (orr). because the slow kinetics of the oxygen reduction reaction at the proton exchange membrane fuel cell cathode restricts fuel cell efficiency. to this end, researchers have used platinum-coated carbon. in the present study, due to the reduction of carbon corrosion, zinc oxide...

This paper was aimed to address the modeling of effective thermal conductivity and viscosity of carbon structured nanofluids. Response surface methodology, D_optimal design (DOD) was employed to assess the main and interactive effects of temperature (T) and weight percentage (wt %) to model effective thermal conductivity and viscosity of multi wall and single wall carbon nanotube, CVD and RGO G...