Even though isolated defect-free single-wall carbon nanotubes are straight, bundles of chiral single-wall carbon nanotubes are often helical according to our observations using high-resolution electron microscopy. The driving force for the formation of such helices is the energy gain associated with the optimum orientational alignment of neighboring nanotubes. Our total energy calculations allo...

this paper discusses different important gas permeation models such as “maxwell”, “bruggeman”, “lewis-neilson”, and “pal” models to predict “mixed matrix membranes” (mmms) performance. the main parameter considered and discussed is the permeability of hydrogen on carbon nanotubes (cnts)-mmm. for evaluation of the theoretical models, experimental data of permeability for h2 were compared to the ...

The discovery of lower dimensional forms of Carbon with unique mechanical and electronic properties has generated new possibilities in many areas of technology especially in nanotechnology. Recent emergence of some nanoscale device applications show how this potential is turning into a reality. Over the years, we have employed various levels of theory to study the structure and properties of ca...

The axial coefficients of thermal expansion (CTE) of various carbon nanotubes (CNTs), i.e., single-wall carbon nanotubes (SWCNTs), and some multi-wall carbon nanotubes (MWCNTs), were predicted using molecular dynamics (MDs) simulations. The effects of two parameters, i.e., temperature and the CNT diameter, on CTE were investigated extensively. For all SWCNTs and MWCNTs, the obtained results cle...

First-principles calculations based on density functional theory are carried out to investigate the Li storage capability of graphitic carbon nitride nanotubes. The porous nanotubes provide unprecedented opportunity for energy storage due to their uniform size of pores in the wall and doubly bonded nitrogen at the edges of the pore. The calculations predict that the Li atoms can easily access t...

Magnetic force microscope ( MFM ) is a powerful technique for mapping the magnetic force gradient above the sample surface. Herein, single-wall carbon nanotubes (SWCNT) were used to fabricate MFM probe by dielectrophoresis method which is a reproducible and cost-effective technique. The effect of induced voltage on the deposition manner of carbon nanotubes (CNT) on the atomic force microscope (...

Carbon nanotubes were subjected to doping with an energetic Ag ion beam, and the carbon nanotubes on the top of the array were transformed into amorphous carbon nanowires with embedded Ag-nanoparticles. The field emission characteristics of these nanowires were investigated. The minimum turn-on and threshold fields were 0.68 and 1.09 V/mum, respectively, which were lower than those of the as-gr...