We hypothesize a mechanistic model of how negatively-charged exclusion zones (EZs) are created. While the growth of EZs is known to be associated with the absorption of ambient photonic energy, the molecular dynamics giving rise to this process need greater elucidation. We believe they arise due to the formation of oxy-subhydride structures (OH−)(H2O)4 with a tetrahedral (sp3) (OH−)(H2O)3 core....

 In this paper, the performance of carbon nanocone as an ideal adsorbent and sensing material for tetryl was investigated by density functional theory. For this aim, the structures of tetryl, carbon nanocone and their complexes were optimized geometrically. Afterwards, IR and FMO computations were done on them. The obtained thermodynamic parameters showed the interaction of car...

In this article, we have performed calculations for studying the stability of the carbon group elements such as Si and Ge and also the magnetic elements like Fe and Co via first principle investigations. We found that Si and Ge decoupled from the interior surface of carbon nanotubes, this fact was independent in curvature, radius, conductivity and numbers of atoms in the carbon nanotubes. But t...

Here, we have synthesized vertically aligned carbon nanotubes (VA-CNTs), using chemical vapor deposition (CVD) method. Cobalt and ethanol are used as the catalyst and the carbon source, respectively. The effects of ethanol flow rate, thickness of Co catalyst film, and growth time on the properties of the carbon nanotube growth are investigated. The results show that the flow rate of ethanol and...