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|Title:||Theoretical prediction for the encapsulation of TiO2 nanoparticles into carbon nanotubes|
|Keywords:||Carbon nanotubes;Encapsulation;Lennard-Jones potential function;Suction energy;Titanium dioxide|
|Publisher:||2010 3rd International Conference on Nanoscience and Nanotechnology, ICONN 2010|
|Abstract:||Carbon nanotubes and titanium dioxide nanoparticles (TiO2) are well-known nanostructures which offer the means to create many new and novel nanoscale devices. The encapsulation of a TiO2 molecule into a single-walled carbon nanotube may provide the ideas for the development in targeted drug delivery process. This paper aims to investigate the relation between the potential molecular interaction energy of the system versus the radii of TiO2 molecule and the nanotube. The Lennard-Jones potential function together with the continuous approximation is employed to determine the molecular interaction energy between the TiO2 molecule and the carbon nanotube. The suction energy, which is the energy acquired by the molecule in the encapsulation, for a particular TiO2 molecular radius is presented. An accumulation of TiO2 clusters at only one end of the open nanotube is observed in experiments, so the interaction energy between two TiO2 nanoparticles is also examined. The results presented here are based on work by the present authors appearing in [1, 2].|
|Appears in Collections:||Chemistry: International Proceedings|
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