Computational modeling demonstrates the influence of catalyst dipole moments on carbon nanotube synthesis, suggesting that local electric fields drive vertical alignment.
Why vapor species land on the surface of the nanoparticle seed for nanotube synthesis is a vital question. An investigation has been carried out to find an answer to it. For this, a model of the dipole moment has been developed. A bimetallic alloy (non-alloy, solid solution) exhibiting the shape of a cap has been assumed to function as the nanoparticle seed. Various features of the dipole moment have been examined. The influence of the dipole moment on nanotube synthesis, alignment, chirality, and characteristics has also been studied. Available experiments on the synthesis of carbon nanotubes employing bimetallic catalysts have been compared with the results from calculations. Close correspondence between the two demonstrates that the catalysts may exhibit a dipole moment and have a crucial role in nanotube synthesis and characteristics. The dipole moment has also been employed to determine why some nanotubes grow vertically, while others are bent. Calculated results appear to explain the basic causes for this. These results suggest that the electric field resulting from the dipole moment of catalysts may be important for the vertical alignment of nanotubes. They may attest to the validity of the model and to the existence of a dipole moment in seeds. Although considered for nanotube syntheses, the results may be applicable to other nanomaterials (nanotubes, nanowires, nanodots).
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S. Noor Mohammad (2012) studied this question.
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