najoNanosystems: Physics, Chemistry, MathematicsНаносистемы: физика, химия, математика2220-80542305-7971Университет ИТМО10.17586/2220-8054-2018-9-4-521-531najo-766Research ArticleCHEMISTRY AND MATERIAL SCIENCEХИМИЯ И МАТЕРИАЛОВЕДЕНИЕCapillary filling of carbon nanotubes by BiCl3: TEM and MD insightAnumolE. A.

Nanostructured Materials Group, Department of Advanced Electron Microscopy, Imaging and Spectroscopy

Braga

DeepakF. L.

Nanostructured Materials Group, Department of Advanced Electron Microscopy, Imaging and Spectroscopy

Braga

leonard.francis@inl.intEnyashinA. N.

Ekaterinburg

enyashin@ihim.uran.ruInternational Iberian Nanotechnology Laboratory (INL)PortugalInstitute of Solid State Chemistry UB RASRussian Federation20181308202594521531Copyright © Anumol E.A., Deepak F.L., Enyashin A.N., 20252025Anumol E.A., Deepak F.L., Enyashin A.N.Anumol E.A., Deepak F.L., Enyashin A.N.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://nanojournal.ifmo.ru/jour/article/view/766

Among numerous trichlorides, the melt of BiCl3 is a distinctly molecular liquid with a relatively low melting point, yet, with a high surface tension. Therefore, the attractiveness of a simple capillary filling technique for fabrication of nanosized BiCl3 by dispersion within a nanocapillary needs a special investigation. Here, we report the successful synthesis and the transmission electron microscopy characterization of the hybrids consisting of multi-walled carbon nanotubes and endohedral BiCl3 crystallites. The main peculiarities of imbibition into carbon nanotubes and an intricate internal organization of molten BiCl3 are established using the developed 4-site force-field model of BiCl3 and consequent molecular dynamics simulations at nanosecond time scale.

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The authors declare that there are no conflicts of interest present.