| Issue |
E3S Web Conf.
Volume 336, 2022
The International Conference on Energy and Green Computing (ICEGC’2021)
|
|
|---|---|---|
| Article Number | 00018 | |
| Number of page(s) | 4 | |
| DOI | https://doi.org/10.1051/e3sconf/202233600018 | |
| Published online | 17 January 2022 | |
Raman spectra of carbon nanowires made of single walled carbon nanotubes encasing polyynes
* Laboratoire d’Étude des Matériaux Avancés et Applications (LEM2A), Université Moulay Ismaïl, Faculté des Sciences, BP 11201, Zitoune, 50000 Meknès, Morocco
E-mail: youssefkensi@gmail.com
In this work, the Raman spectra of LCCs encapsulated single-walled carbon nanotubes (SWCNTs) are calculated using the spectral moment’s method. To derive the optimum configurations of the linear carbon chains inside nanotubes, the minimum energy calculations using a convenient Lennard-Jones expression of the van der Waals intermolecular potential is devoted. The optimized structures show that the minima correspond to nanotubes configurations with diameter close to 0.68nm. The influence of the nanotube diameter and chirality are investigated. We also address the important question of the effect of filling degree using the frequency of Raman active modes. These predictions are useful to interpret the experimental data.
© The Authors, published by EDP Sciences, 2022
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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