| Issue |
E3S Web Conf.
Volume 601, 2025
The 3rd International Conference on Energy and Green Computing (ICEGC’2024)
|
|
|---|---|---|
| Article Number | 00081 | |
| Number of page(s) | 7 | |
| DOI | https://doi.org/10.1051/e3sconf/202560100081 | |
| Published online | 16 January 2025 | |
The optoelectronic properties of boron nitride nanotubes of armchair (7, 7) and zigzag (12, 0) types: A theoretical study
Laboratory of Advanced Materials Study and Applications (LEM2A), Moulay Ismail University, Faculty of Sciences, BP 11201, Zitoune, Meknes, 50000, Morocco
* Corresponding author: ou.elouardi@edu.umi.ac.ma
In this article, the electronic and optical properties of single-walled boron nitride nanotubes (SWBNNTs) in zigzag (12, 0) and armchair (7, 7) configurations were examined using density functional theory (DFT) with the Vienna Ab initio Simulation Package (VASP). The analysis shows that SWBNNTs exhibit electronic characteristics with a density of states and an electronic band gap around 4 eV. Regarding optical properties, the calculations reveal key features such as absorption, reflection, and dielectric constant, with a notably strong absorption peak in the ultraviolet region. These results highlight the potential of SWBNNTs for applications in optoelectronic devices.
© The Authors, published by EDP Sciences, 2025
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