The optoelectronic properties of boron nitride nanotubes of armchair (7, 7) and zigzag (12, 0) types: A theoretical study
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 exhi...
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EDP Sciences
2025-01-01
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| Series: | E3S Web of Conferences |
| Online Access: | https://www.e3s-conferences.org/articles/e3sconf/pdf/2025/01/e3sconf_icegc2024_00081.pdf |
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| author | El Ouardi Oumaima Boutahir Mourad Fakrach Brahim Chadli Hassan |
| author_facet | El Ouardi Oumaima Boutahir Mourad Fakrach Brahim Chadli Hassan |
| author_sort | El Ouardi Oumaima |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-0eab041c771b45b89249c87cee8b816c |
| institution | Kabale University |
| issn | 2267-1242 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | EDP Sciences |
| record_format | Article |
| series | E3S Web of Conferences |
| spelling | doaj-art-0eab041c771b45b89249c87cee8b816c2025-02-05T10:46:25ZengEDP SciencesE3S Web of Conferences2267-12422025-01-016010008110.1051/e3sconf/202560100081e3sconf_icegc2024_00081The optoelectronic properties of boron nitride nanotubes of armchair (7, 7) and zigzag (12, 0) types: A theoretical studyEl Ouardi Oumaima0Boutahir Mourad1Fakrach Brahim2Chadli Hassan3Laboratory of Advanced Materials Study and Applications (LEM2A), Moulay Ismail University, Faculty of SciencesLaboratory of Advanced Materials Study and Applications (LEM2A), Moulay Ismail University, Faculty of SciencesLaboratory of Advanced Materials Study and Applications (LEM2A), Moulay Ismail University, Faculty of SciencesLaboratory of Advanced Materials Study and Applications (LEM2A), Moulay Ismail University, Faculty of SciencesIn 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.https://www.e3s-conferences.org/articles/e3sconf/pdf/2025/01/e3sconf_icegc2024_00081.pdf |
| spellingShingle | El Ouardi Oumaima Boutahir Mourad Fakrach Brahim Chadli Hassan The optoelectronic properties of boron nitride nanotubes of armchair (7, 7) and zigzag (12, 0) types: A theoretical study E3S Web of Conferences |
| title | The optoelectronic properties of boron nitride nanotubes of armchair (7, 7) and zigzag (12, 0) types: A theoretical study |
| title_full | The optoelectronic properties of boron nitride nanotubes of armchair (7, 7) and zigzag (12, 0) types: A theoretical study |
| title_fullStr | The optoelectronic properties of boron nitride nanotubes of armchair (7, 7) and zigzag (12, 0) types: A theoretical study |
| title_full_unstemmed | The optoelectronic properties of boron nitride nanotubes of armchair (7, 7) and zigzag (12, 0) types: A theoretical study |
| title_short | The optoelectronic properties of boron nitride nanotubes of armchair (7, 7) and zigzag (12, 0) types: A theoretical study |
| title_sort | optoelectronic properties of boron nitride nanotubes of armchair 7 7 and zigzag 12 0 types a theoretical study |
| url | https://www.e3s-conferences.org/articles/e3sconf/pdf/2025/01/e3sconf_icegc2024_00081.pdf |
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