Single-wall boron nitride nanotubes encapsulating conjugated bithiophene molecule: Raman analysis
In this paper, we investigate the hybrid systems based on single-wall boron nitride nanotubes (SWBNNTs) encapsulating the bithiophene molecule (2T) by a combination of molecular dynamics, density functional theory (DFT), and spectral moments method (SMM). The structural stability of the hybrid syste...
| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
EDP Sciences
2023-01-01
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| Series: | E3S Web of Conferences |
| Online Access: | https://www.e3s-conferences.org/articles/e3sconf/pdf/2023/106/e3sconf_icegc2023_00024.pdf |