Stabilization of molecular hydrogen-bonded chains by carbon nanotubes
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arXiv
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| Hauptverfasser: | , |
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| Format: | Preprint |
| Veröffentlicht: |
2024
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| _version_ | 1866911758285799424 |
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| author | Savin, Alexander V. Kivshar, Yuri S. |
| author_facet | Savin, Alexander V. Kivshar, Yuri S. |
| contents | We study numerically nonlinear dynamics of several types of molecular systems composed of hydrogen-bonded chains placed inside carbon nanotubes with open edges. We demonstrate that carbon nanotubes provide a stabilization mechanism for quasi-one-dimensional molecular chains via the formation of their secondary structures. In particular, a polypeptide chain (Gly)$_N$ placed inside a carbon nanotube can form of a stable helical chain ($3_{10}$, $α$, $π$ and $β$-helix) with parallel chains of hydrogen-bonded peptide groups. A chain of hydrogen fluoride molecules can form hydrogen-bonded zigzag chain. We reveal that in such geometries the hydrogen-bonded chains may remain stable even at $T=500$~K. Thus, our results suggest that the use of carbon nanotubes with encapsulated hydrogen fluoride molecules may support high proton conductivity operating at high temperatures. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2401_07366 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Stabilization of molecular hydrogen-bonded chains by carbon nanotubes Savin, Alexander V. Kivshar, Yuri S. Mesoscale and Nanoscale Physics We study numerically nonlinear dynamics of several types of molecular systems composed of hydrogen-bonded chains placed inside carbon nanotubes with open edges. We demonstrate that carbon nanotubes provide a stabilization mechanism for quasi-one-dimensional molecular chains via the formation of their secondary structures. In particular, a polypeptide chain (Gly)$_N$ placed inside a carbon nanotube can form of a stable helical chain ($3_{10}$, $α$, $π$ and $β$-helix) with parallel chains of hydrogen-bonded peptide groups. A chain of hydrogen fluoride molecules can form hydrogen-bonded zigzag chain. We reveal that in such geometries the hydrogen-bonded chains may remain stable even at $T=500$~K. Thus, our results suggest that the use of carbon nanotubes with encapsulated hydrogen fluoride molecules may support high proton conductivity operating at high temperatures. |
| title | Stabilization of molecular hydrogen-bonded chains by carbon nanotubes |
| topic | Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2401.07366 |