Reversible Actuation of $α$-Borophene Nanoscrolls
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arXiv
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| Hauptverfasser: | , , |
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| Format: | Preprint |
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2023
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| _version_ | 1866910430671142912 |
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| author | Fabris, Guilherme S. L. Galvão, Douglas S. Paupitz, Ricardo |
| author_facet | Fabris, Guilherme S. L. Galvão, Douglas S. Paupitz, Ricardo |
| contents | In this work, we proposed and investigated the structural and electronic properties of boron-based nanoscrolls (armchair and zigzag) using the DFTB+ method. We also investigated the electroactuation process (injecting and removing charges). A giant electroactuation was observed, but the results show relevant differences between the borophene and carbon nanoscrolls. The molecular dynamics simulations showed that the scrolls are thermally and structurally stable for a large range of temperatures (up to 600K) and the electroactuation process can be easily tuned and can be entirely reversible for some configurations. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2306_05602 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Reversible Actuation of $α$-Borophene Nanoscrolls Fabris, Guilherme S. L. Galvão, Douglas S. Paupitz, Ricardo Mesoscale and Nanoscale Physics In this work, we proposed and investigated the structural and electronic properties of boron-based nanoscrolls (armchair and zigzag) using the DFTB+ method. We also investigated the electroactuation process (injecting and removing charges). A giant electroactuation was observed, but the results show relevant differences between the borophene and carbon nanoscrolls. The molecular dynamics simulations showed that the scrolls are thermally and structurally stable for a large range of temperatures (up to 600K) and the electroactuation process can be easily tuned and can be entirely reversible for some configurations. |
| title | Reversible Actuation of $α$-Borophene Nanoscrolls |
| topic | Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2306.05602 |