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arXiv · 2306.05602

Reversible Actuation of $\alpha$-Borophene Nanoscrolls

Guilherme S. L. Fabris·Douglas S. Galvão·Ricardo Paupitz
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Abstract

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.

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Guilherme S. L. Fabris, Douglas S. Galvão, Ricardo Paupitz. 2023-06-09. Reversible Actuation of $\alpha$-Borophene Nanoscrolls. https://doi.org/10.1039/d3cp06193k

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