Work

Reversible actuation of α-borophene nanoscrolls

Year: 2024

Type: article

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 600 K), and the electroactuation process can be easily tuned and can be entirely reversible for some configurations.

Source: Physical Chemistry Chemical Physics

DOI: 10.1039/d3cp06193k

Authors: Guilherme S. L. Fabris, Douglas S. Galvão, Ricardo Paupitz

Institutions: Universidade Federal de Pelotas, Universidade Estadual de Campinas (UNICAMP), Universidade Estadual Paulista (Unesp)

Language: English

Topic: Boron and Carbon Nanomaterials Research

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green