Reversible Actuation of $\alpha$-Borophene Nanoscrolls

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.

arXiv comment21 pages, 6 figures, 1 table

References in corpus (14)

• Electric Field Effect in Atomically Thin Carbon Films
• The electronic properties of graphene
• Phosphorene: A New 2D Material with High Carrier Mobility
• Experimental Realization of Two-Dimensional Boron Sheets
• Dirac fermions in borophene
• Electronic, optical, and thermodynamic properties of borophene from first-principle calculations
• Density-functional tight-binding for beginners
• Review of borophene and its potential applications
• The epitaxial-graphene/graphene-oxide junction, an essential step towards epitaxial graphene electronics
• Koopmans' condition for density-functional theory
• The Ideal Tensile Strength and Phonon Instability of Borophene
• Range separated functionals in the density functional based tight binding method: Formalism
• Structure and Dynamics of Boron Nitride Nanoscrolls
• A Brief Review on Syntheses, Structures and Applications of Nanoscrolls