Elasticity, Flexibility and Ideal Strength of Borophenes
arXiv:1609.07533 · doi:10.1002/adfm.201605059
Abstract
We study the mechanical properties of two-dimensional (2D) boron, borophenes, by first-principles calculations. The recently synthesized borophene with 1/6 concentration of hollow hexagons (HH) is shown to have in-plane modulus C up to 210 N/m and bending stiffness as low as D = 0.39 eV. Thus, its Foppl-von Karman number per unit area, defined as C/D, reaches 568 nm-2, over twofold higher than graphene's value, establishing the borophene as one of the most flexible materials. Yet, the borophene has a specific modulus of 346 m2/s2 and ideal strengths of 16 N/m, rivaling those (453 m2/s2 and 34 N/m) of graphene. In particular, its structural fluxionality enabled by delocalized multi-center chemical bonding favors structural phase transitions under tension, which result in exceptionally small breaking strains yet highly ductile breaking behavior. These mechanical properties can be further tailored by varying the HH concentration, and the boron sheet without HHs can even be stiffer than graphene against tension. The record high flexibility combined with excellent elasticity in boron sheets can be utilized for designing composites and flexible systems.
arXiv comment13 pages, 5 figures
References in corpus (12)
- Electric Field Effect in Atomically Thin Carbon Films
- Experimental Realization of Two-Dimensional Boron Sheets
- Superior mechanical flexibility of phosphorene and few-layer black phosphorus
- Novel Precursors for Boron Nanotubes: The Competition of Two-Center and Three-Center Bonding in Boron Sheets
- Negative Poisson's Ratio in Single-Layer Black Phosphorus
- Probing the Synthesis of Two-Dimensional Boron by First-Principles Computations
- The Ideal Tensile Strength and Phonon Instability of Borophene
- Direct Evidence of Metallic Bands in a Monolayer Boron Sheet
- Mechanical responses of borophene sheets: A first-principles study
- Mechanics and Tunable Bandgap by Straining in Single-Layer Hexagonal Boron-Nitride
- Approximate Modeling of Spherical Membrane
- Unveiling the atomic structure of single-wall boron nanotubes
Cited by in corpus (16)
- Review of borophene and its potential applications
- Lattice Defects and the Mechanical Anisotropy of Borophene
- Review of Transition-Metal Diboride Thin Films
- Exploring the Charge Localization and Band Gap Opening of Borophene: A First-Principles Study
- Parameterization of Stillinger-Weber Potential for Two-Dimensional Atomic Crystals
- Strain effects on monolayer MoSi2N4: ideal strength and failure mechanism
- High Curie temperature half metallic 2D M2Se3 (M = Co, Ni, and Pd) monolayers with superior mechanical flexibility
- Robust Sandwiched B/TM/B Structures by Metal Intercalating into Bilayer Borophene Leading to Excellent Hydrogen Evolution Reaction
- Two-dimensional Boron Monosulfides: Semiconducting and Metallic Polymorphs
- Insight into Two-Dimensional Borophene: Five-Center Bond and Phonon-Mediated Superconductivity
- Neural network approach for a rapid prediction of metal-supported borophene properties
- 2D Ladder polyborane: an ideal Dirac semimetal with a multi-feld-tunable band gap
- Monolayer RhB4: half-auxeticity and almost ideal spin-orbit Dirac point semimetal
- Resonant tunneling in disordered borophene nanoribbons with line defects
- Superlubricity of Borophene: Tribological Properties in Comparison to hBN
- Universal Scaling in Intrinsic Resistivity of Two-Dimensional Metal Borophene