Next Article in Journal
Carbon Wrapped Ni3S2 Nanocrystals Anchored on Graphene Sheets as Anode Materials for Lithium-Ion Battery and the Study on Their Capacity Evolution
Previous Article in Journal
Applications of SERS in the Detection of Stress-Related Substances
Open AccessArticle

Mechanical Behaviors of Angle-Ply Black Phosphorus by Molecular Dynamics Simulations

School of Engineering, RMIT University, PO Box 71, Bundoora, VIC 3083, Australia
*
Author to whom correspondence should be addressed.
Nanomaterials 2018, 8(10), 758; https://doi.org/10.3390/nano8100758
Received: 7 September 2018 / Revised: 21 September 2018 / Accepted: 25 September 2018 / Published: 26 September 2018
Regular black phosphorus (BP) sheets possess strongly anisotropic properties due to the unique puckered atomistic configuration, making such BP mechanically very weak in the armchair direction. The present work aims to address this issue by proposing an angle-ply double-layer black phosphorus (DLBP) structure in which two individual atomic layers with different orientation angles are stacked up. The molecular dynamics simulations based on Stillinger-Weber potential show that the in-plane mechanical properties of such a DLBP structure, e.g., Young’s modulus and tensile strength are significantly influenced by the stacking angle of each layer. The property anisotropy of DLBP decreases as the stacking angle difference δ between two layers increases and becomes isotropic when δ = 90°. This work also shed insight into mechanisms of angle-ply layers underlying the mechanical behaviors of DLBP at the nanoscale, suggesting that the anisotropic material properties can be effectively controlled and tuned through the appropriately selected stacking angles. View Full-Text
Keywords: double-layer black phosphorus; angle-ply microstructure; stacking angle difference; mechanical behaviors; molecular dynamics simulation double-layer black phosphorus; angle-ply microstructure; stacking angle difference; mechanical behaviors; molecular dynamics simulation
Show Figures

Graphical abstract

MDPI and ACS Style

Li, L.; Sun, R.; Yang, J. Mechanical Behaviors of Angle-Ply Black Phosphorus by Molecular Dynamics Simulations. Nanomaterials 2018, 8, 758.

Show more citation formats Show less citations formats
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Article Access Map by Country/Region

1
Back to TopTop