Mechanical stability of a nanotube from monolayer black phosphorus with the [110] direction as the tube's circumference or generatrix

Zhao, Z, Yin, H, Cai, K and Zhou, W 2018, 'Mechanical stability of a nanotube from monolayer black phosphorus with the [110] direction as the tube's circumference or generatrix', Physical Chemistry Chemical Physics, vol. 20, no. 5, pp. 3465-3473.


Document type: Journal Article
Collection: Journal Articles

Title Mechanical stability of a nanotube from monolayer black phosphorus with the [110] direction as the tube's circumference or generatrix
Author(s) Zhao, Z
Yin, H
Cai, K
Zhou, W
Year 2018
Journal name Physical Chemistry Chemical Physics
Volume number 20
Issue number 5
Start page 3465
End page 3473
Total pages 9
Publisher Royal Society of Chemistry
Abstract The mechanical properties of black phosphorus (BP) are anisotropic. Correspondingly, the properties of the nanotubes formed by bending the same BP ribbon along different directions are different as well. When bending the ribbon along the [110] direction (i.e., stair direction), or along its perpendicular direction (i.e., ps-direction), s- or ps-BPNT can be obtained. The two types of BPNTs are investigated via molecular dynamics (MD) simulations on their thermal and mechanical properties. The results indicate that, for the thermal stability of the s-BPNTs with similar diameters, s-BPNT is weaker than a-BPNTs (armchair type) but stronger than ps-BPNT, and z-BPNT (zigzag type) is the weakest one. In general, a-BPNT has larger compressive or tensile strength, while s-BPNT and ps-BPNT can bear larger deformation. Under uniaxial compression, s-BPNT has two different breaking patterns at different temperatures. The peculiar properties illustrate the wider application of BPNTs in nanodevices under large deformation.
Subject Engineering not elsewhere classified
Physical Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Keyword(s) Negative Poissons Ratio
Molecular-Dynamics
Carbon Nanotube
Low-Temperature
Nanoribbon
Transistors
Strain
DOI - identifier 10.1039/c7cp07662b
Copyright notice This journal is © the Owner Societies 2018
ISSN 1463-9076
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