Absorption and temperature effects on the tensile strength of a black phosphorus ribbon in argon environment

Wang, L and Cai, K 2018, 'Absorption and temperature effects on the tensile strength of a black phosphorus ribbon in argon environment', Computational Materials Science, vol. 150, pp. 15-23.


Document type: Journal Article
Collection: Journal Articles

Title Absorption and temperature effects on the tensile strength of a black phosphorus ribbon in argon environment
Author(s) Wang, L
Cai, K
Year 2018
Journal name Computational Materials Science
Volume number 150
Start page 15
End page 23
Total pages 9
Publisher Elsevier
Abstract Due to its excellent electrical properties, a few-layer black phosphorus (BP) ribbon has wide potential application in nano-devices. Its strength is essential for fabrication of the nano-devices. However, BP suffers from severe performance degradation in ambient conditions. In the present study, using argon as shielding gas, we investigate the tensile strength of a few-layer ribbon with consideration of both temperature and gas absorption via molecular dynamics simulations. Results demonstrate that the tensile strength of a BP ribbon is weakened at high temperature. If the ribbon has full relaxation before stretching, its tensile strength can be improved slightly by the argon membrane absorbed onto its surfaces. At 300 K, the strength is improved obviously due to gas absorption. The conclusions can be used for potential application in fabrication of few-layer BP ribbons.
Subject Numerical Computation
Civil Engineering not elsewhere classified
Keyword(s) Black phosphorus
Gas absorption
Molecular dynamics
Nanoribbon
Tensile strength
DOI - identifier 10.1016/j.commatsci.2018.03.068
Copyright notice © 2018 Elsevier B.V. All rights reserved.
ISSN 0927-0256
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