Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 150, Issue -, Pages 15-23Publisher
ELSEVIER
DOI: 10.1016/j.commatsci.2018.03.068
Keywords
Black phosphorus; Nanoribbon; Gas absorption; Tensile strength; Molecular dynamics
Categories
Funding
- National Natural Science Foundation of China [11472098]
- National Key Research and Development Plan, China [2017YFC0405102]
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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.
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