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

L Wang and K Cai, COMPUTATIONAL MATERIALS SCIENCE, 150, 15-23 (2018).

DOI: 10.1016/j.commatsci.2018.03.068

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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