Abstract
Black phosphorus (BP) has become a popular two dimensional semiconducting material. Investigation of a BP nanotube, theoretically and experimentally, is therefore a hot topic attracting many recent researchers. In this paper, a nanotube system is proposed by placing a BP ribbon near a carbon nanotube (CNT) to form a BP nanotube. The system is formed based on the following two aspects. The first is that the CNT has a perfect surface that provides only van der Waals attraction to the BP ribbon. The BP ribbon does not damage the CNT. The second aspect is that a BP ribbon can feature a large curvature without breaks of the phosphorus-phosphorus bonds in it. If the length of the BP ribbon is well chosen to be a ‘perfect length’, the ribbon can form a perfect BP nanotube winding on a CNT at very low temperature. At higher temperature, e.g., ≥50K, it is difficult to obtain a perfect BP nanotube. With a BP ribbon whose length is greater than the perfect length, it is difficult to create a perfect BP nanotube even at ultralow temperature.
Highlights
With the rapid development of nanotechnology, low dimensional nano materials can be obtained and their physical properties studied profoundly
Using a molecular dynamics simulation approach, we investigated the possibility of forming a nanotube from Black phosphorus (BP) nanoribbon via winding on a carbon nanotube (CNT)
If the two edges of a BP ribbon along the tube axis do not join soon after the BP ribbon is attracted onto the inner tube, the history curve of the ΔPE of the system contains at least two sharp decreases
Summary
With the rapid development of nanotechnology, low dimensional nano materials can be obtained and their physical properties studied profoundly. It must be a challenge to form a phosphorus nanotube using a self-assembly method, such as a chemical vapor deposition approach. This difficulty seems not to reduce the curiosity of theoretical researcher exploring the fascinating 1D material, a BP nanotube. Considering the weakness of P\\P bonds in a BP nanotube, Cai et al [25] recently investigated the stability of both armchair and zigzag BP nanotubes at finite temperatures Their results indicated that the radius of a stable armchair BP nanotube can be far less than that of a stable zigzag BP nanotube at the same temperature.
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