Abstract
A nanotube from single-layer black phosphorus (BP) has never been discovered in experiments. The present study proposed a method for the fabrication of a BP nanotube (BPNT) from a parallelogram nanoribbon self-assembled on a carbon nanotube (CNT). The nanoribbon has a pair of opposite sides along the third principal direction. According to the numerical simulation via molecular dynamics approach, we discover that a wider BP nanoribbon can form into a series of chiral nanotube by self-assembly upon CNTs with different radii. The radius of a BPNT from the same ribbon has a wide range, and depends on both geometry of the ribbon and the CNT. One can obtain a BPNT with the specified radius by placing the ribbon nearby a given CNT. The method provides a clue for potential fabrication of BPNTs.
Highlights
Among many phosphorus (P) allotropes1–3, black phosphorus (BP)4 shows excellent electric properties at lower dimension, e.g., two-dimension (2D)5–7
By molecular dynamics simulation approach, we study the self-assembly of a parallelogram BP ribbon with opposite edges along the third principal direction on a carbon nanotube (CNT)
According to the numerical results with respect to the different width of BP ribbons and different radii of CNTs, we find the ribbon can be formed into a nanotube in certain conditions
Summary
Among many phosphorus (P) allotropes, black phosphorus (BP) shows excellent electric properties at lower dimension, e.g., two-dimension (2D). One can form a rectangular BP ribbon into a nanotube (Fig. 1e,f), whose electric property is excellent, too, according to the first-principle calculations. As the opposite sides of a rectangular BP ribbon are covalently bonded together, those atoms on the two sides become as stable as the internal atoms. Cai et al. used a carbon nanotube to trigger the self-assembly of a rectangular BP ribbon. Along armchair direction should be very close to 2π(r + 0.34)nm, where r is the radius of the CNT used to actuate the self-assembly of the ribbon. To improve the success rate of self-assembly, in this study, we suggest a new scheme to fabricate a BPNT from a parallelogram ribbon, in which the opposite sides are parallel to the third principle direction, rather than the zigzag direction. Two major reasons motivated us to choose CNT to actuate the self-assembly of the BP nanoribbon
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