posted on 2017-04-20, 00:00authored byKun Cai, Lingnan Liu, Jiao Shi, Qing H. Qin
Nanotube synthesizing
from black phosphorus (BP) is still challenging
in laboratory. Fabricating a BP nanotube by self-assembling of a BP
nanoribbon seems promising. To estimate the feasibility of such fabrication
method, this study performs numerical experiments of self-assembling
a jammed BP ribbon on a fixed carbon nanotube using molecular dynamics
simulation. The study is based on the following two facts: The phosphorus–phosphorus
(P–P) bond is weaker than the bond of carbon–carbon
(C–C) and the van der Waals interaction among nonbonding phosphorus
atoms is stronger than that between phosphorus atoms and carbon atoms.
The results show that when a longer BP ribbon is jammed by a shorter
BP ribbon the self-assembling result depends on the relative positions
of carbon nanotube (CNT) and the two BP ribbons. Only when the shorter
BP ribbon is on the outside of the longer ribbon can the longer BP
ribbon be wound on the CNT to form an ideal BP nanotube. The finding
is helpful for practical applications of BP nanotubes in nanodevices.