3.1 Conformational and electronic features of
Kagome-Phosphorene nanotube
The bulk form of Kagome phosphorene nanosheet is belongs to the space
group P-2M1 (164). The optimized lattice constant for single layer
Kagome phosphorene nanosheet is computed to be a=b=5.517 Å, which is
validated with previous reports (5.52 Å [32]). Further, the bond
distance among phosphorous atoms in Kagome phosphorene is found to be
2.24 Å. A single layer of Kagome-form of phosphorene that is
encompassing both the α-P and β-P form in its skeletal structure is
preferred for the present research. The above optimized Kagome
phosphorene then wrapped around with a chiral index (0,14) so that the
Kagome-form of Phosphorene nanotube is formed (Kagome-PNT). The
fundamental component of the current research – Kagome-PNT is
pictorially displayed in Fig. 1. Two views are represented – one is an
exact top sight which is portraying the α-P form (puckered structure)
and another one is side sight which is depicting the triangle of P atoms
in two levels (upper and lower).