▎ 摘　　要

In this work, we carry out a computational study on the structure and electronic properties of pentagraphene nanotubes (penta-CNTs), based on a periodic plane wave-pseudopotential approach. We consider chiral structures, among zigzag and armchair structures which were reported previously. Interestingly, the energetic stability (Binding energy per atom or BEA) of chiral penta-CNTs is comparable with (n,n) penta-CNTs. In such manner that chiral (5,10) and (6,3) penta-CNTs displayed structural stability (phonon dispersion curves), while their thermal stability was sustained by Born-Oppenheimer molecular dynamics (BOMD) calculations. Moreover, penta-CNTs displayed bandgap values which are not directly related to their diameters. (C) 2017 Elsevier B.V. All rights reserved.