Effect of Vacancies on the Mechanical Properties of Phosphorene Nanotubes

TL;DR

This study investigates how vacancies affect the mechanical behavior, deformation, and failure of phosphorene nanotubes under tensile strain using computational methods.

Contribution

It provides new insights into the impact of monovacancies and divacancies on phosphorene nanotubes' mechanical properties.

Findings

Vacancies alter the deformation behavior of PNTs.

Vacancies influence the failure mechanisms of PNTs.

Mechanical strength varies with vacancy type and nanotube chirality.

Abstract

Using density functional tight-binding method, we studied the mechanical properties, deformation and failure of armchair (AC) and zigzag (ZZ) phosphorene nanotubes (PNTs) with monovacancies and divacancies subjected to uniaxial tensile strain.