A comparative simulation study of piezoelectric properties in zigzag and armchair boron nitride nanotubes: by discovering a pioneering protocol

Abstract

Piezoelectric nanostructures have attracted significant attention owing to their capacity for converting mechanical energy into electrical energy, enabling applications in biomedical fields, actuators, and energy harvesting devices. Boron nitride nanotubes (BNNTs) exhibit unique properties that make them attractive candidates for piezoelectric applications. However, the influence of BNNT chiralities on their piezoelectric behavior has not been thoroughly explored. In this study, we investigated the piezoelectric effect of zigzag and armchair chiralities of BNNT structures, aiming to elucidate the relationship between chirality and piezoelectric response by discovering a novel protocol for simulating the electrical behavior of BNNTs at the nanoscale level. We employed a computational method to examine the piezoelectric potential of BNNT structures. First, we established an equivalent-sized three-dimensional (3D) model of zigzag and armchair BNNT structures using nanotube modeler software. The obtained models were then subjected to mesh analysis to generate finite element method simulations. The simulations were finally performed to analyze the electrical response of the BNNT structures under external mechanical forces. We observed that the electrical responses of zigzag BNNT were 1.6 times greater than armchair one. In conclusion, our study sheds light on the piezoelectric potential of zigzag and armchair chiralities of BNNT structures. Furthermore, our findings contribute to the understanding of the electrical properties of BNNTs and their potential for various medical and industrial applications. The knowledge gained from this study provides a foundation for further research and development in the field of piezoelectric nanostructures, paving the way for innovative advancements in nanotechnology.