Ghashami Gholamreza, Moghimi Zand Mahdi, Mahnama Maryam, Allaei S Mehdi Vaez, López-Suárez Miquel
Department of Mechanical Engineering, School of Engineering, University of Tehran, 14399-55961, Tehran, Iran.
Small Medical Devices, BioMEMS & LoC Lab, Department of Mechanical Engineering, School of Engineering, University of Tehran, 14399-55961, Tehran, Iran.
Nanotechnology. 2024 Jan 15;35(14). doi: 10.1088/1361-6528/ad0052.
The growing demand for self-powered systems and the slow progress in energy storage devices have led to the emergence of piezoelectric materials as a promising solution for energy harvesting. This study aims to investigate the effects of chirality, length, and strain rate on the piezoelectric potential of boron nitride nanotubes (BNNTs) through molecular dynamics simulation. Accurate data and guidance are provided to explain the piezoelectricity of chiral nanotubes, as the piezoelectric potentials of these nanotubes have previously remained unclear. The present study focuses on calculating the effect of these parameters based on the atomic model. The observed results stem from the frequencies and internal deformations, as the axial frequencies and deformations exhibit more substantial modifications compared to transverse directions. The piezoelectricity was found to depend on chirality, with the order of BNNT piezoelectricity sufficiency being in the sequence of zigzag > chirality > armchair configurations. The length of the BNNTs was also found to influence piezoelectricity, while the strain rate had no effect. The results also indicate that BNNTs can generate power in the milliwatts range, which is adequate for low-power electronic devices and Internet of Things applications. This research provides valuable insights into the piezoelectricity of chiral nanotubes and offers guidance for designing efficient energy harvesting devices.
对自供电系统不断增长的需求以及储能设备进展缓慢，促使压电材料成为一种很有前景的能量收集解决方案。本研究旨在通过分子动力学模拟研究手性、长度和应变速率对氮化硼纳米管（BNNTs）压电势的影响。由于手性纳米管的压电势此前一直不清楚，因此本研究提供了准确的数据和指导来解释手性纳米管的压电性。本研究重点基于原子模型计算这些参数的影响。观察到的结果源于频率和内部变形，因为轴向频率和变形与横向方向相比表现出更显著的变化。发现压电性取决于手性，BNNT压电性充足程度的顺序为锯齿形＞手性＞扶手椅构型。还发现BNNTs的长度会影响压电性，而应变速率没有影响。结果还表明，BNNTs可以产生毫瓦级的功率，这对于低功率电子设备和物联网应用来说已经足够。这项研究为手性纳米管的压电性提供了有价值的见解，并为设计高效的能量收集设备提供了指导。
