Gong S, Zhu Z H
Department of Earth and Space Science and Engineering, York University, 4700 Keele Street, Toronto, ON M3J 1P3, Canada.
Nanoscale. 2015 Jan 28;7(4):1339-48. doi: 10.1039/c4nr05656f.
High piezoresistivity is critical for multifunctional carbon nanotube polymer composites with sensing capability. By developing a new percolation network model, this work reveals theoretically that a giant piezoresistivity in the composites can be potentially achieved by controlled nanotube alignment resulting from field based alignment techniques. The tube-tube and/or tube-matrix interaction in conjunction with the aligned carbon nanotube networks are fully considered in the newly proposed model. The structural distortion of nanotubes is determined self-consistently by minimizing the pseudo-potential energy at crossed-tube junctions based on the Lennard-Jones potential and simulation of coarse grain molecular dynamics. The tunneling transport through crossed-tube junctions is calculated by the Landauer-Büttiker formula with empirical fitting by first-principle calculation. The simulation results also reveal that the piezoresistivity can be further improved by using low carbon nanotube loadings near the percolation threshold, carbon nanotubes with a small aspect ratio, high intrinsic conductivity and polymers with a small Poisson's ratio. This giant piezoresistive effect offers a tremendously promising future, which needs further thorough exploration.
高压阻率对于具有传感能力的多功能碳纳米管聚合物复合材料至关重要。通过开发一种新的渗流网络模型,这项工作从理论上揭示了通过基于场的排列技术控制纳米管排列,复合材料中可能实现巨大的压阻率。新提出的模型充分考虑了管-管和/或管-基体相互作用以及排列的碳纳米管网络。基于 Lennard-Jones 势和粗粒分子动力学模拟,通过最小化交叉管结处的伪势能自洽地确定纳米管的结构畸变。通过 Landauer-Büttiker 公式并结合第一性原理计算的经验拟合来计算通过交叉管结的隧穿输运。模拟结果还表明,通过在渗流阈值附近使用低碳纳米管负载量、小长径比的碳纳米管、高本征电导率以及小泊松比的聚合物,可以进一步提高压阻率。这种巨大的压阻效应提供了一个极具前景的未来,需要进一步深入探索。