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首页> 外文期刊>Physical chemistry chemical physics: PCCP >Electromechanical properties of 1D ZnO nanostructures: nanopiezotronics building blocks, surface and size-scale effects
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Electromechanical properties of 1D ZnO nanostructures: nanopiezotronics building blocks, surface and size-scale effects

机译：一维ZnO纳米结构的机电性能：纳米压电构建基块，表面和尺寸尺度效应

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One-dimensional (1D) zinc oxide nanostructures are the main components of nanogenerators and central to the emerging field of nanopiezotronics. Understanding the underlying physics and quantifying the electromechanical properties of these structures, the topic of this research study, play a major role in designing next-generation nanoelectromechanical devices. Here, atomistic simulations are utilized to study surface and size-scale effects on the electromechanical response of 1D ZnO nanostructures. It is shown that the mechanical and piezoelectric properties of these structures are controlled by their size, cross-sectional geometry, and loading configuration. The study reveals enhancement of the piezoelectric and elastic modulus of ZnO nanowires (NW) with diameter d > 1 nm, followed by a sudden drop for d < 1 nm due to transformation of NWs to nanotubes (NTs). Degradation of mechanical and piezoelectric properties of ZnO nanobelts (NBs) followed by an enhancement in piezoelectric properties occurs when their lower dimension is reduced to <1 nm. The latter enhancement can be explained in the context of surface reconfiguration and formation of hexagon-tetragon (HT) pairs at the intersection of (2110) and (0110) planes in NBs. Transition from a surface-reconstructed dominant to a surface-relaxed dominant region is demonstrated for lateral dimensions <1 nm. New phase-transformation (PT) kinetics from piezoelectric wurtzite to nonpiezoelectric body-centered tetragonal (WZ → BCT) and graphite-like phase (WZ → HX) structures occurs in ZnO NWs loaded up to large strains of ～10%.
机译：一维（1D）氧化锌纳米结构是纳米发电机的主要组成部分，是纳米压电技术新兴领域的中心。这项研究的主题是了解底层物理原理并量化这些结构的机电性能，在设计下一代纳米机电设备中起主要作用。在这里，原子模拟被用来研究表面和尺寸尺度效应对一维ZnO纳米结构的机电响应的影响。结果表明，这些结构的机械和压电性能受其尺寸，横截面几何形状和载荷构型控制。研究发现直径d> 1 nm的ZnO纳米线（NW）的压电模量和弹性模量得到增强，随后由于nWs向纳米管（NTs）的转变，d <1 nm突然下降。当ZnO纳米带（NBs）的较小尺寸减小到<1 nm时，其机械和压电性能会下降，随后压电性能会增强。后者的增强可以在NB中的（2110）和（0110）平面相交处的表面重构和六边形-四边形（HT）对形成的背景下进行解释。对于小于1 nm的横向尺寸，证明了从表面重构的主区域到表面松弛的主区域的过渡。从压电纤锌矿到以非压电体为中心的四边形（WZ→BCT）和类石墨相（WZ→HX）的新相变动力学在载有约10％大应变的ZnO NW中发生。

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