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Theoretical studies on lattice-oriented growth of single-walled carbon nanotubes on sapphire

机译：蓝宝石单壁碳纳米管晶格导向的理论研究

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Due to their excellent mechanical and electrical properties, single-walled carbon nanotubes (SWNTs) can find broad applications in many areas, such as field-effect transistors, logic circuits, sensors and flexible electronics. High-density, horizontally aligned arrays of SWNTs are essential for high performance electronics. Many experimental studies have demonstrated that chemical vapor deposition growth of nanotubes on crystalline substrates such as sapphire offers a promising route to achieve such dense, perfectly aligned arrays. In this work, a theoretical study is performed to quantitatively understand the van der Waals interactions between SWNTs and sapphire substrates. The energetically preferred alignment directions of SWNTs on A-, R- and M-planes and the random alignment on the C-plane predicted by this study are all in good agreement with experiments. It is also shown that smaller SWNTs have better alignment than larger SWNTs due to their stronger interaction with sapphire substrate. The strong vdW interactions along preferred alignment directions can be intuitively explained by the nanoscale 'grooves' formed by atomic lattice structures on the surface of sapphire. This study provides important insights to the controlled growth of nanotubes and potentially other nanomaterials.
机译：由于其优异的机械和电特性，单壁碳纳米管（SWNT）可以找到在许多领域具有广泛的应用，如场效应晶体管，逻辑电路，传感器和柔性电子。高密度，单壁碳纳米管的水平对准的阵列对于高性能电子器件必不可少的。许多实验研究已经证明，在晶体基片的纳米管的化学气相沉积生长诸如蓝宝石提供一个有希望的途径来实现，例如致密的，完全对齐阵列。在这项工作中，理论研究被执行以定量地理解范德SWNTs和蓝宝石衬底之间耳斯相互作用。通过这项研究预计在A-，R和M-面和C面的随机排列的单壁碳纳米管的大力首选走线方向都与实验结果吻合。它也表明，较小的单壁碳纳米管由于与蓝宝石基板的更强的相互作用具有大于单壁碳纳米管更好的对准。沿优选的取向方向的强范德华相互作用可以通过由原子晶格结构蓝宝石的表面上形成纳米级的“槽”被直观地说明。这项研究提供了碳纳米管和潜在的其他纳米材料的可控生长的重要见解。

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