Arefin Md Shamsul
Department of Electrical Engineering and Computer Science, Northern Arizona University,South San Francisco Street, Flagstaff, AZ 86011, USA.
Nanomaterials (Basel). 2012 Dec 24;3(1):1-21. doi: 10.3390/nano3010001.
This work presents a technique for the chirality (n, m) assignment of semiconducting single wall carbon nanotubes by solving a set of empirical equations of the tight binding model parameters. The empirical equations of the nearest neighbor hopping parameters, relating the term (2n, m) with the first and second optical transition energies of the semiconducting single wall carbon nanotubes, are also proposed. They provide almost the same level of accuracy for lower and higher diameter nanotubes. An algorithm is presented to determine the chiral index (n, m) of any unknown semiconducting tube by solving these empirical equations using values of radial breathing mode frequency and the first or second optical transition energy from resonant Raman spectroscopy. In this paper, the chirality of 55 semiconducting nanotubes is assigned using the first and second optical transition energies. Unlike the existing methods of chirality assignment, this technique does not require graphical comparison or pattern recognition between existing experimental and theoretical Kataura plot.
这项工作提出了一种通过求解紧束缚模型参数的一组经验方程来确定半导体单壁碳纳米管手性（n，m）的技术。还提出了最近邻跳跃参数的经验方程，该方程将项（2n，m）与半导体单壁碳纳米管的第一和第二光学跃迁能量相关联。对于直径较小和较大的纳米管，它们提供了几乎相同的精度水平。提出了一种算法，通过使用径向呼吸模式频率的值以及共振拉曼光谱中的第一或第二光学跃迁能量来求解这些经验方程，从而确定任何未知半导体管的手性指数（n，m）。在本文中，使用第一和第二光学跃迁能量确定了55根半导体纳米管的手性。与现有的手性分配方法不同，该技术不需要在现有的实验和理论片冈图之间进行图形比较或模式识别。
