Abstract
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.
Highlights
Semiconducting single wall carbon nanotubes (SWCNTs) already emerged as a promising candidate for photovoltaic applications [1,2,3,4,5,6], opto-electronics [7,8], and molecular electronics [9,10,11]
This paper presents an empirical equation based novel technique for SWCNT chirality assignment where the chiral index (n, m) can be directly found by solving the empirical equations of the nearest neighbor hopping parameters
All the prediction made using the current proposed method match with the CNT determination made in the published papers
Summary
Semiconducting single wall carbon nanotubes (SWCNTs) already emerged as a promising candidate for photovoltaic applications [1,2,3,4,5,6], opto-electronics [7,8], and molecular electronics [9,10,11]. A number of advanced applications such as transistor memory [9], field-effect transistors [10], and near-infrared optical sensors [11] require nanotube samples with little or no structural variation. (commonly termed as mod 1 or mod 2 type, respectively) [12]. This relation is always found true except for SWCNT with a very small diameter, where curvature effect dominates its properties [13]. Identification of spectroscopic features and correlating them with nanotube geometric structure is always necessary to separate, sort, and identify nanotubes after their production [12,16]
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