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Experimental determination of excitonic band structures of single-walled carbon nanotubes using circular dichroism spectra

机译:利用圆二色光谱实验确定单壁碳纳米管的激子能带结构

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摘要

Experimental band structure analyses of single-walled carbon nanotubes have not yet been reported, to the best of our knowledge, except for a limited number of reports using scanning tunnelling spectroscopy. Here we demonstrate the experimental determination of the excitonic band structures of single-chirality single-walled carbon nanotubes using their circular dichroism spectra. In this analysis, we use gel column chromatography combining overloading selective adsorption with stepwise elution to separate 12 different single-chirality enantiomers. Our samples show higher circular dichroism intensities than the highest values reported in previous works, indicating their high enantiomeric purity. Excitonic band structure analysis is performed by assigning all observed Eii and Eij optical transitions in the circular dichroism spectra. The results reproduce the asymmetric structures of the valence and conduction bands predicted by density functional theory. Finally, we demonstrate that an extended empirical formula can estimate Eij optical transition energies for any (n,m) species.
机译:据我们所知,单壁碳纳米管的实验能带结构分析尚未见报道,但使用扫描隧道光谱法的报道数量有限。在这里,我们证明了使用单手性单壁碳纳米管的圆二色性光谱进行激子能带结构的实验确定。在此分析中,我们使用凝胶柱色谱法,将重载的选择性吸附与逐步洗脱相结合,以分离出12种不同的单手性对映体。我们的样品显示出比以前工作中报道的最高值更高的圆二色性强度,表明它们的高对映体纯度。通过在圆二色性光谱中分配所有观察到的Eii和Eij光学跃迁来进行激子能带结构分析。结果再现了由密度泛函理论预测的价带和导带的不对称结构。最后,我们证明了扩展的经验公式可以估算任何(n,m)物种的Eij光学跃迁能。

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