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首页> 外文期刊>Physica status solidi, B. Basic research >The origin of nondispersive Raman lines in the D-band region for ferrocene@HiPco SWCNTs transformed at high temperatures
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The origin of nondispersive Raman lines in the D-band region for ferrocene@HiPco SWCNTs transformed at high temperatures

机译：二茂铁@HiPco SWCNT在高温下转变的D波段区域中非分散拉曼线的起源

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摘要

Small diameter single-walled carbon nanotubes can be filled with carbon-rich molecules if the latter are small enough. For HiPco tubes ferrocene turned out to be appropriate. After filling and high temperature treatment (transformation) new Raman lines are observed. Here we show that these lines appear also for small diameter DIPS tubes after similar temperature treatment and that all new lines originate from one special molecule. This molecule has a C=C stretch vibration at 1597 cm(-1) observed on top of the G-line components of the tubes. Mass spectra from the transformed tube material revealed compounds with masses of the order of 500-750 Da which are typical for large organic molecules. Experiments with isotope labeled ferrocene showed characteristic changes of the Raman response which extend beyond the consequences of a simple change of atomic masses. DFT calculations using B3LYP functionals revealed that narrow width and short length carbon nanoribbons such as quaterrylene or dimeric PTCDA are possible candidates for the new molecules. (C) 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
机译：如果富碳分子足够小，则小直径的单壁碳纳米管可以充满富碳分子。对于HiPco管，二茂铁被证明是合适的。在填充和高温处理（转变）之后，观察到新的拉曼线。在这里，我们表明，在类似的温度处理之后，这些线也出现在小直径DIPS管上，并且所有新线都源自一个特殊分子。在试管的G线组件顶部观察到，此分子在1597 cm（-1）处具有C = C拉伸振动。来自转化管材料的质谱图揭示了质量为500-750 Da的化合物，这些化合物通常用于大型有机分子。用同位素标记的二茂铁进行的实验表明，拉曼响应的特征变化超出了原子质量简单变化的后果。使用B3LYP官能团进行的DFT计算表明，窄宽度和短长度的碳纳米带（例如四萘嵌苯或二聚PTCDA）可能是新分子的候选对象。 （C）2015 WILEY-VCH Verlag GmbH＆Co.KGaA，Weinheim

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