Semiconducting and Metallic [5,5] Fullertube Nanowires: Characterization of Pristine D 5h (1)-C 90 and D 5d (1)-C 100
Semiconducting and Metallic [5,5] Fullertube Nanowires: Characterization of Pristine D 5h (1)-C 90 and D 5d (1)-C 100
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半导体和金属 [5,5] Fullertube 纳米线：原始 D 5h (1)-C 90 和 D 5d (1)-C 100 的表征
DOI：
10.1021/jacs.0c11357
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发表时间：
2021
影响因子：
15
通讯作者：
Feng, Xu
中科院分区：
文献类型：
--
作者：
Stevenson, Steven;Liu, Xiaoyang;Sublett, D. Mathew;Koenig, Ryan M.;Seeler, Tiffany L.;Tepper, Katelyn R.;Franklin, Hannah M.;Wang, Xiaoling;Huang, Rong;Feng, Xu
尽管富勒烯在近35年前就被发现了，但科学家们仍然难以分离出大于C90的“单分子”管状富勒烯。类似地，关于原始单壁碳纳米管（SWNTs）的报道也很少。尽管作出了巨大的努力，这些碳质类的原始成员的分离和性质在很大程度上仍然没有实现。例如，电弧提取物中球形和管状高级富勒烯的丰度低（<0.01 - 0.5%）和结构异构体的多样性仍然是一个主要挑战。最近，报道了一种新的分离高度管状富勒烯（也称为富勒烯管）的方法。在此，我们描述了光谱表征，包括13 C NMR，XPS，和拉曼结果纯化的[5，5]富勒管家族成员，D5h-C90和D5d-C100。此外，DFT计算HOMO-LUMO间隙，极化率指数，和电子密度图也得到了。拉曼和13 C NMR结果分别与D5h-C90和D5d-C100的半导体和金属性质一致。我们的报告表明，短[5，5]富勒管的纵横比只有1.5 - 2是金属，并可能表现出独特的电子性能。
Although fullerenes were discovered nearly 35 years ago, scientists still struggle to isolate “single molecule” tubular fullerenes larger than C90. In similar fashion, there is a paucity of reports for pristine single-walled carbon nanotubes (SWNTs). In spite of Herculean efforts, the isolation and properties of pristine members of these carbonaceous classes remain largely unfulfilled. For example, the low abundance of spherical and tubular higher fullerenes in electric-arc extracts (<0.01–0.5%) and multiplicity of structural isomers remain a major challenge. Recently, a new isolation protocol for highly tubularfullerenes, also called f ullertubes, was reported. Herein, we describe spectroscopic characterization including13C NMR, XPS, and Raman results for purified [5,5] fullertube family members, D5h-C90and D5d-C100. In addition, DFT computational HOMO–LUMO gaps, polarizability indices, and electron density maps were also obtained. The Raman and13C NMR results are consistent with semiconducting and metallic properties for D5h-C90and D5d-C100, respectively. Our report suggests that short [5,5] fullertubes with aspect ratios of only ∼1.5–2 are metallic and could exhibit unique electronic properties.