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半导体和金属[5,5]富勒管纳米线:D(1)-C 和 D(1)-C 的特性研究。

Semiconducting and Metallic [5,5] Fullertube Nanowires: Characterization of Pristine D(1)-C and D(1)-C.

机构信息

Department of Chemistry, Purdue University Fort Wayne, Fort Wayne, Indiana 46805, United States.

Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States.

出版信息

J Am Chem Soc. 2021 Mar 31;143(12):4593-4599. doi: 10.1021/jacs.0c11357. Epub 2021 Mar 18.

Abstract

Although fullerenes were discovered nearly 35 years ago, scientists still struggle to isolate "single molecule" tubular fullerenes larger than C. 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 tubular , also called f ullertubes, was reported. Herein, we describe spectroscopic characterization including C NMR, XPS, and Raman results for purified [5,5] fullertube family members, D-C and D-C. In addition, DFT computational HOMO-LUMO gaps, polarizability indices, and electron density maps were also obtained. The Raman and C NMR results are consistent with semiconducting and metallic properties for D-C and D-C, 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.

摘要

尽管富勒烯被发现已有近 35 年,但科学家们仍难以分离出大于 C 的“单分子”管状富勒烯。同样地,关于原始单壁碳纳米管(SWNTs)的报道也很少。尽管付出了巨大的努力,但这些碳质类别的原始成员的分离和性质仍未得到充分实现。例如,电弧提取物中球形和管状更高富勒烯的丰度较低(<0.01-0.5%),结构异构体的多样性仍然是一个主要挑战。最近,一种新的高管状富勒烯(也称为 f ullertubes)的分离方案被报道。在此,我们描述了包括 C NMR、XPS 和 Raman 结果的光谱特征,用于纯化的[5,5]富勒烯家族成员 D-C 和 D-C。此外,还获得了 DFT 计算的 HOMO-LUMO 间隙、极化率指数和电子密度图。拉曼和 C NMR 结果分别与 D-C 和 D-C 的半导体和金属性质一致。我们的报告表明,具有仅约 1.5-2 的纵横比的短[5,5]富勒烯是金属的,并可能表现出独特的电子性质。

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