Investigating the Interaction of Encapsulated Sulfur and Phosphorus Chains with Carbon Nanotubes Using X-Ray Emission Spectroscopy

IF 1.2 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR
A. V. Okotrub, G. I. Semushkina, A. A. Vorfolomeeva, A. V. Gusel’nikov, L. G. Bulusheva, O. V. Sedelnikova
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引用次数: 0

Abstract

The Kα and Kβ X-ray emission spectra of sulfur and phosphorus encapsulated within single-walled carbon nanotubes are measured using a laboratory X-ray spectrometer for the first time. The obtained spectra are compared with those of their bulk counterparts, namely, plastic sulfur and red phosphorus. Models of sulfur and phosphorus chains are constructed both in their free state and when encapsulated in nanotubes. Quantum chemical calculations are performed to analyze the distribution of the 3p electron density in the valence band. A strong correlation is observed between the positions of the theoretical bands and the shapes of the experimental Kβ spectra. By comparing the spectra of free and encapsulated sulfur and phosphorus, we analyze their electronic interactions with the walls of carbon nanotubes. This analysis identifies specific features in the electronic structure of the models that contribute to the observed doping behavior in the nanotubes.

用x射线发射光谱研究包封硫磷链与碳纳米管的相互作用
首次利用实验室x射线光谱仪测量了单壁碳纳米管中硫和磷的Kα和Kβ x射线发射光谱。得到的光谱与它们的体对应物,即塑性硫和红磷的光谱进行了比较。硫和磷链的模型都是在它们的自由状态和被封装在纳米管中时构建的。用量子化学计算分析了价带中3p电子密度的分布。在理论谱带的位置和实验Kβ谱带的形状之间观察到很强的相关性。通过比较游离态和包封态硫磷的光谱,分析了它们与碳纳米管壁的电子相互作用。该分析确定了模型电子结构中的特定特征,这些特征有助于观察到纳米管中的掺杂行为。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Journal of Structural Chemistry
Journal of Structural Chemistry 化学-无机化学与核化学
CiteScore
1.60
自引率
12.50%
发文量
142
审稿时长
8.3 months
期刊介绍: Journal is an interdisciplinary publication covering all aspects of structural chemistry, including the theory of molecular structure and chemical bond; the use of physical methods to study the electronic and spatial structure of chemical species; structural features of liquids, solutions, surfaces, supramolecular systems, nano- and solid materials; and the crystal structure of solids.
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