氮化硼纳米管内单壁碳纳米管的拉曼光谱研究

A. Nassir, B. Fakrach, A. Rahmani, S. Abdelkader, M. Boutahir, H. Chadli, A. Rahmani
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引用次数: 0

摘要

计算了单壁氮化硼纳米管(SWBNNT)内单壁碳纳米管(SWCNT)的极化拉曼光谱,并将其作为其直径和手性的函数。谱矩法是测定谐振系统的振动谱(红外吸收谱、拉曼散射谱和非弹性中子散射谱)的有力工具。在力常数模型的框架下,利用谱矩法(SMM)计算了双壁杂化纳米结构SWCNT内部SWBNNT (SWCNT@SWBNNT)的振动特性。为了描述混合系统中内外管之间的范德华相互作用,我们使用了Lennard-Jones势。这些预测对解释实验数据是有用的。
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Vibrational Properties of Single Wall Carbon Nanotubes inside Boron nitride Nanotubes using Raman spectroscopy
Polarized Raman spectra of single-walled carbon nanotube (SWCNT) inside single-walled boron nitride nanotube (SWBNNT) are calculated as a function of their diameter and chirality. The spectral moment’s method was shown to be a powerful tool for determining vibrational spectra (infrared absorption, Raman scattering and inelastic neutron-scattering spectra) of harmonic systems. The calculations of vibrational properties of double-walled hybrid nanostructures SWCNT inside SWBNNT (SWCNT@SWBNNT) are performed in the framework of the force constants model, using the spectral moment’s method (SMM). To describe the Van der Waals interactions between inner and outer tubes in hybrid systems, we used a Lennard-Jones potential. These predictions are useful to interpret the experimental data.
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