Abstract The interaction of the noble atoms (Ar and Xe) with single-walled carbon nanotube (SWCNT) bundles are investigated using Raman spectroscopy in conjunction with computational modeling known as ReaxFF force field. SWCNT bundles were deposited on transmission electron microscopy (TEM) grids, and different noble gases were adsorbed onto the nanotubes at 20 K. Raman spectra acquired show significant frequency blueshifts of the radial breathing mode (RBM), G- and G′(or 2D)-bands due to gas solidification within the external groove sites (free spaces between the tubes in the bundle) and external surfaces of the bundles. This solid shell formed by the adsorbed gases contributes with a hydrostatic pressure to the system. We show from Raman measurements that the frequencies found after gas adsorption exhibit almost the same shifts indicating that the interactions between SWCNTs bundles and the gases (Ar or Xe) are nearly identical.

中文翻译：

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拉曼光谱揭示惰性气体吸附在单壁碳纳米管束上

摘要 使用拉曼光谱结合称为 ReaxFF 力场的计算模型研究贵原子（Ar 和 Xe）与单壁碳纳米管 (SWCNT) 束的相互作用。SWCNT 束沉积在透射电子显微镜 (TEM) 网格上，不同的惰性气体在 20 K 下吸附到纳米管上。 获得的拉曼光谱显示径向呼吸模式 (RBM)、G-和 G'(或 2D) 的显着频率蓝移)-带由于在外部凹槽位置（管束中管之间的自由空间）和管束的外表面内的气体凝固。这种由吸附气体形成的固体壳对系统产生静水压力。