Hollow nanostructures are widely used in chemistry, materials, and bioscience due to their excellent electrochemical and photoelectric properties. Recently, hollow fullerene nanostructures with tailored opening and shapes have been synthesized. Here, the transport properties of two‐node hollow‐fullerene‐based nanoelectronic devices, and their performance are studied for sensing the greenhouse gas molecule, CF₄, by density functional theory combined with nonequilibrium Green's function formalism. It is found that such a device has a high sensitivity to CF₄ molecules in both dry and humid environments owing to its good selectivity to H₂O molecules. The microscopic physics responsible for these fascinating properties are investigated by the transmission spectra, density of states, and voltage drop. This work paves a way to build new functional electronic devices based on the newly discovered hollow nanostructures.

中文翻译：

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基于两节点空心富勒烯的CF4气体分子的高灵敏度和选择性传感器

中空纳米结构因其优异的电化学和光电性能而广泛用于化学，材料和生物科学。最近，已经合成了具有定制的开口和形状的空心富勒烯纳米结构。在此，通过密度泛函理论和非平衡格林函数形式论，研究了基于两节点空心富勒烯的纳米电子器件的传输特性及其在感测温室气体分子CF _4方面的性能。发现这种装置由于其对H _2的良好选择性而在干燥和潮湿环境中均对CF ₄分子具有高灵敏度。O分子。通过透射光谱，状态密度和电压降来研究导致这些引人入胜的特性的微观物理学。这项工作为基于新发现的中空纳米结构构建新功能电子设备铺平了道路。