标题： 一种将芳香烃分子转化为限域在单壁碳纳米管内的卡宾的普适方法 显示英文标题

标题： A Universal Method to Transform Aromatic Hydrocarbon Molecules into Confined Carbyne inside Single-Walled Carbon Nanotubes

摘要： 碳炔是一种sp1杂化的碳同素异形体，是一种具有线性结构的碳链，其理论上预测的性能超过了sp2杂化的石墨烯和碳纳米管（CNTs）。然而，由于Peierls畸变引起的不稳定性，碳炔的存在一直存在争议，这限制了它的实际发展。迄今为止，唯一成功的碳炔合成是在CNTs内部实现的，得到了一种被称为受限碳炔（CC）的形式。然而，CC只能在多壁碳纳米管内部合成，限制了其性质调节能力到CNTs的内管。在这里，我们提出了一种通用的方法，在直径为0.9-1.3纳米的单壁碳纳米管（SWCNTs）内部合成CC。芳香族碳氢化合物分子被填充到SWCNTs中，并在低温退火后转化为CC。各种芳香族碳氢化合物分子都被证实是形成CC的有效前体，拉曼频率集中在1861 cm⁻¹左右。直径小于0.8纳米的富集(6,5)和(7,6) SWCNTs对于CC的形成不如直径为0.9-1.3纳米的SWCNTs有效。此外，共振拉曼光谱显示，1861 cm⁻¹处CC的光学带隙为2.353 eV，这与使用拉曼信号和光学带隙之间的线性关系得到的结果一致。这一新开发的方法提供了一条通用途径，可以从各种前体分子通过不同模板（不仅限于SWCNTs，还可以扩展到任何适当尺寸的模板，包括分子筛、沸石、氮化硼纳米管和金属有机框架）合成CC。 显示英文摘要

摘要： Carbyne, a sp1-hybridized allotrope of carbon, is a linear carbon chain with exceptional theoretically predicted properties that surpass those of sp2-hybridized graphene and carbon nanotubes (CNTs). However, the existence of carbyne has been debated due to its instability caused by Peierls distortion, which limits its practical development. The only successful synthesis of carbyne has been achieved inside CNTs, resulting in a form known as confined carbyne (CC). However, CC can only be synthesized inside multi-walled CNTs, limiting its property-tuning capabilities to the inner tubes of the CNTs. Here, we present a universal method for synthesizing CC inside single-walled carbon nanotubes (SWCNTs) with diameter of 0.9-1.3 nm. Aromatic hydrocarbon molecules are filled inside SWCNTs and subsequently transformed into CC under low-temperature annealing. A variety of aromatic hydrocarbon molecules are confirmed as effective precursors for formation of CC, with Raman frequencies centered around 1861 cm-1. Enriched (6,5) and (7,6) SWCNTs with diameters less than 0.8 nm are less effective than the SWCNTs with diameter of 0.9-1.3 nm for CC formation. Furthermore, resonance Raman spectroscopy reveals that optical band gap of the CC at 1861 cm-1 is 2.353 eV, which is consistent with the result obtained using a linear relationship between the Raman signal and optical band gap. This newly developed approach provides a versatile route for synthesizing CC from various precursor molecules inside diverse templates, which is not limited to SWCNTs but could extend to any templates with appropriate size, including molecular sieves, zeolites, boron nitride nanotubes, and metal-organic frameworks.