The structure of MX3 transition metal trichalcogenides (TMTs, with M a transition metal and X a chalcogen) is typified by one-dimensional (1D) chains weakly bound together via van der Waals interactions. This structural motif is common across a range of M and X atoms (e.g., NbSe3, HfTe3,TaS3), but not all M and X combinations are stable. We report here that three new members of the MX3 family which are not stable in bulk, specifically NbTe3, VTe3, and TiTe3, can be synthesized in the few- (2-4) to single-chain limit via nanoconfined growth within the stabilizing cavity of multiwalled carbon nanotubes. Transmission electron microscopy (TEM) and atomic-resolution scanning transmission electron microscopy (STEM) reveal the chain-like nature and the detailed atomic structure. The synthesized materials exhibit behavior unique to few-chain quasi-1D structures, such as few-chain spiraling and a trigonal antiprismatic rocking distortion in the single-chain limit. Density functional theory (DFT) calculations provide insight into the crystal structure and stability of the materials, as well as their electronic structure.

中文翻译：

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通过纳米管封装稳定 NbTe3、VTe3 和 TiTe3

MX3 过渡金属三硫属元素化物（TMT，M 是过渡金属，X 是硫属元素）的结构以通过范德华相互作用弱结合在一起的一维 (1D) 链为代表。这种结构基序在一系列 M 和 X 原子（例如 NbSe3、HfTe3、TaS3）中很常见，但并非所有 M 和 X 组合都是稳定的。我们在此报告，MX3 家族的三个新成员，特别是 NbTe3、VTe3 和 TiTe3，可以通过稳定腔内的纳米限制生长在少数（2-4）到单链极限内合成多壁碳纳米管。透射电子显微镜 (TEM) 和原子分辨率扫描透射电子显微镜 (STEM) 揭示了链状性质和详细的原子结构。合成的材料表现出少链准一维结构独有的行为，例如少链螺旋和单链极限下的三角反棱镜摇摆畸变。密度泛函理论 (DFT) 计算可以深入了解材料的晶体结构和稳定性，以及它们的电子结构。