论文标题

NBTE3,VTE3和TITE3通过纳米管的稳定化

Stabilization of NbTe3, VTe3, and TiTe3 via Nanotube Encapsulation

论文作者

Stonemeyer, Scott, Cain, Jeffrey D., Oh, Sehoon, Azizi, Amin, Elasha, Malik, Thiel, Markus, Song, Chengyu, Ercius, Peter, Cohen, Marvin L., Zettl, Alex

论文摘要

MX3过渡金属trichalcogenide(带有M a跃迁金属和X A chalcogen)的结构由一维(1D)链通过Van der Waals的相互作用薄弱地结合在一起。这种结构基序是在一系列M和X原子(例如NBSE3,HFTE3,TAS3)中常见的,但并非所有M和X组合都是稳定的。我们在这里报告说,MX3家族的三个新成员在批量上不稳定,特别是NBTE3,VTE3和TITE3,可以通过纳米限制的生长在多壁碳纳米管的稳定腔内通过纳米限制的生长来合成。透射电子显微镜(TEM)和原子分辨率扫描透射电子显微镜(STEM)揭示了类似链的性质和详细的原子结构。合成的材料表现出对几个链准1D结构独有的行为,例如多链螺旋和单链极限中的三角抗弹力摇摆失真。密度功能理论(DFT)计算提供了有关材料及其电子结构的晶体结构和稳定性的见解。

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- to single-chain limit via nano-confined growth within the stabilizing cavity of multi-walled 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 multi-chain spiraling and a trigonal anti-prismatic 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.

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