Stabilization of NbTe3, VTe3, and TiTe3 via Nanotube Encapsulation.
Stabilization of NbTe3, VTe3, and TiTe3 via Nanotube Encapsulation.
复制标题
DOI：
10.1021/jacs.0c10175
复制
发表时间：
2020-09
影响因子：
15
通讯作者：
Scott Stonemeyer;Jeffrey D. Cain;Sehoon Oh;A. Azizi;Malik Elasha;M. Thiel;C. Song;P. Ercius;M. Cohen;A. Zettl
中科院分区：
文献类型：
--
作者：
Scott Stonemeyer;Jeffrey D. Cain;Sehoon Oh;A. Azizi;Malik Elasha;M. Thiel;C. Song;P. Ercius;M. Cohen;A. Zettl
MX3过渡金属三硫属化物（TMT，其中M为过渡金属，X为硫属元素）的结构典型地为通过货车德瓦尔斯相互作用弱结合在一起的一维（1D）链。这种结构基序在M和X原子的范围内是常见的（例如，NbSe 3、HfTe 3、TaS 3），但并非所有的M和X组合都是稳定的。我们在这里报告，MX3家族的三个新成员，这是不稳定的散装，具体NbTe 3，VTe 3，和TiTe 3，可以合成在几个-（2-4）到单链限制通过nanobolized增长内的稳定腔的多壁碳纳米管。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。合成的材料表现出独特的行为少链准一维结构，如少链螺旋和三角反棱柱摇摆变形的单链限制。密度泛函理论（DFT）计算提供了对材料的晶体结构和稳定性以及它们的电子结构的深入了解。
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- (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.