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Title: Stabilization of NbTe3, VTe3, and TiTe3 via Nanotube Encapsulation

Abstract

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.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2];  [3];  [4];  [4];  [5]; ORCiD logo [5];  [2]; ORCiD logo [1]
  1. Univ. of California, Berkeley, CA (United States). Kavli Energy NanoSciences Inst.; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  3. Univ. of California, Berkeley, CA (United States). Kavli Energy NanoSciences Inst.
  4. Univ. of California, Berkeley, CA (United States)
  5. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Center for Electron Microscopy
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1670138
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Journal of the American Chemical Society
Additional Journal Information:
Journal Volume: 143; Journal Issue: 12; Journal ID: ISSN 0002-7863
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Mass spectrometry; Electronic structure; Encapsulation; Carbon nanotubes; Materials

Citation Formats

Stonemeyer, Scott, Cain, Jeffrey D., Oh, Sehoon, Azizi, Amin, Elasha, Malik, Thiel, Markus, Song, Chengyu, Ercius, Peter, Cohen, Marvin L., and Zettl, Alex. Stabilization of NbTe3, VTe3, and TiTe3 via Nanotube Encapsulation. United States: N. p., 2020. Web. doi:10.1021/jacs.0c10175.
Stonemeyer, Scott, Cain, Jeffrey D., Oh, Sehoon, Azizi, Amin, Elasha, Malik, Thiel, Markus, Song, Chengyu, Ercius, Peter, Cohen, Marvin L., & Zettl, Alex. Stabilization of NbTe3, VTe3, and TiTe3 via Nanotube Encapsulation. United States. https://doi.org/10.1021/jacs.0c10175
Stonemeyer, Scott, Cain, Jeffrey D., Oh, Sehoon, Azizi, Amin, Elasha, Malik, Thiel, Markus, Song, Chengyu, Ercius, Peter, Cohen, Marvin L., and Zettl, Alex. Tue . "Stabilization of NbTe3, VTe3, and TiTe3 via Nanotube Encapsulation". United States. https://doi.org/10.1021/jacs.0c10175. https://www.osti.gov/servlets/purl/1670138.
@article{osti_1670138,
title = {Stabilization of NbTe3, VTe3, and TiTe3 via Nanotube Encapsulation},
author = {Stonemeyer, Scott and Cain, Jeffrey D. and Oh, Sehoon and Azizi, Amin and Elasha, Malik and Thiel, Markus and Song, Chengyu and Ercius, Peter and Cohen, Marvin L. and Zettl, Alex},
abstractNote = {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.},
doi = {10.1021/jacs.0c10175},
journal = {Journal of the American Chemical Society},
number = 12,
volume = 143,
place = {United States},
year = {Tue Dec 01 00:00:00 EST 2020},
month = {Tue Dec 01 00:00:00 EST 2020}
}

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