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Title: A new halospinel superionic conductor for high-voltage all solid state lithium batteries

Abstract

We report a new Li-superionic chloride, Li2Sc2/3Cl4, that crystallizes in a disordered spinel structure, and exhibits an ionic conductivity of 1.5 mS cm–1 with a low activation energy barrier for Li+ ion diffusion of 0.34 eV. Here, this material is the first spinel-type superionic halide. Structural elucidation via powder neutron diffraction reveals a significantly disordered Li+-ion distribution over available tetrahedral and octahedral sites within the lattice, forming an infinitely 3D connected Li+ ion diffusion pathway comprised of face-sharing octahedra and tetrahedra. Due to the high oxidative stability of Li2Sc2/3Cl4, all solid state lithium batteries employing Li2Sc2/3Cl4 and high voltage cathodes (LiCoO2, LiNi0.6Mn0.2Co0.2O2 or high-Ni LiNi0.85Mn0.1Co0.05O2) – without any coating – exhibit excellent electrochemical performance up to 4.6 V in terms of capacity retention and cycle life.

Authors:
 [1];  [1];  [1]; ORCiD logo [2];  [3];  [1]
  1. University of Waterloo, ON (Canada)
  2. Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
  3. BASF SE, Ludwigshafen (Germany)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1657953
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Energy & Environmental Science
Additional Journal Information:
Journal Volume: 13; Journal Issue: 7; Journal ID: ISSN 1754-5692
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE

Citation Formats

Zhou, Laidong, Kwok, Chun Yuen, Shyamsunder, Abhinandan, Zhang, Qiang, Wu, Xiaohan, and Nazar, Linda F. A new halospinel superionic conductor for high-voltage all solid state lithium batteries. United States: N. p., 2020. Web. https://doi.org/10.1039/D0EE01017K.
Zhou, Laidong, Kwok, Chun Yuen, Shyamsunder, Abhinandan, Zhang, Qiang, Wu, Xiaohan, & Nazar, Linda F. A new halospinel superionic conductor for high-voltage all solid state lithium batteries. United States. https://doi.org/10.1039/D0EE01017K
Zhou, Laidong, Kwok, Chun Yuen, Shyamsunder, Abhinandan, Zhang, Qiang, Wu, Xiaohan, and Nazar, Linda F. Wed . "A new halospinel superionic conductor for high-voltage all solid state lithium batteries". United States. https://doi.org/10.1039/D0EE01017K. https://www.osti.gov/servlets/purl/1657953.
@article{osti_1657953,
title = {A new halospinel superionic conductor for high-voltage all solid state lithium batteries},
author = {Zhou, Laidong and Kwok, Chun Yuen and Shyamsunder, Abhinandan and Zhang, Qiang and Wu, Xiaohan and Nazar, Linda F.},
abstractNote = {We report a new Li-superionic chloride, Li2Sc2/3Cl4, that crystallizes in a disordered spinel structure, and exhibits an ionic conductivity of 1.5 mS cm–1 with a low activation energy barrier for Li+ ion diffusion of 0.34 eV. Here, this material is the first spinel-type superionic halide. Structural elucidation via powder neutron diffraction reveals a significantly disordered Li+-ion distribution over available tetrahedral and octahedral sites within the lattice, forming an infinitely 3D connected Li+ ion diffusion pathway comprised of face-sharing octahedra and tetrahedra. Due to the high oxidative stability of Li2Sc2/3Cl4, all solid state lithium batteries employing Li2Sc2/3Cl4 and high voltage cathodes (LiCoO2, LiNi0.6Mn0.2Co0.2O2 or high-Ni LiNi0.85Mn0.1Co0.05O2) – without any coating – exhibit excellent electrochemical performance up to 4.6 V in terms of capacity retention and cycle life.},
doi = {10.1039/D0EE01017K},
journal = {Energy & Environmental Science},
number = 7,
volume = 13,
place = {United States},
year = {2020},
month = {6}
}

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