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Title: Enhanced ionic conductivity with Li 7O 2Br 3 phase in Li 3OBr anti-perovskite solid electrolyte

Cubic anti-perovskites with general formula Li 3OX (X = Cl, Br, I) were recently reported as superionic conductors with the potential for use as solid electrolytes in all-solid-state lithium ion batteries. These electrolytes are nonflammable, low-cost, and suitable for thermoplastic processing. However, the primary obstacle of its practical implementation is the relatively low ionic conductivity at room temperature. In this work, we synthesized a composite material consisting of two anti-perovskite phases, namely, cubic Li 3OBr and layered Li 7O 2Br 3, by solid state reaction routes. The results indicate that with the phase fraction of Li 7O 2Br 3 increasing to 44 wt. %, the ionic conductivity increased by more than one order of magnitude compared with pure phase Li 3OBr. Formation energy calculations revealed the meta-stable nature of Li 7O 2Br 3, which supports the great difficulty in producing phase-pure Li 7O 2Br 3 at ambient pressure. Here, methods of obtaining phase-pure Li 7O 2Br 3 will continue to be explored, including both high pressure and metathesis techniques.
Authors:
 [1] ;  [1] ;  [1] ;  [1] ;  [2] ;  [3] ;  [1] ; ORCiD logo [1] ;  [1] ;  [4]
  1. Univ. of Nevada, Las Vegas, NV (United States)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  3. Univ. of Texas at Austin, Austin, TX (United States)
  4. Univ. of Nevada, Las Vegas, NV (United States); South Univ. of Science and Technology of China, Guangdong (China)
Publication Date:
Report Number(s):
LA-UR-16-21222
Journal ID: ISSN 0003-6951; APPLAB
Grant/Contract Number:
AC52-06NA25396; NA0001982; 0670-3052
Type:
Accepted Manuscript
Journal Name:
Applied Physics Letters
Additional Journal Information:
Journal Volume: 109; Journal Issue: 10; Journal ID: ISSN 0003-6951
Publisher:
American Institute of Physics (AIP)
Research Org:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Univ. of Nevada, Las Vegas, NV (United States)
Sponsoring Org:
USDOE Advanced Research Projects Agency - Energy (ARPA-E)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; material science; solid electrolyte; lithium ion battery; lithium-rich anti-perovskite; layered structure; ionic conductivity; electrolytes; activation energies; grain boundaries; crystal structure; electolytes
OSTI Identifier:
1331273
Alternate Identifier(s):
OSTI ID: 1332396; OSTI ID: 1420460

Zhu, Jinlong, Li, Shuai, Zhang, Yi, Howard, John W., Lu, Xujie, Li, Yutao, Wang, Yonggang, Kumar, Ravhi S., Wang, Liping, and Zhao, Yusheng. Enhanced ionic conductivity with Li7O2Br3 phase in Li3OBr anti-perovskite solid electrolyte. United States: N. p., Web. doi:10.1063/1.4962437.
Zhu, Jinlong, Li, Shuai, Zhang, Yi, Howard, John W., Lu, Xujie, Li, Yutao, Wang, Yonggang, Kumar, Ravhi S., Wang, Liping, & Zhao, Yusheng. Enhanced ionic conductivity with Li7O2Br3 phase in Li3OBr anti-perovskite solid electrolyte. United States. doi:10.1063/1.4962437.
Zhu, Jinlong, Li, Shuai, Zhang, Yi, Howard, John W., Lu, Xujie, Li, Yutao, Wang, Yonggang, Kumar, Ravhi S., Wang, Liping, and Zhao, Yusheng. 2016. "Enhanced ionic conductivity with Li7O2Br3 phase in Li3OBr anti-perovskite solid electrolyte". United States. doi:10.1063/1.4962437. https://www.osti.gov/servlets/purl/1331273.
@article{osti_1331273,
title = {Enhanced ionic conductivity with Li7O2Br3 phase in Li3OBr anti-perovskite solid electrolyte},
author = {Zhu, Jinlong and Li, Shuai and Zhang, Yi and Howard, John W. and Lu, Xujie and Li, Yutao and Wang, Yonggang and Kumar, Ravhi S. and Wang, Liping and Zhao, Yusheng},
abstractNote = {Cubic anti-perovskites with general formula Li3OX (X = Cl, Br, I) were recently reported as superionic conductors with the potential for use as solid electrolytes in all-solid-state lithium ion batteries. These electrolytes are nonflammable, low-cost, and suitable for thermoplastic processing. However, the primary obstacle of its practical implementation is the relatively low ionic conductivity at room temperature. In this work, we synthesized a composite material consisting of two anti-perovskite phases, namely, cubic Li3OBr and layered Li7O2Br3, by solid state reaction routes. The results indicate that with the phase fraction of Li7O2Br3 increasing to 44 wt. %, the ionic conductivity increased by more than one order of magnitude compared with pure phase Li3OBr. Formation energy calculations revealed the meta-stable nature of Li7O2Br3, which supports the great difficulty in producing phase-pure Li7O2Br3 at ambient pressure. Here, methods of obtaining phase-pure Li7O2Br3 will continue to be explored, including both high pressure and metathesis techniques.},
doi = {10.1063/1.4962437},
journal = {Applied Physics Letters},
number = 10,
volume = 109,
place = {United States},
year = {2016},
month = {9}
}

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