Reaction mechanism studies towards effective fabrication of lithium-rich anti-perovskites Li3OX (X=Cl, Br)

Li, Shuai; Zhu, Jinlong; Wang, Yonggang; Howard, John W.; Lü, Xujie; Li, Yutao; Kumar, Ravhi S.; Wang, Liping; Daemen, Luke L.; Zhao, Yusheng

doi:10.1016/j.ssi.2015.11.027

Title: Reaction mechanism studies towards effective fabrication of lithium-rich anti-perovskites Li₃OX (X=Cl, Br)

Journal Article · Thu Dec 10 00:00:00 EST 2015 · Solid State Ionics

DOI:https://doi.org/10.1016/j.ssi.2015.11.027· OSTI ID:1332343

Li, Shuai ^[1]; Zhu, Jinlong ^[1]; Wang, Yonggang ^[1]; Howard, John W. ^[1]; Lü, Xujie ^[2]; Li, Yutao ^[3]; Kumar, Ravhi S. ^[1]; Wang, Liping ^[1]; Daemen, Luke L. ^[4]; Zhao, Yusheng ^[1]

Univ. of Nevada, Las Vegas, NV (United States). High Pressure Science and Engineering Center
Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Center for Integrated Nanotechnologies and Earth and Environmental Sciences Division
Univ. of Texas, Austin, TX (United States). Materials Research Program and the Texas Materials Inst.
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source

Lithium-rich Anti-perovskite (LiRAP), with general formula Li₃OX (X = Cl, Br, I), and recently reported as superionic conductors with 3-dimensional Li⁺ migrating channels, is emerging as a promising candidate for solid electrolyte of all-solid-state LIBs. But, it is still difficult to fabricate pure LiRAP due to the difficulty of the phase formation and moisture-sensitive nature of the products. In this work, we thoroughly studied the formation mechanism of Li₃OCl and Li₃OBr in various solid state reaction routes. We developed different experimental strategies in order to improve the syntheses, in purposes of improved phase stability and large-scale production of LiRAP. One feasible method is to use strongly reductive agents Li metal or LiH to eliminate OH species. The results show that LiH is more effective than Li metal because of negatively charged H^- and uniform reaction. The other well-established method is using Li₂O and LiX mixture as reagents to preventing OH phase at the beginning, and using protected ball milling to make fine powders and hence active the reaction. Finally, IR spectroscopy, thermal analyses and first-principle calculation were performed to give indications on the reaction pathway.

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Research Organization:: Univ. of Nevada, Las Vegas, NV (United States)

Sponsoring Organization:: USDOE Advanced Research Projects Agency - Energy (ARPA-E)

Grant/Contract Number:: NA0001982; 0670-3052

OSTI ID:: 1332343

Alternate ID(s):: OSTI ID: 1359886

Journal Information:: Solid State Ionics, Vol. 284, Issue C; ISSN 0167-2738

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 75 works

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Title: Reaction mechanism studies towards effective fabrication of lithium-rich anti-perovskites Li3OX (X=Cl, Br)

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Title: Reaction mechanism studies towards effective fabrication of lithium-rich anti-perovskites Li₃OX (X=Cl, Br)