Correlation of Structure and Fast Ion Conductivity in the Solid Solution Series Li1+2xZn1–x PS 4
Abstract
Solid electrolytes are the foundation of all-solid-state batteries (ASSB) and have the potential to provide improved safety and higher energy density than existing liquid battery systems. In the important search for new lithium ion conductors with fast ionic conductivity and good mechanical properties, thiophosphates are a particularly promising class of materials. The first experimental elucidation of new lithium ion conductors in the Li1+2xZn1-xPS4 (LZPS) solid solution whose existence had been predicted by theory is reported in this paper. Using neutron and synchrotron x-ray powder diffraction together with electrical impedance, and Raman studies, we resolve their crystalline nature and correlate this with ionic conductivity upon increasing the lithium/zinc ratio. We demonstrate that the materials exhibit high experimental ionic conductivities - up to 8 × 10-4 S·cm-1 - and show the nature of likely pathways for lithium ion conduction.
- Authors:
-
- Univ. of Waterloo, ON (Canada)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- BASF SE, Ludwigshafen (Germany)
- Publication Date:
- Research Org.:
- Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Sponsoring Org.:
- BASF International Scientific Network for Electrochemistry and Batteries; Natural Sciences and Engineering Research Council of Canada (NSERC); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division
- OSTI Identifier:
- 1436802
- Grant/Contract Number:
- AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Chemistry of Materials
- Additional Journal Information:
- Journal Volume: 30; Journal Issue: 3; Journal ID: ISSN 0897-4756
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- ENGLISH
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Crystal structure; Ions; Ionic conductivity; Electrical conductivity; Lithium
Citation Formats
Kaup, Kavish, Lalère, Fabien, Huq, Ashfia, Shyamsunder, Abhinandan, Adermann, Torben, Hartmann, Pascal, and Nazar, Linda F. Correlation of Structure and Fast Ion Conductivity in the Solid Solution Series Li1+2xZn1–x PS 4. United States: N. p., 2018.
Web. doi:10.1021/acs.chemmater.7b05108.
Kaup, Kavish, Lalère, Fabien, Huq, Ashfia, Shyamsunder, Abhinandan, Adermann, Torben, Hartmann, Pascal, & Nazar, Linda F. Correlation of Structure and Fast Ion Conductivity in the Solid Solution Series Li1+2xZn1–x PS 4. United States. https://doi.org/10.1021/acs.chemmater.7b05108
Kaup, Kavish, Lalère, Fabien, Huq, Ashfia, Shyamsunder, Abhinandan, Adermann, Torben, Hartmann, Pascal, and Nazar, Linda F. Tue .
"Correlation of Structure and Fast Ion Conductivity in the Solid Solution Series Li1+2xZn1–x PS 4". United States. https://doi.org/10.1021/acs.chemmater.7b05108. https://www.osti.gov/servlets/purl/1436802.
@article{osti_1436802,
title = {Correlation of Structure and Fast Ion Conductivity in the Solid Solution Series Li1+2xZn1–x PS 4},
author = {Kaup, Kavish and Lalère, Fabien and Huq, Ashfia and Shyamsunder, Abhinandan and Adermann, Torben and Hartmann, Pascal and Nazar, Linda F.},
abstractNote = {Solid electrolytes are the foundation of all-solid-state batteries (ASSB) and have the potential to provide improved safety and higher energy density than existing liquid battery systems. In the important search for new lithium ion conductors with fast ionic conductivity and good mechanical properties, thiophosphates are a particularly promising class of materials. The first experimental elucidation of new lithium ion conductors in the Li1+2xZn1-xPS4 (LZPS) solid solution whose existence had been predicted by theory is reported in this paper. Using neutron and synchrotron x-ray powder diffraction together with electrical impedance, and Raman studies, we resolve their crystalline nature and correlate this with ionic conductivity upon increasing the lithium/zinc ratio. We demonstrate that the materials exhibit high experimental ionic conductivities - up to 8 × 10-4 S·cm-1 - and show the nature of likely pathways for lithium ion conduction.},
doi = {10.1021/acs.chemmater.7b05108},
journal = {Chemistry of Materials},
number = 3,
volume = 30,
place = {United States},
year = {Tue Feb 06 00:00:00 EST 2018},
month = {Tue Feb 06 00:00:00 EST 2018}
}
Web of Science
Works referenced in this record:
A solid future for battery development
journal, September 2016
- Janek, Jürgen; Zeier, Wolfgang G.
- Nature Energy, Vol. 1, Issue 9
Solid-State Lithium Metal Batteries Promoted by Nanotechnology: Progress and Prospects
journal, May 2017
- Xin, Sen; You, Ya; Wang, Shaofei
- ACS Energy Letters, Vol. 2, Issue 6
High performance all-solid-state lithium/sulfur batteries using lithium argyrodite electrolyte
journal, October 2014
- Chen, Maohua; Adams, Stefan
- Journal of Solid State Electrochemistry, Vol. 19, Issue 3
Development of Sulfide Solid Electrolytes and Interface Formation Processes for Bulk-Type All-Solid-State Li and Na Batteries
journal, July 2016
- Hayashi, Akitoshi; Sakuda, Atsushi; Tatsumisago, Masahiro
- Frontiers in Energy Research, Vol. 4
Accessing the bottleneck in all-solid state batteries, lithium-ion transport over the solid-electrolyte-electrode interface
journal, October 2017
- Yu, Chuang; Ganapathy, Swapna; Eck, Ernst R. H. van
- Nature Communications, Vol. 8, Issue 1
The pursuit of solid-state electrolytes for lithium batteries: from comprehensive insight to emerging horizons
journal, January 2016
- Chen, Renjie; Qu, Wenjie; Guo, Xing
- Materials Horizons, Vol. 3, Issue 6
Issues and Challenges for Bulk-Type All-Solid-State Rechargeable Lithium Batteries using Sulfide Solid Electrolytes
journal, January 2015
- Jung, Yoon Seok; Oh, Dae Yang; Nam, Young Jin
- Israel Journal of Chemistry, Vol. 55, Issue 5
Recent progress in sulfide-based solid electrolytes for Li-ion batteries
journal, November 2016
- Liu, D.; Zhu, W.; Feng, Z.
- Materials Science and Engineering: B, Vol. 213
Inorganic solid Li ion conductors: An overview
journal, June 2009
- Knauth, Philippe
- Solid State Ionics, Vol. 180, Issue 14-16, p. 911-916
Unravelling Li-Ion Transport from Picoseconds to Seconds: Bulk versus Interfaces in an Argyrodite Li 6 PS 5 Cl–Li 2 S All-Solid-State Li-Ion Battery
journal, August 2016
- Yu, Chuang; Ganapathy, Swapna; de Klerk, Niek J. J.
- Journal of the American Chemical Society, Vol. 138, Issue 35
A lithium superionic conductor
journal, July 2011
- Kamaya, Noriaki; Homma, Kenji; Yamakawa, Yuichiro
- Nature Materials, Vol. 10, Issue 9, p. 682-686
A new ultrafast superionic Li-conductor: ion dynamics in Li 11 Si 2 PS 12 and comparison with other tetragonal LGPS-type electrolytes
journal, January 2014
- Kuhn, Alexander; Gerbig, Oliver; Zhu, Changbao
- Phys. Chem. Chem. Phys., Vol. 16, Issue 28
Li 10 SnP 2 S 12 : An Affordable Lithium Superionic Conductor
journal, October 2013
- Bron, Philipp; Johansson, Sebastian; Zick, Klaus
- Journal of the American Chemical Society, Vol. 135, Issue 42
Superionic Conductors: Li 10+δ [Sn y Si 1– y ] 1+δ P 2−δ S 12 with a Li 10 GeP 2 S 12 -type Structure in the Li 3 PS 4 –Li 4 SnS 4 –Li 4 SiS 4 Quasi-ternary System
journal, July 2017
- Sun, Yulong; Suzuki, Kota; Hori, Satoshi
- Chemistry of Materials, Vol. 29, Issue 14
A sulphide lithium super ion conductor is superior to liquid ion conductors for use in rechargeable batteries
journal, January 2014
- Seino, Yoshikatsu; Ota, Tsuyoshi; Takada, Kazunori
- Energy Environ. Sci., Vol. 7, Issue 2
Crystal structure of a superionic conductor, Li7P3S11
journal, June 2007
- Yamane, H.; Shibata, M.; Shimane, Y.
- Solid State Ionics, Vol. 178, Issue 15-18
High-power all-solid-state batteries using sulfide superionic conductors
journal, March 2016
- Kato, Yuki; Hori, Satoshi; Saito, Toshiya
- Nature Energy, Vol. 1, Issue 4
Design of Li 1+2x Zn 1−x PS 4 , a new lithium ion conductor
journal, January 2016
- Richards, William D.; Wang, Yan; Miara, Lincoln J.
- Energy & Environmental Science, Vol. 9, Issue 10
Design principles for solid-state lithium superionic conductors
journal, August 2015
- Wang, Yan; Richards, William Davidson; Ong, Shyue Ping
- Nature Materials, Vol. 14, Issue 10
Motive dichtester Kugelpackungen: Die Verbindungen Zn3(PS4)2 und LiZnPS4Professor Dieter Naumann zum 60. Geburtstag gewidmet
journal, August 2002
- Jörgens, Stefan; Johrendt, Dirk; Mewis, Albrecht
- Zeitschrift für anorganische und allgemeine Chemie, Vol. 628, Issue 8
Midinfrared Nonlinear Optical Thiophosphates from LiZnPS 4 to AgZnPS 4 : A Combined Experimental and Theoretical Study
journal, March 2016
- Zhou, Molin; Kang, Lei; Yao, Jiyong
- Inorganic Chemistry, Vol. 55, Issue 8
Phase stability, electrochemical stability and ionic conductivity of the Li 10±1 MP 2 X 12 (M = Ge, Si, Sn, Al or P, and X = O, S or Se) family of superionic conductors
journal, January 2013
- Ong, Shyue Ping; Mo, Yifei; Richards, William Davidson
- Energy Environ. Sci., Vol. 6, Issue 1
Structural Insights and 3D Diffusion Pathways within the Lithium Superionic Conductor Li 10 GeP 2 S 12
journal, August 2016
- Weber, Dominik A.; Senyshyn, Anatoliy; Weldert, Kai S.
- Chemistry of Materials, Vol. 28, Issue 16
Revealing the relation between the structure, Li-ion conductivity and solid-state battery performance of the argyrodite Li 6 PS 5 Br solid electrolyte
journal, January 2017
- Yu, Chuang; Ganapathy, Swapna; van Eck, Ernst R. H.
- J. Mater. Chem. A, Vol. 5, Issue 40
Lithium ion conductivity in Li 2 S–P 2 S 5 glasses – building units and local structure evolution during the crystallization of superionic conductors Li 3 PS 4 , Li 7 P 3 S 11 and Li 4 P 2 S 7
journal, January 2017
- Dietrich, Christian; Weber, Dominik A.; Sedlmaier, Stefan J.
- Journal of Materials Chemistry A, Vol. 5, Issue 34
Structural requirements for fast lithium ion migration in Li10GeP2S12
journal, January 2012
- Adams, Stefan; Prasada Rao, R.
- Journal of Materials Chemistry, Vol. 22, Issue 16
First Principles Study of the Li10GeP2S12 Lithium Super Ionic Conductor Material
journal, December 2011
- Mo, Yifei; Ong, Shyue Ping; Ceder, Gerbrand
- Chemistry of Materials, Vol. 24, Issue 1, p. 15-17
Single-crystal X-ray structure analysis of the superionic conductor Li10GeP2S12
journal, January 2013
- Kuhn, Alexander; Köhler, Jürgen; Lotsch, Bettina V.
- Physical Chemistry Chemical Physics, Vol. 15, Issue 28
Works referencing / citing this record:
Predictive modeling and design rules for solid electrolytes
journal, October 2018
- Ceder, Gerbrand; Ong, Shyue Ping; Wang, Yan
- MRS Bulletin, Vol. 43, Issue 10
Sulfide Solid Electrolytes for Lithium Battery Applications
journal, August 2018
- Lau, Jonathan; DeBlock, Ryan H.; Butts, Danielle M.
- Advanced Energy Materials, Vol. 8, Issue 27
Sur-/interfacial regulation in all-solid-state rechargeable Li-ion batteries based on inorganic solid-state electrolytes: advances and perspectives
journal, January 2019
- Liang, Longwei; Sun, Xuan; Zhang, Jinyang
- Materials Horizons, Vol. 6, Issue 5
Solid-State Electrolytes for Lithium-Ion Batteries: Fundamentals, Challenges and Perspectives
journal, August 2019
- Zhao, Wenjia; Yi, Jin; He, Ping
- Electrochemical Energy Reviews, Vol. 2, Issue 4