Home > Publications database > Forced Disorder in the Solid Solution Li3P–Li2S: A New Class of Fully Reduced Solid Electrolytes for Lithium Metal Anodes > print

001     909829
005     20240712112827.0
024 7 _ |a 10.1021/jacs.2c01913
|2 doi
024 7 _ |a 0002-7863
|2 ISSN
024 7 _ |a 1520-5126
|2 ISSN
024 7 _ |a 1943-2984
|2 ISSN
024 7 _ |a 2128/31887
|2 Handle
024 7 _ |a 36040461
|2 pmid
024 7 _ |a WOS:000850684900001
|2 WOS
037 _ _ |a FZJ-2022-03450
082 _ _ |a 540
100 1 _ |a Szczuka, Conrad
|0 P:(DE-Juel1)179011
|b 0
245 _ _ |a Forced Disorder in the Solid Solution Li3P–Li2S: A New Class of Fully Reduced Solid Electrolytes for Lithium Metal Anodes
260 _ _ |a Washington, DC
|c 2022
|b American Chemical Society
336 7 _ |a article
|2 DRIVER
336 7 _ |a Output Types/Journal article
|2 DataCite
336 7 _ |a Journal Article
|b journal
|m journal
|0 PUB:(DE-HGF)16
|s 1663916585_2394
|2 PUB:(DE-HGF)
336 7 _ |a ARTICLE
|2 BibTeX
336 7 _ |a JOURNAL_ARTICLE
|2 ORCID
336 7 _ |a Journal Article
|0 0
|2 EndNote
520 _ _ |a All-solid-state batteries based on non-combustible solid electrolytes are promising candidates for safe energy storage systems. In addition, they offer the opportunity to utilize metallic lithium as an anode. However, it has proven to be a challenge to design an electrolyte that combines high ionic conductivity and processability with thermodynamic stability toward lithium. Herein, we report a new highly conducting solid solution that offers a route to overcome these challenges. The Li–P–S ternary was first explored via a combination of high-throughput crystal structure predictions and solid-state synthesis (via ball milling) of the most promising compositions, specifically, phases within the Li3P–Li2S tie line. We systematically characterized the structural properties and Li-ion mobility of the resulting materials by X-ray and neutron diffraction, solid-state nuclear magnetic resonance spectroscopy (relaxometry), and electrochemical impedance spectroscopy. A Li3P–Li2S metastable solid solution was identified, with the phases adopting the fluorite (Li2S) structure with P substituting for S and the extra Li+ ions occupying the octahedral voids and contributing to the ionic transport. The analysis of the experimental data is supported by extensive quantum-chemical calculations of both structural stability, diffusivity, and activation barriers for Li+ transport. The new solid electrolytes show Li-ion conductivities in the range of established materials, while their composition guarantees thermodynamic stability toward lithium metal anodes.
536 _ _ |a 1223 - Batteries in Application (POF4-122)
|0 G:(DE-HGF)POF4-1223
|c POF4-122
|f POF IV
|x 0
588 _ _ |a Dataset connected to CrossRef, Journals: juser.fz-juelich.de
700 1 _ |a Karasulu, Bora
|0 0000-0001-8129-8010
|b 1
700 1 _ |a Groh, Matthias F.
|0 0000-0002-7436-7177
|b 2
700 1 _ |a Sayed, Farheen N.
|0 0000-0002-5700-5959
|b 3
700 1 _ |a Sherman, Timothy J.
|0 0000-0002-3613-2043
|b 4
700 1 _ |a Bocarsly, Joshua D.
|0 0000-0002-7523-152X
|b 5
700 1 _ |a Vema, Sundeep
|0 0000-0002-9894-5293
|b 6
700 1 _ |a Menkin, Svetlana
|0 0000-0003-3612-4542
|b 7
700 1 _ |a Emge, Steffen P.
|0 0000-0001-8613-9465
|b 8
700 1 _ |a Morris, Andrew J.
|0 0000-0001-7453-5698
|b 9
700 1 _ |a Grey, Clare P.
|0 0000-0001-5572-192X
|b 10
|e Corresponding author
773 _ _ |a 10.1021/jacs.2c01913
|g Vol. 144, no. 36, p. 16350 - 16365
|0 PERI:(DE-600)1472210-0
|n 36
|p 16350 - 16365
|t Journal of the American Chemical Society
|v 144
|y 2022
|x 0002-7863
856 4 _ |u https://juser.fz-juelich.de/record/909829/files/jacs.2c01913.pdf
|y OpenAccess
909 C O |o oai:juser.fz-juelich.de:909829
|p openaire
|p open_access
|p VDB
|p driver
|p dnbdelivery
910 1 _ |a Forschungszentrum Jülich
|0 I:(DE-588b)5008462-8
|k FZJ
|b 0
|6 P:(DE-Juel1)179011
913 1 _ |a DE-HGF
|b Forschungsbereich Energie
|l Materialien und Technologien für die Energiewende (MTET)
|1 G:(DE-HGF)POF4-120
|0 G:(DE-HGF)POF4-122
|3 G:(DE-HGF)POF4
|2 G:(DE-HGF)POF4-100
|4 G:(DE-HGF)POF
|v Elektrochemische Energiespeicherung
|9 G:(DE-HGF)POF4-1223
|x 0
914 1 _ |y 2022
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0160
|2 StatID
|b Essential Science Indicators
|d 2021-01-30
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)1190
|2 StatID
|b Biological Abstracts
|d 2021-01-30
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)1210
|2 StatID
|b Index Chemicus
|d 2021-01-30
915 _ _ |a WoS
|0 StatID:(DE-HGF)0113
|2 StatID
|b Science Citation Index Expanded
|d 2021-01-30
915 _ _ |a OpenAccess
|0 StatID:(DE-HGF)0510
|2 StatID
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)1200
|2 StatID
|b Chemical Reactions
|d 2021-01-30
915 _ _ |a Creative Commons Attribution CC BY 4.0
|0 LIC:(DE-HGF)CCBY4
|2 HGFVOC
915 _ _ |a Nationallizenz
|0 StatID:(DE-HGF)0420
|2 StatID
|d 2022-11-09
|w ger
915 _ _ |a JCR
|0 StatID:(DE-HGF)0100
|2 StatID
|b J AM CHEM SOC : 2021
|d 2022-11-09
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0200
|2 StatID
|b SCOPUS
|d 2022-11-09
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0300
|2 StatID
|b Medline
|d 2022-11-09
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0600
|2 StatID
|b Ebsco Academic Search
|d 2022-11-09
915 _ _ |a Peer Review
|0 StatID:(DE-HGF)0030
|2 StatID
|b ASC
|d 2022-11-09
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0199
|2 StatID
|b Clarivate Analytics Master Journal List
|d 2022-11-09
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0150
|2 StatID
|b Web of Science Core Collection
|d 2022-11-09
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)1050
|2 StatID
|b BIOSIS Previews
|d 2022-11-09
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)1030
|2 StatID
|b Current Contents - Life Sciences
|d 2022-11-09
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)1150
|2 StatID
|b Current Contents - Physical, Chemical and Earth Sciences
|d 2022-11-09
915 _ _ |a IF >= 15
|0 StatID:(DE-HGF)9915
|2 StatID
|b J AM CHEM SOC : 2021
|d 2022-11-09
920 _ _ |l yes
920 1 _ |0 I:(DE-Juel1)IEK-9-20110218
|k IEK-9
|l Grundlagen der Elektrochemie
|x 0
980 1 _ |a FullTexts
980 _ _ |a journal
980 _ _ |a VDB
980 _ _ |a UNRESTRICTED
980 _ _ |a I:(DE-Juel1)IEK-9-20110218
981 _ _ |a I:(DE-Juel1)IET-1-20110218

LibraryCollectionCLSMajorCLSMinorLanguageAuthor
Marc 21