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231226s2023 xx |||||o 00| ||eng c |
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|a 10.1021/acs.langmuir.3c02354
|2 doi
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|a eng
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|a Marana, Naiara Leticia
|e verfasserin
|4 aut
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|a Stability and Formation of the Li3PS4/Li, Li3PS4/Li2S, and Li2S/Li Interfaces
|b A Theoretical Study
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|c 2023
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|a ƒa Online-Ressource
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|a Date Revised 30.12.2023
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a Solid electrolytes have shown superior behavior and many advantages over liquid electrolytes, including simplicity in battery design. However, some chemical and structural instability problems arise when solid electrolytes form a direct interface with the negative Li-metal electrode. In particular, it was recognized that the interface between the β-Li3PS4 crystal and lithium anode is quite unstable and tends to promote structural defects that inhibit the correct functioning of the device. As a possible way out of this problem, we propose a material, Li2S, as a passivating coating for the Li/β-Li3PS4 interface. We investigated the mutual affinity between Li/Li2S and Li2S/β-Li3PS4 interfaces by DFT methods and investigated the structural stability through the adhesion energy and mechanical stress. Furthermore, a topological analysis of the electron density identified preferential paths for the migration of Li ions
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|a Journal Article
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| 700 |
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|a Casassa, Silvia
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Sgroi, Mauro Francesco
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Maschio, Lorenzo
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Silveri, Fabrizio
|e verfasserin
|4 aut
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| 700 |
1 |
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|a D'Amore, Maddalena
|e verfasserin
|4 aut
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| 700 |
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|a Ferrari, Anna Maria
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1992
|g 39(2023), 51 vom: 26. Dez., Seite 18797-18806
|w (DE-627)NLM098181009
|x 1520-5827
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|g volume:39
|g year:2023
|g number:51
|g day:26
|g month:12
|g pages:18797-18806
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|u http://dx.doi.org/10.1021/acs.langmuir.3c02354
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