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231225s2022 xx |||||o 00| ||eng c |
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|a 10.1002/adma.202110279
|2 doi
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|a pubmed24n1121.xml
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|a (DE-627)NLM336363397
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|a (NLM)35102639
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|a DE-627
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|a eng
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| 100 |
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|a Wang, Li
|e verfasserin
|4 aut
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| 245 |
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|a Design Rules of a Sulfur Redox Electrocatalyst for Lithium-Sulfur Batteries
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|c 2022
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|a Text
|b txt
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Revised 07.04.2022
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a © 2022 Wiley-VCH GmbH.
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|a Seeking an electrochemical catalyst to accelerate the liquid-to-solid conversion of soluble lithium polysulfides to insoluble products is crucial to inhibit the shuttle effect in lithium-sulfur (Li-S) batteries and thus increase their practical energy density. Mn-based mullite (SmMn2 O5 ) is used as a model catalyst for the sulfur redox reaction to show how the design rules involving lattice matching and 3d-orbital selection improve catalyst performance. Theoretical simulation shows that the positions of Mn and O active sites on the (001) surface are a good match with those of Li and S atoms in polysulfides, resulting in their tight anchoring to each other. Fundamentally, dz2 and dx2 -y2 around the Fermi level are found to be crucial for strongly coupling with the p-orbitals of the polysulfides and thus decreasing the redox overpotential. Following the theoretical calculation, SmMn2 O5 catalyst is synthesized and used as an interlayer in a Li-S battery. The resulted battery has a high cycling stability over 1500 cycles at 0.5 C and more promisingly a high areal capacity of 7.5 mAh cm-2 is achieved with a sulfur loading of ≈5.6 mg cm-2 under the condition of a low electrolyte/sulfur (E/S) value ≈4.6 µL mg-1
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|a Journal Article
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|a lattice matching
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|a lithium-sulfur batteries
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|a orbital selection
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|a shuttle effect
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1 |
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|a Hua, Wuxing
|e verfasserin
|4 aut
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|a Wan, Xiang
|e verfasserin
|4 aut
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|a Feng, Ze
|e verfasserin
|4 aut
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|a Hu, Zhonghao
|e verfasserin
|4 aut
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|a Li, Huan
|e verfasserin
|4 aut
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|a Niu, Juntao
|e verfasserin
|4 aut
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| 700 |
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|a Wang, Linxia
|e verfasserin
|4 aut
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| 700 |
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|a Wang, Ansheng
|e verfasserin
|4 aut
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| 700 |
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|a Liu, Jieyu
|e verfasserin
|4 aut
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| 700 |
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|a Lang, Xiuyao
|e verfasserin
|4 aut
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| 700 |
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|a Wang, Geng
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Li, Weifang
|e verfasserin
|4 aut
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| 700 |
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|a Yang, Quan-Hong
|e verfasserin
|4 aut
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| 700 |
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|a Wang, Weichao
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Advanced materials (Deerfield Beach, Fla.)
|d 1998
|g 34(2022), 14 vom: 06. Apr., Seite e2110279
|w (DE-627)NLM098206397
|x 1521-4095
|7 nnns
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| 773 |
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|g volume:34
|g year:2022
|g number:14
|g day:06
|g month:04
|g pages:e2110279
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|u http://dx.doi.org/10.1002/adma.202110279
|3 Volltext
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