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240420s2024 xx |||||o 00| ||eng c |
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|a 10.1002/adma.202400343
|2 doi
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|a pubmed24n1495.xml
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|a DE-627
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|a eng
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|a Murdock, Beth E
|e verfasserin
|4 aut
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| 245 |
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|a Li-Site Defects Induce Formation of Li-Rich Impurity Phases
|b Implications for Charge Distribution and Performance of LiNi0.5- xMxMn1.5O4 Cathodes (M = Fe and Mg; x = 0.05-0.2)
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|c 2024
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
|b c
|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Revised 08.08.2024
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a © 2024 The Authors. Advanced Materials published by Wiley‐VCH GmbH.
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|a An understanding of the structural properties that allow for optimal cathode performance, and their origin, is necessary for devising advanced cathode design strategies and accelerating the commercialization of next-generation cathodes. High-voltage, Fe- and Mg-substituted LiNi0.5Mn1.5O4 cathodes offer a low-cost, cobalt-free, yet energy-dense alternative to commercial cathodes. In this work, the effect of substitution on several important structure properties is explored, including Ni/Mn ordering, charge distribution, and extrinsic defects. In the cation-disordered samples studied, a correlation is observed between increased Fe/Mg substitution, Li-site defects, and Li-rich impurity phase formation-the concentrations of which are greater for Mg-substituted samples. This is attributed to the lower formation energy of MgLi defects when compared to FeLi defects. Li-site defect-induced impurity phases consequently alter the charge distribution of the system, resulting in increased [Mn3+] with Fe/Mg substitution. In addition to impurity phases, other charge compensators are also investigated to explain the origin of Mn3+ (extrinsic defects, [Ni3+], oxygen vacancies and intrinsic off-stoichiometry), although their effects are found to be negligible
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|a Journal Article
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|a Fe/Mg doping
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4 |
|a cationic substitution
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| 650 |
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4 |
|a charge compensators (Mn3+, Ni3+, oxygen vacancies)
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| 650 |
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4 |
|a extrinsic defects
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| 650 |
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|a high‐voltage LiNi0.5Mn1.5O4
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| 700 |
1 |
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|a Cen, Jiayi
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Squires, Alexander G
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Kavanagh, Seán R
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Scanlon, David O
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Zhang, Li
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Tapia-Ruiz, Nuria
|e verfasserin
|4 aut
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| 773 |
0 |
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|i Enthalten in
|t Advanced materials (Deerfield Beach, Fla.)
|d 1998
|g 36(2024), 32 vom: 19. Aug., Seite e2400343
|w (DE-627)NLM098206397
|x 1521-4095
|7 nnns
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| 773 |
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|g volume:36
|g year:2024
|g number:32
|g day:19
|g month:08
|g pages:e2400343
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|u http://dx.doi.org/10.1002/adma.202400343
|3 Volltext
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