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231226s2024 xx |||||o 00| ||eng c |
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|a 10.1002/adma.202306512
|2 doi
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|a pubmed24n1263.xml
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|a eng
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|a Yang, Hai
|e verfasserin
|4 aut
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|a Simultaneous Catalytic Acceleration of White Phosphorus Polymerization and Red Phosphorus Potassiation for High-Performance Potassium-Ion Batteries
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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 18.01.2024
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a © 2023 Wiley-VCH GmbH.
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|a Red phosphorus (P) as an anode material of potassium-ion batteries possesses ultra-high theoretical specific capacity (1154 mAh g-1 ). However, owing to residual white P during the preparation and sluggish kinetics of K-P alloying limit its practical application. Seeking an efficient catalyst to address the above problems is crucial for the secure preparation of red P anode with high performance. Herein, through the analysis of the activation energies in white P polymerization, it is revealed that the highest occupied molecular orbital energy of I2 (-7.40 eV) is in proximity to P4 (-7.25 eV), and the lowest unoccupied molecular orbital energy of I2 molecule (-4.20 eV) is lower than that of other common non-metallic molecules (N2 , S8 , Se8 , F2 , Cl2 , Br2 ). The introduction of I2 can thus promote the breaking of the P─P bond and accelerate the polymerization of white P molecules. Besides, the ab initio molecular dynamics simulations show that I2 can enhance the kinetics of P-K alloying. The as-obtained red P/C composites with I2 deliver excellent cycling stability (358 mAh g-1 after 1200 cycles at 1 A g-1 ). This study establishes catalysis as a promising pathway to tackle the challenges of P anode for alkali metal ion batteries
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|a Journal Article
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|a Potassium ion batteries
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|a catalytic conversion
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|a long cycle life
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|a red phosphorus
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| 650 |
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|a theoretical selection
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1 |
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|a He, Fuxiang
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Liu, Fanfan
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Sun, Zhefei
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Shao, Yu
|e verfasserin
|4 aut
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| 700 |
1 |
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|a He, Lixin
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Zhang, Qiaobao
|e verfasserin
|4 aut
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| 700 |
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|a Yu, Yan
|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 36(2024), 3 vom: 17. Jan., Seite e2306512
|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:3
|g day:17
|g month:01
|g pages:e2306512
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|u http://dx.doi.org/10.1002/adma.202306512
|3 Volltext
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