Simultaneous Catalytic Acceleration of White Phosphorus Polymerization and Red Phosphorus Potassiation for High-Performance Potassium-Ion Batteries
© 2023 Wiley-VCH GmbH.
| Veröffentlicht in: | Advanced materials (Deerfield Beach, Fla.). - 1998. - 36(2024), 3 vom: 17. Jan., Seite e2306512 |
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| 1. Verfasser: | |
| Weitere Verfasser: | , , , , , , |
| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2024
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| Zugriff auf das übergeordnete Werk: | Advanced materials (Deerfield Beach, Fla.) |
| Schlagworte: | Journal Article Potassium ion batteries catalytic conversion long cycle life red phosphorus theoretical selection |
| Zusammenfassung: | © 2023 Wiley-VCH GmbH. 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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| Beschreibung: | Date Revised 18.01.2024 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
| ISSN: | 1521-4095 |
| DOI: | 10.1002/adma.202306512 |