In:
Advanced Materials, Wiley
Abstract:
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 I 2 (−7.40 eV) is in proximity to P 4 (−7.25 eV), and the lowest unoccupied molecular orbital energy of I 2 molecule (−4.20 eV) is lower than that of other common non‐metallic molecules (N 2 , S 8 , Se 8 , F 2 , Cl 2 , Br 2 ). The introduction of I 2 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 I 2 can enhance the kinetics of P‐K alloying. The as‐obtained red P/C composites with I 2 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.
Type of Medium:
Online Resource
ISSN:
0935-9648
,
1521-4095
DOI:
10.1002/adma.202306512
Language:
English
Publisher:
Wiley
Publication Date:
2023
detail.hit.zdb_id:
1474949-X
Permalink