DataVXAdvanced MaterialsPaper
journal article·2024-01

Simultaneous Catalytic Acceleration of White Phosphorus Polymerization and Red Phosphorus Potassiation for High‐Performance Potassium‐Ion Batteries

Hai Yang, Fuxiang He, Fanfan Liu, Zhefei Sun, Yu Shao, Lixin He, Qiaobao Zhang, Yan Yu

Advanced Materials· Volume 36· Issue 3
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Source abstract

Abstract

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 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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Research context

Energy storageMetals & alloysPolymersCompositesCatalysis & surfaces

OpenAlex topics: Advancements in Battery Materials · Advanced Battery Materials and Technologies · MXene and MAX Phase Materials

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Hefei National Research Center for Physical Sciences at the Microscale Department of Materials Science and Engineering iChEM (Collaborative Innovation Center of Chemistry for Energy Materials) CAS Key Laboratory of Materials for Energy Conversion University of Science and Technology of China Hefei Anhui 230026 China

Key Laboratory of Quantum Information, University of Science and Technology of China Hefei Anhui 230026 China

Synergetic Innovation Center of Quantum Information and Quantum Physics University of Science and Technology of China Hefei 230026 China

State Key Laboratory of Physical Chemistry of Solid Surfaces College of Materials Xiamen University Xiamen Fujian 361005 China

Jiujiang DeFu Technology Co. Ltd Jiujiang Jiangxi 332000 China

National Synchrotron Radiation Laboratory Hefei Anhui 230026 China

Funding

National Key Research and Development Program of China · National Natural Science Foundation of China · National Synchrotron Radiation Laboratory · Fundamental Research Funds for the Central Universities

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