Exploration of Electrode-Electrolyte-in-One System Based on Fluorine/Chloride Ion Battery

ADVANCED ENERGY MATERIALS(2024)

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摘要
With an increasingly profound understanding of battery materials, strategies designed for interface protection have become more sophisticated. However, it is inherent that different materials used in electrodes and electrolytes tend to react with each other. To address this issue, this study proposes an "Electrode-Electrolyte-In-One" (EEIO) concept, where a single energy storage material can serve as both electrode and solid-state electrolyte (SSE) during its different ion storage stages. The EEIO materials of chloride ion batteries and fluorine ion batteries are preliminarily studied, establishing reasonable screening procedures and predicting their operational mechanisms. The analysis of Cl- and F- affinity indicates that the EEIO system in the anion storage batteries comprises the anode and SSE. Through comprehensive evaluation of ion binding capacity, phase transformation mechanism, electrical conductivity, and ion diffusion kinetic properties, several potential EEIO materials are identified. In the EEIO system, the material interface and the conductive-insulation interface are separated, which solves the material compatibility problem between the anode and SSE. Furthermore, the EEIO system has an inherent correlation between the anode electrochemical reaction and the SSE decomposition reaction, ensuring that the electrochemical voltage of EEIO batteries never exceeds the decomposition voltage of SSE. Therefore, SSE in the EEIO battery has absolute electrochemical stability. The single energy storage material such as metal can respectively serve as electrode and SSE during its different ion storage stages, enabling the SSE and one side electrode to form an EEIO system. In anionic batteries, the EEIO consists of anodes and SSE. Conversely, cationic batteries, it consist of cathodes and SSE. image
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关键词
chloride ion battery,first-principles calculation,fluorine ion battery,material interface,solid electrolyte
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