4.8 Article

Aluminum fluoride intercalation in graphite for rechargeable batteries design

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Article Chemistry, Physical

A theoretical study on the intercalation and diffusion of AlF3 in graphite: its application in rechargeable batteries

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Summary: Using first-principles calculations based on density functional theory, the study investigated the intercalation of aluminum fluoride in graphite as a potential component in rechargeable batteries. The results showed stable configurations of AlF3 in graphite, low diffusion energy barriers, and promising voltage levels, suggesting fast (dis)charging capabilities for AlF3-based batteries. This research provides valuable insights into the intercalation mechanism of AlF3 graphite layer electrodes, encouraging further experimental studies in this system.

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