Charla: Graphite intercalation of AlF3: in-plane and interlayer interactions

RODRÍGUEZ-SOTELO, S.J.; CANDIA, A.E.; STANKOVIC, I.; PASSEGGI (JR.), M.C.G.; RUANO, G.D.

Berlin (Germany), 17-22 March

Otro; 87th Annual meeting of the DPG and DPG Spring Meeting 2024 of the Condensed Matter Section (SKM); 2024

Deutsche Physikalische Gesellschaft

The electrolyte intercalation mechanism facilitates the insertion/extraction of charge into the electrod material in rechargeable batteries. Aluminium fluoride (AlF3) has been used as an electrolyte in rechargeable aluminium batteries, the intercalation mechanism of this neutral molecule in graphite is so far unknown. In this work, we combine STM in UHV conditions, DFT calculations, and large-scale MD simulations to reveal the mechanism of AlF3 intercalation. We report the formation of AlF3 molecules clusters between graphite layers, their self-assembly by graphene buckling-mediated interactions, and explain the origin and distribution of superficial blisters in the material.Expuso: Stankovic, I.