SKM 2023 – wissenschaftliches Programm
O 82.5: Vortrag
Donnerstag, 30. März 2023, 16:00–16:15, GER 37
Formation model of AlF3 intercalated aggregates on HOPG surfaces for rechargeable battery applications — •Sindy Rodríguez Sotelo1,2, Adriana Candia1, Igor Stanković3, Mario Passeggi Jr.1,2, and Gustavo Ruano4 — 1IFIS, CONICET-UNL, Santa Fe, Argentina — 2FIQ, UNL, Santa Fe, Argentina — 3Scientific Computing Laboratory, Center for the Study of Complex Systems, IPB, Belgrade, Serbia — 4CAB, CNEA, Bariloche, Argentina
Rechargeable batteries based on ion intercalation are currently of great interest, with lithium being the most studied and with the best performance. However, the limited reserves of this material and its scarce distribution in the world have led to the research for new alternatives. In our recent work, we studied the intercalation of AlF3 in HOPG as a new possibility to use this molecule in rechargeable batteries and to understand its role when used as a solvent component [1,2]. Based on our recent reports, in this work we theoretically and experimentally characterize the dynamics of the AlF3 interlayers, to discuss the possibility of decoupling the first graphene layers from the HOPG under ultra-high vacuum conditions. We show experimental measurements performed by STM, XPS and AES, also proposing a model to glimpse the growth and behavior of AlF3 in the surface layers of the HOPG substrate, to provide clarity regarding the formation of the AlF3/HOPG interface. We complement the analysis with calculations in the formalism of DFT and molecular dynamics (MD). References  A.E. Candia et al. Carbon, 186 (2022) 724.  Rodríguez et al. Phys. Chem. Chem. Phys, 23 (2021), 19579.