Aluminum fluoride intercalation in graphite for rechargeable batteries design

Candia, Adriana E.; Rodríguez, Sindy J.; Albanesi, E. A.; Bernardi, G.; Fregenal, D.; Zampieri, G.; Passeggi, M. C. G.; Ruano, G.

doi:10.1016/j.carbon.2021.10.049

Cited by 5 publications

(11 citation statements)

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“…In both images, we observe bright regions on a dark brown background, corresponding to blisters generated by clusters of AlF 3 molecules intercalated with an inhomogeneous distribution beneath the topmost graphite layer. 28 The density of these clusters is observed to be higher for the sample that has been more exposed, indicative of a correlation between the intercalation density and exposure dose. Comparing both images, it is apparent that the size of the blisters varied with the deposited dose.…”

Section: ■ Results and Discussionmentioning

confidence: 92%

“…Recently, we found that AlF 3 molecules are incorporated through the steps-edges present on the HOPG surface, locally separating the carbon layers from the substrate without forming chemical bonds and altering its local density of states (LDOS). 28 Our theoretical study on the bulk, 29 showed that the AlF 3 molecule is energetically unstable on HOPG surfaces and instead intercalates in stable nonplanar configuration due to attractive van der Waals forces between the HOPG layers. Despite the progress in the study of AlF 3 , the mechanism of the intercalation of this molecule as a function of the concentration of intercalating molecules should be understood.…”

Section: ■ Introductionmentioning

confidence: 90%

“…The potential utilization of AlF 3 molecules as guest species within the graphite matrix not only provides a platform for understanding solvent attributes of AlF 3 but also represents a route for comprehending its incorporation dynamics. Recently, we found that AlF 3 molecules are incorporated through the steps-edges present on the HOPG surface, locally separating the carbon layers from the substrate without forming chemical bonds and altering its local density of states (LDOS) . Our theoretical study on the bulk, showed that the AlF 3 molecule is energetically unstable on HOPG surfaces and instead intercalates in stable nonplanar configuration due to attractive van der Waals forces between the HOPG layers.…”

Section: Introductionmentioning

confidence: 93%

“…In Figure , we describe the methodologies employed to obtain and characterize samples based on our previous investigations . The roughness of the substrate plays a determinant role in the thickness restriction of AlF 3 interlayer aggregates, and this phenomenon occurs due to diffusion from the stepped edges into the interlaminar space of the host material.…”

Section: Experimental and Theoretical Setupmentioning

confidence: 99%

“…In the Supporting Information, you can access a summary of the relevant experimental results obtained through previously published RBS studies. For a more comprehensive perspective refer to Candia et al…”

Section: Experimental and Theoretical Setupmentioning

confidence: 99%

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Study of In-Plane and Interlayer Interactions During Aluminum Fluoride Intercalation in Graphite: Implications for the Development of Rechargeable Batteries

Rodríguez,

Candia,

Stanković

et al. 2023

ACS Appl. Nano Mater.

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The electrolyte intercalation mechanism facilitates the insertion and extraction of charge into the electrode material in rechargeable batteries. Aluminum fluoride (AlF3) has been used as an electrolyte in rechargeable aluminum batteries with graphite electrodes, demonstrating improved reversibility of battery charging and discharging processes; however, the intercalation mechanism of this neutral molecule in graphite is so far unknown. In this work, we combine scanning tunneling microscopy (STM) in ultrahigh vacuum conditions, calculations based on density functional theory, and large-scale molecular dynamics simulations to reveal the mechanism of AlF3 intercalation in highly oriented pyrolytic graphite (HOPG). We report the formation of AlF3 molecule clusters between graphite layers and their self-assembly by graphene buckling-mediated interactions and explain the origin and distribution of superficial blisters in the material. Our findings have implications for understanding the relationship between the mobility and clustering of molecules and the expansion of the anode material. This, in turn, paves the way for future enhancements in the performance of energy storage systems.

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Section: ■ Results and Discussionmentioning

confidence: 92%

Section: ■ Introductionmentioning

confidence: 90%

Section: Introductionmentioning

confidence: 93%

Section: Experimental and Theoretical Setupmentioning

confidence: 99%

Section: Experimental and Theoretical Setupmentioning

confidence: 99%

See 3 more Smart Citations