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Lithium-graphite intercalation compounds (Li-GICs) are the most common anodematerial for modern Li-ion batteries. However, the dielectric response of thismaterial in the electrostatic limit (and its variation with the state of charge(SOC)) has not been investigated to a satisfactory degree, especially not forthe higher SOC range. Nevertheless, said dielectric behaviour is a highlydesired property, particularly as an input parameter for charged kinetic MonteCarlo simulations, one of the most promising modeling techniques for energymaterials. In this work, we employ our recent DFTB parametrization for Li-GICsbased on a machine-learned repulsive potential in order to overcome thecomputational hurdles of sampling the long-ranged Coulomb interactions withinthis material, as experienced by the charge carriers within. This approach israther novel due to computational cost, but best suited for investigating ourspecific property of interest. For the first time, we discover a mostly lineardependency of the relative permittivity on the SOC, from ca. 7 at SOC 0% to ca.25 at SOC 100%. In doing so, we also present a straightforward approach thatcan be used in future research for other intercalation compounds -- oncesufficiently fast and long-ranged computational methods, e.g. linear-scalingDFT, a good DFTB parametrization, or atomic potentials with inbuiltelectrostatics, become available. However, while the presented qualitativebehaviour is robust and our results compare favourably with the fewexperimental studies available, we stress that quantitative results arestrongly dependent on our estimation of the partial charge transfer from theintercalated Li-ion to the carbon host structure, and need to be verified byfurther experiments and calculations. Yet, our research shows that inprinciple, two measurements -- one at low and one at high SOC -- should sufficefor that purpose.

The intrinsic electrostatic dielectric behaviour of graphite anodes in Li-ion batteries -- across the entire functional range of charge