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Guo et al. Energy Mater. 2025, 5, 500041 https://dx.doi.org/10.20517/energymater.2024.214 Page 15 of 21

Figure 11. (A) A structural model for NEMD simulations of the lithium/Xene (Xene = C, Si, Ge)/SPE interface. Temperature profiles of
SPE at the interface, pristine sample (B) and with (C) graphene and (D) silicene. Reproduced with permission from Ref. [102] Copyright
2023, Elsevier. (E) Model of a symmetric solid-state lithium battery with two Li-metal electrodes, SSE, and current collectors. (F)
Contact area ratio of electrodes with polymer electrolyte under varying pressures. Reproduced with permission from Ref. [103] Copyright
2022, Elsevier.

complex interface behaviors in solid-state lithium batteries. The Laplace-Fourier transform solution has
been successfully applied in the simulation of solid-state lithium batteries [103,104] . Through this algorithm,
researchers can develop more precise and reliable models that capture the complex interactions between the
internal components of the battery. Additionally, this domain solution can be utilized to predict the
battery’s performance under various conditions. Zhao et al. proposed a 3D cell model Figure 11E based on
the Nernst-Planck equation and electroneutrality, using Talbot’s Laplace and Fourier transforms . It links
[103]
interface conformity, pressure, modulus, and ionic conductivity to solid-state lithium cell performance.
Imperfections in contacts often emerge at the interface between solid-state electrolytes and electrodes
during the charging and discharging cycles, arising from interactions between the Li-metal anode surface
and solid-state electrolytes. Two types of electrolytes - a ceramic electrolyte system and a polymer
electrolyte system - were selected to demonstrate the field distributions. Figure 11F shows how different
volume fractions of external pressure affect the SSE-Li interface contact area ratio during 2-h plating at
0.3 mA cm . After analyzing numerous cases, the study suggested that increasing external pressure could
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exponentially decrease the plating potential drop, and that a lower external pressure was required for
uniform Li deposition in a polymer electrolyte system.