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The interfacing 2D materials are promising candidates for excellent anodes focusing on energy storage Li-battery. With van der Waals gaps, these materials present genuine ion diffusion channels for lithium. In this context, we explore the incorporation of Li atoms in the WSSe/Silicene heterostructure employing ab initio calculations. It is worth mentioning that the pristine interface has a metallic behavior. Our findings reveal that intercalated lithium is more energetically favorable than it adsorbed on the surfaces of heterostructure and their counterparts. To access the lithium ionic diffusion on the material, two distinct migration barriers were examined, where the lowest had an ionic diffusion energy barrier of 0.34 eV. One interesting finding consists of an open circuit voltage (OCV) for the former case, which shows a small variation, indicating a low deviation of voltages for a small Li concentration. The results indicate a maximum volume expansion of only 0.86%, which suggests favorable structural tolerance, essential to electrode application. The interface layered 2D materials based on WSSe/Silicene demonstrated an optimistic approach as a Li-ion battery anode.