Lithium Intercalation in the Anisotropic Van Der Waals Semiconductor CrSBr

Alkali metal intercalation is an important strategy for doping van der Waals materials. In this work, lithium intercalation between layers of the anisotropic magnetic semiconductor CrSBr is investigated using exfoliated crystals, enabling real-time monitoring of intercalation dynamics through optical and electrical characterization. The measurements reveal highly anisotropic lithium migration with diffusion coefficients differing by more than one order of magnitude along the a- and b-directions, consistent with molecular dynamics simulations showing lithium trajectories primarily following Br chains along the a-direction. Partial or complete hBN encapsulation significantly affects the intercalation process, and lithium enhances electrical conductivity along the a-axis. The approach provides a platform for lithium diffusion studies and the fabrication of lithium-doped devices.