Subfemtosecond charge dynamics in vertically stacked bilayer silicene

Abstract Ultrafast charge dynamics in two‐dimensional materials have attracted great interest from both fundamental and applied perspectives due to its significance in the next‐generation battery and solar cells. In this work, using the realistic quantum mechanical real‐time propagation time‐dependent density functional theory ( rt ‐TDDFT) simulations, we disclose the ultrafast charge dynamics in vertically stacked bilayer silicene subjected to an external bias. Among other insights, our study indicates that even modest changes in interlayer distance produce significant modulations in the ultrafast charge dynamics at the subfemtosecond time scale. The findings in this work may open new pathways for the use of bilayer silicene in novel optoelectronic and photovoltaic devices.