Collective Optical Excitations and Photoexcited-Carrier Dynamics in the Na 20 @C 240 Core-Shell Nanostructure
Using adiabatic real-time time-dependent density functional theory, this study characterizes the optical response and photoexcited-carrier dynamics of the Na20@C240 core-shell nanostructure, revealing a fragmented plasmon-like resonance in the Na20 core, mixed molecular-polarization modes in the C240 shell, and complex antiphase coupling that redistributes energy toward resonant electron-hole channels with hot carriers ultimately concentrating on the fullerene cage.