Simulation of ultrafast transient absorption spectra of a perylene-based light harvesting antenna.

ABSTRACT: Atomistic simulations of photo-induced responses in artificial light-harvesting molecular systems help to reveal the mechanisms of ultrafast intramolecular energy transfer between individual chromophores. These light-induced processes mimic the primary events occurring in natural photosynthesis. Modeling studies contribute to the design of more efficient molecular architectures enabling performance optimization for applications in light harvesting, energy conversion, and optoelectronics. Within this context, the direct comparison between simulated and experimental transient absorption pump-probe (TA-PP) spectra are especially valuable for validating theoretical approaches and deepening mechanistic understanding. Herein, we investigate the photoinduced dynamics of an antenna system composed

SUBMITTER: Perez-Castillo R 

PROVIDER: S-EPMC12208216 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature