Simulations of energy funneling and time- and frequency-gated fluorescence in dendrimers

Abstract
Exciton transport and relaxation in optically excited phenylacetylene dendrimers is simulated using the Redfield equations. The interplay of entropic (periphery-bound) and energetic (center-bound) driving forces is explored. The fluorescence signal computed using the Doorway–Window representation provides a direct probe for exciton dynamics. The propagated exciton density matrix is analyzed and several measures of the time-dependent excitonic coherence sizes are proposed and calculated.