Charge transport network dynamics in molecular aggregates

Due to the nonperiodic nature of charge transport in disordered systems, generating insight into static charge transport networks, as well as analyzing the network dynamics, can be challenging. Here, e apply time-dependent network analysis to scrutinize the charge ransport networks of two representative molecular semiconductors: rigid n-Type molecule, perylenediimide, and a flexible p-Type olecule,bBDT(TDPP)2. Simulations reveal the relevant timescale or local transfer integral decorrelation to be 100 fs, which is hown to be faster than that of a crystalline morphology of the same molecule. Using a simple graph metric, global network changes are bserved over timescales competitive with charge carrier lifetimes. hese insights demonstrate that static charge transport networks re qualitatively inadequate, whereas average networks often overestimate network connectivity. Finally, a simple methodology for racking dynamic charge transport properties is proposed.