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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 27: Molecular Electronics and Excited State Properties II
CPP 27.3: Vortrag
Mittwoch, 19. März 2025, 12:00–12:15, H38
Influence of Classical Molecular Motion on Energy Transport in Molecular Aggregates — •Ritesh Pant1, Sebastian Wüster2, and Alexander Eisfeld1 — 1Max Planck Institute for the Physics of Complex Systems, Dresden, Germany — 2Indian Institute of Science Education and Research, Bhopal, India
Molecular aggregates can transport electronic excitation energy over large distances due to dipole-dipole interactions [1]. We explore the impact of classical thermal motion of entire monomers on this transport, considering a chain of molecules [2]. Such motion induces changes in the aggregate’s geometry, thereby altering the exciton states and enabling, in certain regimes, the adiabatic transport of excitation energy. We find that, in the absence of intramolecular vibrations, the interplay between molecular motion and exciton dynamics induces oscillatory behavior in site populations, which are coupled to the motion. These oscillations occur specifically when the molecular motion is slow enough to be considered adiabatic with respect to the exciton dynamics, and their characteristics depend on the chain length, with shorter chains exhibiting more pronounced effects. We also explore the effect of intramolecular vibrations on this oscillatory behavior and investigate the conditions under which the oscillations persist or are suppressed.
[1] T. Brixner et. al., Adv. Energy Mater. 7, 1700236 (2017).
[2] R. Pant et. al., Phys. Chem. Chem. Phys. 22, 21169 (2020).
Keywords: Molecular aggregates; Energy transport; Exciton; Intramolecular vibrations