SAMOP 2021 – wissenschaftliches Programm

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MO: Fachverband Molekülphysik

MO 7: Poster 1

MO 7.18: Poster

Donnerstag, 23. September 2021, 17:30–19:30, P

Excitation transport in molecular aggregates with thermal motion — •Ritesh Pant and Sebastian Wüster — Department of Physics, Indian Institute of Science Education and Research, Bhopal, Madhya Pradesh 462 066, India

One of the promising features of molecular aggregates is the transport of exciton energy over the long distance due to the Coulomb coupling. In our work we explore to what extent thermal motion of entire monomers can guide or enhance the excitation transport. We show that transport through motion can yield higher transport efficiencies in the presence of on-site energy disorder than the static counterpart for two simple models of molecular motion: (i) longitudinal vibrations along the aggregation direction (ii) torsional motion of planar monomers in a plane orthogonal to the aggregation direction. For both models we find parameter regimes in which the motion enhances excitation transport, however these are more realistic for the torsional scenario, due to the limited motional range in a typical Morse type inter-molecular potential. We finally show that the transport enhancement can be linked to adiabatic quantum dynamics. This transport enhancement through adiabatic motion appears a useful resource to combat exciton trapping by disorder. In the next step of this exploration, we include the effect of intramolecular vibrations and extend the quantum dynamics calculation for excitation transport to an open-quantum-system technique, a non-Markovian quantum state diffusion, which is an efficient method to study the effect of non-Markovian environment on excitation transport.