Mainz 2017 – wissenschaftliches Programm

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MO: Fachverband Molekülphysik

MO 11: Molecular Nanostructures and Solids

MO 11.4: Vortrag

Mittwoch, 8. März 2017, 15:15–15:30, N 25

triggering excitation energy transfer in molecular aggregates via nanoparticle near-fields — •Xiaomeng Liu¹, Lennart Seiffert¹, Thomas Fennel¹, Thomas Niehaus², and Oliver Kühn¹ — ¹Institut für Physik, Universität Rostock, D-18051 Rostock, Germany — ²Institute Lumière Matière, Université Lyon 1, F-69622 Villeurbanne CEDEX France

Laser-driven quantum dynamics has been studied for an organic-inorganic hybrid system consisting of a metal nanoparticle (NP) and a dye aggregate. The latter was described using approximate time-dependent density functional theory [1], i.e. by explicitly solving the time-dependent Kohn-Sham equations for the molecule driven by the total field. Polarization effects between the spherical NP and the molecules were described self-consistently, via high-order multipole expansion [2]. The structure of the near-field and its dependence on the distance and orientation of the aggregate was investigated in detail for the examples tetracene and JC-1 chloride. It was observed that the polarization effects have only minor influence on the electronic structure of the molecule. However, a strong effect is observed for laser excitation of the hybrid system. Here, the total electric field including the near NP's near-field is capable of enhancement and local triggering of excitation energy transfer, which has been described by means of a quantum master equation [3]. [1] T. A. Niehaus et al., Eur. Phys. J. D 35, 467 (2005); [2] L. Seiffert et al., Appl. Phys. B 121, 101 (2016); [3] V. May and O. Kühn. Charge and Energy Transfer Dynamics in Molecular System (Wiley-VCH, Weinheim 2011)