Hilfe Wegweiser Datenschutzhinweis Impressum Kontakt





Theory of Excitation Transfer between Two-Dimensional Semiconductor and Molecular Layers


Bieniek,  Björn
Theory, Fritz Haber Institute, Max Planck Society;

Rinke,  Patrick
Theory, Fritz Haber Institute, Max Planck Society;
Department of Applied Physics, Aalto University;

Externe Ressourcen
Es sind keine Externen Ressourcen verfügbar
Volltexte (frei zugänglich)

(Verlagsversion), 4MB

Ergänzendes Material (frei zugänglich)
Es sind keine frei zugänglichen Ergänzenden Materialien verfügbar

Specht, J. F., Verdenhalven, E., Bieniek, B., Rinke, P., Knorr, A., & Richter, M. (2018). Theory of Excitation Transfer between Two-Dimensional Semiconductor and Molecular Layers. Physical Review Applied, 9(4): 044025. doi:10.1103/PhysRevApplied.9.044025.

The geometry-dependent energy transfer rate from an electrically pumped inorganic semiconductor quantum well into an organic molecular layer is studied theoretically. We focus on Förster-type nonradiative excitation transfer between the organic and inorganic layers and include quasimomentum conservation and intermolecular coupling between the molecules in the organic film. (Transition) partial charges calculated from density-functional theory are used to calculate the coupling elements. The partial charges describe the spatial charge distribution and go beyond the common dipole-dipole interaction. We find that the transfer rates are highly sensitive to variations in the geometry of the hybrid inorganic-organic system. For instance, the transfer efficiency is improved by up to 2 orders of magnitude by tuning the spatial arrangement of the molecules on the surface: Parameters of importance are the molecular packing density along the effective molecular dipole axis and the distance between the molecules and the surface. We also observe that the device performance strongly depends on the orientation of the molecular dipole moments relative to the substrate dipole moments determined by the inorganic crystal structure. Moreover, the operating regime is identified where inscattering dominates over unwanted backscattering from the molecular layer into the substrate.