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

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.

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PhysRevApplied.9.044025.pdf (Verlagsversion), 4MB
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PhysRevApplied.9.044025.pdf
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2018
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APS
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 Urheber:
Specht, Judith F.1, Autor
Verdenhalven, Eike1, Autor
Bieniek, Björn2, Autor           
Rinke, Patrick2, 3, Autor           
Knorr, Andreas1, Autor
Richter, Marten1, Autor
Affiliations:
1Institut für Theoretische Physik, Nichtlineare Optik und Quantenelektronik, Technische Universität Berlin, Hardenbergstraße 36, 10623 Berlin, Germany, ou_persistent22              
2Theory, Fritz Haber Institute, Max Planck Society, ou_634547              
3Department of Applied Physics, Aalto University, P.O. Box 11100, Aalto FI-00076, Finland, ou_persistent22              

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 Zusammenfassung: 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.

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Sprache(n): eng - English
 Datum: 2018-02-122017-10-122018-04-18
 Publikationsstatus: Online veröffentlicht
 Seiten: 17
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: DOI: 10.1103/PhysRevApplied.9.044025
 Art des Abschluß: -

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Titel: Physical Review Applied
  Kurztitel : Phys. Rev. Appl.
Genre der Quelle: Zeitschrift
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Ort, Verlag, Ausgabe: College Park, Md. [u.a.] : American Physical Society
Seiten: 17 Band / Heft: 9 (4) Artikelnummer: 044025 Start- / Endseite: - Identifikator: ISSN: 2331-7019
CoNE: https://pure.mpg.de/cone/journals/resource/2331-7019