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Stein A, Rolf D, Lotze C, et al. Band Formation at Interfaces Between N-Heteropolycycles and Gold Electrodes. J Phys Chem Lett. 2021;12(2):947-951doi: 10.1021/acs.jpclett.0c03630.
Stein, A., Rolf, D., Lotze, C., Günther, B., Gade, L. H., Franke, K. J., & Tegeder, P. (2021). Band Formation at Interfaces Between N-Heteropolycycles and Gold Electrodes. The journal of physical chemistry letters, 12(2), 947-951. https://doi.org/10.1021/acs.jpclett.0c03630
Stein, Arnulf, et al. "Band Formation at Interfaces Between N-Heteropolycycles and Gold Electrodes." The journal of physical chemistry letters vol. 12,2 (2021): 947-951. doi: https://doi.org/10.1021/acs.jpclett.0c03630
Stein A, Rolf D, Lotze C, Günther B, Gade LH, Franke KJ, Tegeder P. Band Formation at Interfaces Between N-Heteropolycycles and Gold Electrodes. J Phys Chem Lett. 2021 Jan 21;12(2):947-951. doi: 10.1021/acs.jpclett.0c03630. Epub 2021 Jan 13. PMID: 33440118.
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J Phys Chem Lett. 2021 Jan 21;12(2):947-951. doi: 10.1021/acs.jpclett.0c03630. Epub 2021 Jan 13.

Band Formation at Interfaces Between N-Heteropolycycles and Gold Electrodes.

The journal of physical chemistry letters

Arnulf Stein, Daniela Rolf, Christian Lotze, Benjamin Günther, Lutz H Gade, Katharina J Franke, Petra Tegeder

Affiliations

  1. Ruprecht-Karls-Universität Heidelberg, Physikalisch-Chemisches Institut, Im Neuenheimer Feld 253, 69120 Heidelberg, Germany.
  2. Freie Universität Berlin, Fachbereich Physik, Arnimallee 14, 14195 Berlin, Germany.
  3. Ruprecht-Karls-Universität Heidelberg, Anorganisch-Chemisches Institut, Im Neuenheimer Feld 270, 69120 Heidelberg, Germany.

PMID: 33440118 DOI: 10.1021/acs.jpclett.0c03630

Abstract

Efficient charge injection at organic semiconductor/metal interfaces is crucial for the performance of organic field effect transistors. Interfacial hybrid band formation between electronic states of the organic compound and the metal electrode facilitates effective charge injection. Here, we show that a long-range ordered monolayer of a flat-lying N-heteropolycyclic aromatic compound on Au(111) leads to dispersing occupied and unoccupied interfacial hybrid bands. Using angle-resolved two-photon photoemission we determine their energy level alignment and dispersion relations. We suggest that band formation proceeds via hybridization of a localized occupied molecular state with the d-bands of the Au substrate, where the large effective mass of the d-bands is significantly reduced in the hybrid band. Hybridization of an unoccupied molecular state with the Au sp-band leads to a band with an even smaller effective mass.

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