Persistent Identifier
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doi:10.11588/data/0EK2MB |
Publication Date
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2024-04-16 |
Title
| Electronic Properties of Tetraazaperopyrene Derivatives on Au(111): Energy-Level Alignment and Interfacial Band Formation [research data] |
Author
| Stein, Arnulf (Heidelberg University, Institute for Physical Chemistry)
Rolf, Daniela (Freie Universität Berlin, Department of Physics)
Lotze, Christian (Freie Universität Berlin, Department of Physics) - ORCID: 0000-0001-6847-5676
Feldmann, Sascha (Heidelberg University, Institute for Physical Chemistry) - ORCID: 0000-0002-6583-5354
Gerbert, David (Heidelberg University, Institute for Physical Chemistry)
Günther, Benjamin (Heidelberg University, Institute of Inorganic Chemistry)
Jeindl, Andreas (Graz University of Technology, Institute of Solid State Physics) - ORCID: 0000-0002-2436-0073
Cartus, Johannes J. (Graz University of Technology, Institute of Solid State Physics) - ORCID: 0000-0002-6353-2069
Hofmann, Oliver T. (Graz University of Technology, Institute of Solid State Physics) - ORCID: 0000-0002-2120-3259
Gade, Lutz H. (Heidelberg University, Institute of Inorganic Chemistry) - ORCID: 0000-0002-7107-8169
Franke, Katharina J. (Freie Universität Berlin, Department of Physics) - ORCID: 0000-0001-9416-023X
Tegeder, Petra (Heidelberg University, Institute for Physical Chemistry) - ORCID: 0000-0002-5071-9385 |
Point of Contact
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Tegeder, Petra (Heidelberg University, Institute for Physical Chemistry) |
Description
| N-heteropolycyclic aromatic compounds are promising organic electron-transporting semiconductors for applications in field-effect transistors. Here, we investigated the electronic properties of 1,3,8,10-tetraazaperopyrene derivatives adsorbed on Au(111) using a complementary experimental approach, namely, scanning tunneling spectroscopy and two-photon photoemission combined with state-of-the-art density functional theory. We find signatures of weak physisorption of the molecular layers, such as the absence of charge transfer, a nearly unperturbed surface state, and an intact herringbone reconstruction underneath the molecular layer. Interestingly, molecular states in the energy region of the sp- and d-bands of the Au(111) substrate exhibit hole-like dispersive character. We ascribe this band character to hybridization with the delocalized states of the substrate. We suggest that such bands, which leave the molecular frontier orbitals largely unperturbed, are a promising lead for the design of organic–metal interfaces with a low charge injection barrier. |
Subject
| Chemistry; Physics |
Keyword
| Tetraazaperopyrene
Two-Photon Photoemission
Scanning Tunneling Spectroscopy |
Related Publication
| Arnulf Stein, Daniela Rolf, Christian Lotze, Sascha Feldmann, David Gerbert, Benjamin Gunther, Andreas Jeindl, Johannes J. Cartus, Oliver T. Hofmann, Lutz H. Gade, Katharina J. Franke, and Petra Tegeder: Electronic Properties of Tetraazaperopyrene Derivatives on Au(111): Energy-Level Alignment and Interfacial Band Formation, J. Phys. Chem. C 2021, 125, 36, 19969–19979. doi: 10.1021/acs.jpcc.1c04217 https://pubs.acs.org/doi/full/10.1021/acs.jpcc.1c04217 |
Funding Information
| Deutsche Forschungsgemeinschaft: 281029004 (SFB 1249, Projects A02 and B06)
Deutsche Forschungsgemeinschaft: 182087777 (SFB 951); K.J.F.
International Max Planck Research School “Functional Interfaces in Physics and Chemistry” (D.R.)
Austrian Science Fund (FWF): Y1157-N36 “MAP-DESIGN” |
Distributor
| heiDATA: Heidelberg Research Data Repository (Heidelberg University) https://heidata.uni-heidelberg.de |