Band Formation at Interfaces Between N-Heteropolycycles and Gold Electrodes

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

doi:10.1021/acs.jpclett.0c03630

Cited by 9 publications

(25 citation statements)

References 47 publications

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“…Complementary insight into the electronic structure of TAPP-CF 3 molecules on Au(111) can be gained by 2PPE measurements. A detailed analysis of the observed peaks and their photon energy dependency has been published in ref ( 43 ). Here, we compile these results together with the data from the tunneling spectra in Figure 5 .…”

Section: Resultsmentioning

confidence: 99%

“…In addition, an unoccupied final state at 5.65 eV is observed. Notably, an occupied interfacial hybrid band (OIHB) and an unoccupied interfacial hybrid band (UIHB) have been identified as discussed in detail in ref ( 43 ) (see below).…”

Section: Resultsmentioning

confidence: 99%

“… Energy-level diagram of TAPP-CF 3 adsorbed on Au(111) based on STS and 2PPE 43 measurements in the sub- to monolayer regime. Dashed lines indicate vibronic transition.…”

Section: Resultsmentioning

confidence: 99%

“…Recently, we observed the dispersion of the UIHB and OIHB for the TAPP-CF 3 derivative on Au(111). 43 Since a different packing or ordering behavior is expected for the three TAPP derivatives due to the varying size of the side groups, we studied the influence of the side chains with respect to interfacial band formation of the other two TAPP derivatives, namely, TAPP-H and TAPP-C 3 F 7 (see Figure 1 ). To be able to conclude that band formation has occurred and to measure dispersion in angle-resolved photoemission, lateral extended interfacial hybrid states (bands) must be formed.…”

Section: Resultsmentioning

confidence: 99%

“…Recently, we demonstrated interfacial band formation for an N-heteropolycyclic molecule, a 1,3,8,10-tetraazaperopyrene derivative (TAPP-CF 3 , see Figure 1 ) adsorbed on Au(111) in the energy regime of occupied and unoccupied electronic states occurred. 43 TAPPs belong to the class of N-heteropolycyclic aromatics, which have shown promising results as organic semiconductors in thin-film transistors. 44 , 45 The TAPP-H/Cu(111) system has been studied with respect to thermally activated and surface-assisted reactions using scanning tunneling microscopy (STM).…”

Section: Introductionmentioning

confidence: 99%

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Electronic Properties of Tetraazaperopyrene Derivatives on Au(111): Energy-Level Alignment and Interfacial Band Formation

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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.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

“… Energy-level diagram of TAPP-CF 3 adsorbed on Au(111) based on STS and 2PPE 43 measurements in the sub- to monolayer regime. Dashed lines indicate vibronic transition.…”

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Electronic Properties of Tetraazaperopyrene Derivatives on Au(111): Energy-Level Alignment and Interfacial Band Formation

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A Critical Outlook for the Pursuit of Lower Contact Resistance in Organic Transistors

et al. 2021

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He received his B.A. degree in physics from Rutgers University and M.S.E. degree in materials science and engineering from the University of Pennsylvania. He then worked as a staff scientist at Innova Dynamics in San Francisco, before completing his Ph.D. in materials science at the Max Planck Institute for Solid State Research and the University of Stuttgart, where he developed flexible high-frequency organic transistors with record-low contact resistance. His current research interests include light-matter interaction in organic semiconductors and interfaces in organic electronic devices. R. Thomas Weitz received his diploma in physics at the University of Heidelberg and his Ph.D. from the Max Planck Institute for Solid State Physics in Stuttgart. After a postdoc at Harvard University and the MPI in Stuttgart, he went into industrial research at BASF SE, Ludwigshafen. After having been a professor at the Ludwig-Maximilians University, Munich, he is currently a full professor at the 1st Institute of Physics at the Georg August University of Göttingen. His research is focused on quantum transport in low-dimensional materials and organic electronics.

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Influence of Core Halogenation on the Electronic Structure of Naphthothiadiazole Derivatives

et al. 2021

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Naphthothiadiazoles are promising electron acceptors for applications in organic semiconductor-based (opto)electronic devices. Here, we studied the structural and electronic properties of naphthothiadiazole (NTD) derivatives adsorbed on Au(111) in the monolayer and thin films using temperature-programmed desorption as well as vibrational and electronic high-resolution electron energy loss spectroscopy. In addition, we performed state-of-the-art quantum chemical calculations to further illuminate electronic properties. In the monolayer and multilayer coverage regime, the NTD derivatives adsorbed in a planar fashion with the molecular backbone oriented parallel to the gold surface. Several singlet and the first triplet transition energies are determined. The optical gap (S0 → S1 transition) in the nonhalogenated parent NTD is found to be 2.6 eV, whereas it is reduced by 200 meV in the chlorinated and brominated NTD. All experimentally observed singlet and triplet transition energies are reduced due to halogenation, which is underlined by theory.

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Band Formation at Interfaces Between N-Heteropolycycles and Gold Electrodes

Cited by 9 publications

References 47 publications

Electronic Properties of Tetraazaperopyrene Derivatives on Au(111): Energy-Level Alignment and Interfacial Band Formation

Electronic Properties of Tetraazaperopyrene Derivatives on Au(111): Energy-Level Alignment and Interfacial Band Formation

A Critical Outlook for the Pursuit of Lower Contact Resistance in Organic Transistors

Influence of Core Halogenation on the Electronic Structure of Naphthothiadiazole Derivatives

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