Formation of Occupied and Unoccupied Hybrid Bands at Interfaces between Metals and Organic Donors/Acceptors

David Gerbert, Oliver T. Hofmann, Petra Tegeder

Publikation: Beitrag in einer FachzeitschriftArtikelForschungBegutachtung

Abstract

Efficient charge transport in organic semiconductors and at their interfaces with electrodes is crucial for the performance of organic molecule-based electronic devices. Band formation fosters effective transport properties and can be found in organic single crystals of large π-stacking aromatic molecules. However, at molecule/metal interfaces, hybrid band formation and band dispersion is a rarely observed phenomenon. Using angle-resolved two-photon photoemission supported by density functional theory calculations, we demonstrate such band formation for two different molecule/metal systems, namely tetrathiafulvalene/Au(111) and tetrafluoro-tetracyanoquinodimethane/Au(111), in the energy region of occupied as well as unoccupied electronic states. In both cases, strong adsorbate/substrate interactions result in the formation of interface states because of hybridization between localized molecular states and delocalized metal bands. These interface states exhibit significant dispersions. Our study reveals that hybridization in combination with an extended well-ordered adsorption structure of the π-conjugated organic molecules is a striking concept to receive and experimentally observe band formation at molecule/metal interfaces.

Originalspracheenglisch
Seiten (von - bis)27554-27560
Seitenumfang7
FachzeitschriftJournal of Physical Chemistry C
Jahrgang122
Ausgabenummer48
DOIs
PublikationsstatusVeröffentlicht - 6 Dez 2018

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Metals
Molecules
metals
molecules
Interface states
Semiconducting organic compounds
organic semiconductors
Photoemission
Electronic states
Adsorbates
Dispersions
electronics
Transport properties
Density functional theory
Charge transfer
photoelectric emission
Photons
transport properties
Single crystals
density functional theory

ASJC Scopus subject areas

  • !!Electronic, Optical and Magnetic Materials
  • !!Energy(all)
  • !!Physical and Theoretical Chemistry
  • !!Surfaces, Coatings and Films

Dies zitieren

Formation of Occupied and Unoccupied Hybrid Bands at Interfaces between Metals and Organic Donors/Acceptors. / Gerbert, David; Hofmann, Oliver T.; Tegeder, Petra.

in: Journal of Physical Chemistry C, Jahrgang 122, Nr. 48, 06.12.2018, S. 27554-27560.

Publikation: Beitrag in einer FachzeitschriftArtikelForschungBegutachtung

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