Molecular Dioxygen-Mediated Passivation of Electron Traps in n-Type Organic Charge-Transfer Complexes

Gubanov K, Reva Y, Ritterhoff C, Candolfi F, Langford D, Herm M, Franz E, Crisp R, Hampel F, Krieger M, Späth A, Watts B, Libuda J, Weber HB, Meyer B, Guldi DM, Fink R (2026)

Publication Type: Journal article

Publication year: 2026

Journal

Angewandte Chemie International Edition Wiley

DOI: 10.1002/anie.9080202

Abstract

The inherent susceptibility of n-type organic semiconductors to molecular dioxygen (O2) results in electron trapping or in unintended p-doping, which in turn diminishes their electron mobility. This concept is challenged in the present study by exploring O2 interactions with organic charge-transfer complexes (CTCs), where electron donor–acceptor interactions generate partially delocalized electronic states. Using a CTC comprising a phenazine electron donor and a 7,7,8,8-tetracyanoquinodimethane (TCNQ) electron acceptor, we demonstrate that its exposure to O2 does not lead to electron extraction but instead enhances the charge-transfer activity. The increased electron density at the TCNQ acceptor upon CTC exposure to O2 is attributed to electron trap-states passivation by O2, without evidence of chemisorption. This passivation mitigates recombination losses, resulting in a threefold photoluminescence quantum yield increase, enhanced electrical conductivity, and improved charge-transfer state efficiency. Similar O2-mediated conductivity enhancements are observed across additional donor–acceptor pairs, proving the broader applicability of this effect, and paving the way for designing O2-enhanced advanced organic electronic materials.

Authors with CRIS profile

Kirill Gubanov Lehrstuhl für Physikalische Chemie II Yana Reva Lehrstuhl für Physikalische Chemie I Christian Ritterhoff Lehrstuhl für Theoretische Chemie Daniel Langford Lehrstuhl für Physikalische Chemie I Maximilian Herm Lehrstuhl für Physikalische Chemie I Evanie Franz Lehrstuhl für Katalytische Grenzflächenforschung Ryan Crisp Lehrstuhl für Chemistry of thin film materials Frank Hampel Lehrstuhl für Organische Chemie I Michael Krieger Chair of Applied Physics (LAP) Andreas Späth Lehrstuhl für Physikalische Chemie II Jörg Libuda Lehrstuhl für Katalytische Grenzflächenforschung Heiko Weber Chair of Applied Physics (LAP) Bernd Meyer Professur für Computational Chemistry Rainer Fink Professur für Physikalische Chemie

Involved external institutions

Paul Scherrer Institute (PSI) CH Switzerland (CH)

How to cite

APA:

Gubanov, K., Reva, Y., Ritterhoff, C., Candolfi, F., Langford, D., Herm, M.,... Fink, R. (2026). Molecular Dioxygen-Mediated Passivation of Electron Traps in n-Type Organic Charge-Transfer Complexes. Angewandte Chemie International Edition. https://doi.org/10.1002/anie.9080202

MLA:

Gubanov, Kirill, et al. "Molecular Dioxygen-Mediated Passivation of Electron Traps in n-Type Organic Charge-Transfer Complexes." Angewandte Chemie International Edition (2026).

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