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  On the Role of Nuclear Motion in Singlet Exciton Fission: The Case of Single-Crystal Pentacene

Neef, A., Rossi, M., Wolf, M., Ernstorfer, R., & Seiler, H. (2024). On the Role of Nuclear Motion in Singlet Exciton Fission: The Case of Single-Crystal Pentacene. Physica Status Solidi A, 221(1): 2300304. doi:10.1002/pssa.202300304.

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https://doi.org/10.1002/pssa.202300304 (Verlagsversion)
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 Urheber:
Neef, Alexander1, Autor
Rossi, M.1, 2, Autor           
Wolf, Martin1, Autor
Ernstorfer, Ralph1, 3, Autor
Seiler, Hélène1, 4, Autor
Affiliations:
1Department of Physical Chemistry, Fritz Haber Institute of the Max Planck Society, ou_persistent22              
2Simulations from Ab Initio Approaches, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_3185035              
3Institut für Optik und Atomare Physik, Technical University Berlin, ou_persistent22              
4Department of Physics, Freie Universität Berlin, ou_persistent22              

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 Zusammenfassung: Singlet exciton fission (SF), the formation of two triplet excitons from one singlet exciton, involves electronic, nuclear, and spin degrees of freedom as well as their couplings. Despite almost 60 years of research on this process, a complete microscopic understanding is still missing. One important open question concerns the role of nuclear motion in SF. In this perspective, recent results on the exciton dynamics are related to the structural dynamics of single-crystal pentacene and how they provide insights into that open question is shown. To probe the electronic dynamics, orbital-resolved measurements of the electronic structure are carried out using time- and angle-resolved photoemission spectroscopy. With femtosecond electron diffraction and with ab initio computations, the complementary nuclear dynamics is tracked. The results from both techniques are summarized, and how they relate to each other is discussed. Then, remaining open questions are outlined and potential routes are identified to tackle them, hopefully guiding future studies.

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Sprache(n): eng - English
 Datum: 2023-06-062023-04-182023-07-142024-01
 Publikationsstatus: Erschienen
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 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: DOI: 10.1002/pssa.202300304
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Grant ID : 682843
Förderprogramm : Horizon 2020 (H2020)
Förderorganisation : European Commission (EC)
Projektname : This work was funded by the Deutsche Forschungsgemeinschaft (DFG)—Projektnummer 182087777—SFB 951 (B17 and A13), the Max Planck Society, and the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (grant agreement no. ERC-2015-CoG-682843). H.Se. acknowledges support from the Swiss National Science Foundation under grant no. P2SKP_2184100. Open Access funding enabled and organized by Projekt DEAL.
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Quelle 1

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Titel: Physica Status Solidi A
  Andere : Physica Status Solidi A: Applications and Materials Science
  Kurztitel : Phys. Status Solidi (a)
Genre der Quelle: Zeitschrift
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Ort, Verlag, Ausgabe: Weinheim : Wiley-VCH
Seiten: - Band / Heft: 221 (1) Artikelnummer: 2300304 Start- / Endseite: - Identifikator: ISSN: 1862-6300
CoNE: https://pure.mpg.de/cone/journals/resource/1862630