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Singlet fission in thin solid films of bis(thienyl)diketopyrrolopyrroles
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SYSNO ASEP 0536389 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Singlet fission in thin solid films of bis(thienyl)diketopyrrolopyrroles Author(s) Rais, David (UMCH-V) RID
Toman, Petr (UMCH-V) RID, ORCID
Pfleger, Jiří (UMCH-V) RID
Acharya, Udit (UMCH-V) RID, ORCID
Panthi, Yadu Ram (UMCH-V)
Menšík, Miroslav (UMCH-V) RID
Zhigunov, Alexander (UMCH-V) RID, ORCID
Thottappali, Muhammed Arshad (UMCH-V) RID
Vala, M. (CZ)
Marková, A. (CZ)
Stříteský, S. (CZ)
Weiter, M. (CZ)
Cigánek, M. (CZ)
Krajčovič, J. (CZ)
Pauk, K. (CZ)
Imramovský, A. (CZ)
Zaykov, Alexandr (UOCHB-X) ORCID
Michl, Josef (UOCHB-X) RID, ORCIDSource Title ChemPlusChem. - : Wiley - ISSN 2192-6506
Roč. 85, č. 12 (2020), s. 2689-2703Number of pages 15 s. Language eng - English Country DE - Germany Keywords optical spectroscopy ; photophysics ; singlet fission Subject RIV CD - Macromolecular Chemistry OECD category Polymer science Subject RIV - cooperation Institute of Organic Chemistry and Biochemistry - Organic Chemistry R&D Projects LTAUSA19066 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) GA19-22806S GA ČR - Czech Science Foundation (CSF) Research Infrastructure e-INFRA CZ - 90140 - CESNET, zájmové sdružení právnických osob Method of publishing Limited access Institutional support UMCH-V - RVO:61389013 ; UOCHB-X - RVO:61388963 UT WOS 000603402700020 EID SCOPUS 85098258192 DOI 10.1002/cplu.202000623 Annotation The singlet fission (SF) process discovered in bis(thienyl)diketopyrrolopyrroles (TDPPs) can boost their potential for photovoltaics (PV). The crystal structures of TDPP analogs carrying n‐hexyl, n‐butyl, or 2‐(adamant‐1‐yl)ethyl substituents are similar, but contain increasingly slipped stacked neighbor molecules. The observed SF rate constants, kSF, (7±4), (9±3) and (5.6±1.9) ns−1 for thin films of the three compounds, respectively, are roughly equal, but the triplet quantum yields vary strongly: (120±40), (160±40) and (70±16), respectively. The recent molecular pair model reproduces the near equality of all three kSF at the crystal geometries and identifies all possible pair arrangements in which SF is predicted to be faster, by up to two orders of magnitude. However, it is also clear that the presently non‐existent ability to predict the rates of processes competing with SF is pivotal for providing a guide for efforts to optimize the materials for PV. Workplace Institute of Macromolecular Chemistry Contact Eva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358 Year of Publishing 2021 Electronic address https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cplu.202000623
Number of the records: 1