Singlet fission in thin solid films of bis(thienyl)diketopyrrolopyrroles

0536389 - ÚMCH 2021 RIV DE eng J - Článek v odborném periodiku
Rais, David - Toman, Petr - Pfleger, Jiří - Acharya, Udit - Panthi, Yadu Ram - Menšík, Miroslav - Zhigunov, Alexander - Thottappali, Muhammed Arshad - Vala, M. - Marková, A. - Stříteský, S. - Weiter, M. - Cigánek, M. - Krajčovič, J. - Pauk, K. - Imramovský, A. - Zaykov, Alexandr - Michl, Josef
Singlet fission in thin solid films of bis(thienyl)diketopyrrolopyrroles.
ChemPlusChem. Roč. 85, č. 12 (2020), s. 2689-2703. ISSN 2192-6506. E-ISSN 2192-6506
Grant CEP: GA MŠMT(CZ) LTAUSA19066; GA ČR(CZ) GA19-22806S
Výzkumná infrastruktura: e-INFRA CZ - 90140
Institucionální podpora: RVO:61389013 ; RVO:61388963
Klíčová slova: optical spectroscopy * photophysics * singlet fission
Obor OECD: Polymer science; Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis) (UOCHB-X)
Impakt faktor: 2.863, rok: 2020
Způsob publikování: Omezený přístup
https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cplu.202000623

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.
Trvalý link: http://hdl.handle.net/11104/0314626