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RAIS, D. TOMAN, P. ACHARYA, U. PANTHI, Y.R. MENŠÍK, M. ZHIGUNOV, A. THOTTAPPALI, M.A. PFLEGER, J. VALA, M. MARKOVÁ, A. STŘÍTESKÝ, S. WEITER, M. CIGÁNEK, M. KRAJČOVIČ, J. PAUK, K. IMRAMOVSKÝ, A. ZAYKOV, A. MICHL, J.
Original Title
Singlet Fission in Thin Solid Films of Bis(thienyl)diketopyrrolopyrroles
Type
journal article in Web of Science
Language
English
Original Abstract
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.
Keywords
optical spectroscopy, photophysics, singlet fission, thin films, triplet excitons
Authors
RAIS, D.; TOMAN, P.; ACHARYA, U.; PANTHI, Y.R.; MENŠÍK, M.; ZHIGUNOV, A.; THOTTAPPALI, M.A.; PFLEGER, J.; VALA, M.; MARKOVÁ, A.; STŘÍTESKÝ, S.; WEITER, M.; CIGÁNEK, M.; KRAJČOVIČ, J.; PAUK, K.; IMRAMOVSKÝ, A.; ZAYKOV, A.; MICHL, J.
Released
1. 12. 2020
Publisher
Wiley-VCH
ISBN
2192-6506
Periodical
ChemPlusChem
Year of study
2020
Number
85
State
Federal Republic of Germany
Pages from
2689
Pages to
2703
Pages count
15
URL
https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cplu.202000623
BibTex
@article{BUT165738, author="RAIS, D. and TOMAN, P. and ACHARYA, U. and PANTHI, Y.R. and MENŠÍK, M. and ZHIGUNOV, A. and THOTTAPPALI, M.A. and PFLEGER, J. and VALA, M. and MARKOVÁ, A. and STŘÍTESKÝ, S. and WEITER, M. and CIGÁNEK, M. and KRAJČOVIČ, J. and PAUK, K. and IMRAMOVSKÝ, A. and ZAYKOV, A. and MICHL, J.", title="Singlet Fission in Thin Solid Films of Bis(thienyl)diketopyrrolopyrroles", journal="ChemPlusChem", year="2020", volume="2020", number="85", pages="2689--2703", doi="10.1002/cplu.202000623", issn="2192-6506", url="https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cplu.202000623" }