Unified model for singlet fission within a non-conjugated covalent pentacene dimer

Nature Communications
Bettina S BaselDirk M Guldi

Abstract

When molecular dimers, crystalline films or molecular aggregates absorb a photon to produce a singlet exciton, spin-allowed singlet fission may produce two triplet excitons that can be used to generate two electron-hole pairs, leading to a predicted ∼50% enhancement in maximum solar cell performance. The singlet fission mechanism is still not well understood. Here we report on the use of time-resolved optical and electron paramagnetic resonance spectroscopy to probe singlet fission in a pentacene dimer linked by a non-conjugated spacer. We observe the key intermediates in the singlet fission process, including the formation and decay of a quintet state that precedes formation of the pentacene triplet excitons. Using these combined data, we develop a single kinetic model that describes the data over seven temporal orders of magnitude both at room and cryogenic temperatures.

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Citations

Jan 13, 2018·Chemistry : a European Journal·Constantin HetzerRik R Tykwinski
Sep 18, 2018·Nanoscale·Christoph SchierlDirk M Guldi
Jun 9, 2019·Annual Review of Physical Chemistry·Andrew J Musser, Jenny Clark
Mar 5, 2020·Angewandte Chemie·Tobias UllrichDirk Michael Guldi
Feb 13, 2018·Physical Chemistry Chemical Physics : PCCP·Xuemin WangXiyou Li
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Nov 14, 2018·Nature Communications·Dominik LungerichKonstantin Amsharov
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Feb 3, 2020·The Journal of Chemical Physics·Nadezhda V KorovinaJustin C Johnson
Oct 13, 2018·Nature Communications·Daphné Lubert-PerquelChristopher W M Kay
Aug 3, 2019·The Journal of Chemical Physics·Andrew J MusserJenny Clark
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Sep 7, 2020·The Journal of Chemical Physics·Michelle ChenMichael R Wasielewski
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Nov 4, 2020·The Journal of Physical Chemistry. a·Kaia R ParentiLuis M Campos

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Methods Mentioned

BETA
electron paramagnetic resonance
column chromatography
differential scanning calorimetry
irradiating

Software Mentioned

Matlab
GAUSSIAN09

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