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Solution-Processable, Solid State Donor–Acceptor Materials for Singlet Fission

Masoomi-Godarzi, Saghar ; Liu, Maning LU orcid ; Tachibana, Yasuhiro ; Goerigk, Lars ; Ghiggino, Kenneth P. ; Smith, Trevor A. and Jones, David J. (2018) In Advanced Energy Materials 8(30).
Abstract

The exploitation of singlet fission (SF) materials in optoelectronic devices is restricted by the limited number of SF materials available and developing new organic materials that undergo singlet fission is a significant challenge. Using a new strategy based on conjugating strong donor and acceptor building blocks, the small molecule (BDT(DPP)2) and polymer (p-BDT-DPP) systems are designed and synthesized knowing that bisthiophene-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione (DPP) has a low lying triplet energy level, which is further confirmed by time-dependent density functional theory (TD-DFT) calculations. TD-DFT and natural transition orbital (NTO) analysis are conducted to gain insight into the photophysical properties... (More)

The exploitation of singlet fission (SF) materials in optoelectronic devices is restricted by the limited number of SF materials available and developing new organic materials that undergo singlet fission is a significant challenge. Using a new strategy based on conjugating strong donor and acceptor building blocks, the small molecule (BDT(DPP)2) and polymer (p-BDT-DPP) systems are designed and synthesized knowing that bisthiophene-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione (DPP) has a low lying triplet energy level, which is further confirmed by time-dependent density functional theory (TD-DFT) calculations. TD-DFT and natural transition orbital (NTO) analysis are conducted to gain insight into the photophysical properties and features of excited states in BDT(DPP)2, respectively. Femtosecond and nanosecond transient absorption spectroscopies are used to investigate the excited state kinetics in the synthesized compounds. Fast formation of triplet pairs in thin film of p-BDT-DPP and BDT(DPP)2 and the equilibrium formation of correlated triplet pairs and S1 from triplet–triplet annihilation in solution of BDT(DPP)2 are further evidence of SF in these compounds. The short triplet lifetime, as a result of fast biexcitonic recombination, provides additional support for triplet pair formation through singlet fission.

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author
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publishing date
type
Contribution to journal
publication status
published
subject
keywords
intramolecular singlet fission, organic photovoltaics, photophysics, singlet fission
in
Advanced Energy Materials
volume
8
issue
30
article number
1801720
publisher
Wiley-Blackwell
external identifiers
  • scopus:85053387855
ISSN
1614-6832
DOI
10.1002/aenm.201801720
language
English
LU publication?
no
id
49e9e183-818a-47de-89e8-fd6631d92aca
date added to LUP
2023-08-24 12:38:21
date last changed
2025-04-04 15:03:36
@article{49e9e183-818a-47de-89e8-fd6631d92aca,
  abstract     = {{<p>The exploitation of singlet fission (SF) materials in optoelectronic devices is restricted by the limited number of SF materials available and developing new organic materials that undergo singlet fission is a significant challenge. Using a new strategy based on conjugating strong donor and acceptor building blocks, the small molecule (BDT(DPP)<sub>2</sub>) and polymer (p-BDT-DPP) systems are designed and synthesized knowing that bisthiophene-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione (DPP) has a low lying triplet energy level, which is further confirmed by time-dependent density functional theory (TD-DFT) calculations. TD-DFT and natural transition orbital (NTO) analysis are conducted to gain insight into the photophysical properties and features of excited states in BDT(DPP)<sub>2</sub>, respectively. Femtosecond and nanosecond transient absorption spectroscopies are used to investigate the excited state kinetics in the synthesized compounds. Fast formation of triplet pairs in thin film of p-BDT-DPP and BDT(DPP)<sub>2</sub> and the equilibrium formation of correlated triplet pairs and S<sub>1</sub> from triplet–triplet annihilation in solution of BDT(DPP)<sub>2</sub> are further evidence of SF in these compounds. The short triplet lifetime, as a result of fast biexcitonic recombination, provides additional support for triplet pair formation through singlet fission.</p>}},
  author       = {{Masoomi-Godarzi, Saghar and Liu, Maning and Tachibana, Yasuhiro and Goerigk, Lars and Ghiggino, Kenneth P. and Smith, Trevor A. and Jones, David J.}},
  issn         = {{1614-6832}},
  keywords     = {{intramolecular singlet fission; organic photovoltaics; photophysics; singlet fission}},
  language     = {{eng}},
  month        = {{10}},
  number       = {{30}},
  publisher    = {{Wiley-Blackwell}},
  series       = {{Advanced Energy Materials}},
  title        = {{Solution-Processable, Solid State Donor–Acceptor Materials for Singlet Fission}},
  url          = {{http://dx.doi.org/10.1002/aenm.201801720}},
  doi          = {{10.1002/aenm.201801720}},
  volume       = {{8}},
  year         = {{2018}},
}