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Charge photogeneration dynamics in non-fullerene polymer solar cells with fluorinated and non-fluorinated acceptors

Cai, Zekai ; Hu, Rong ; Xiao, Zijie ; Feng, Junyi ; Zou, Xianshao LU ; Wen, Guanzhao ; Dong, Geng and Zhang, Wei (2024) In Journal of Chemical Physics 160(7).
Abstract

In this work, charge photogeneration and recombination processes of PM6:IDIC-4F and PM6:IDIC blend films were investigated by the steady-state and time-resolved spectroscopies, as well as the time-dependent density functional theory calculations. The peaks in absorption and photoluminescence (PL) spectra of IDIC and IDIC-4F solutions were assigned by combining the experiment and the simulation of UV-vis absorption and PL spectra. For neat acceptor films, the exciton diffusion length of neat IDIC and IDIC-4F films was estimated as ∼28.9 and ∼19.9 nm, respectively. For PM6-based blend films, we find that the fluorine substitution engineering on the IDIC acceptor material can increase the phase separate size of acceptor material in blend... (More)

In this work, charge photogeneration and recombination processes of PM6:IDIC-4F and PM6:IDIC blend films were investigated by the steady-state and time-resolved spectroscopies, as well as the time-dependent density functional theory calculations. The peaks in absorption and photoluminescence (PL) spectra of IDIC and IDIC-4F solutions were assigned by combining the experiment and the simulation of UV-vis absorption and PL spectra. For neat acceptor films, the exciton diffusion length of neat IDIC and IDIC-4F films was estimated as ∼28.9 and ∼19.9 nm, respectively. For PM6-based blend films, we find that the fluorine substitution engineering on the IDIC acceptor material can increase the phase separate size of acceptor material in blend films, resulting in the reduction of dissociation efficiencies of acceptor excitons. In addition, we find that the charge recombination in PM6:IDIC-4F is dominated by bimolecular recombination, in comparison to geminate type carrier recombination in PM6:IDIC blend films. In addition, we find that thermal annealing treatment has a weak influence on carrier recombination but slightly reduces the exciton dissociation efficiency of acceptor in PM6:IDIC blend films, leading to a slightly reduced power conversion efficiency of PM6:IDIC solar cells. These results may shed light on the design of high-performance semiconductor molecules for application in solar cells.

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author
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organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Chemical Physics
volume
160
issue
7
article number
074702
publisher
American Institute of Physics (AIP)
external identifiers
  • pmid:38364001
  • scopus:85185344450
ISSN
0021-9606
DOI
10.1063/5.0177876
language
English
LU publication?
yes
id
73df0285-9cb5-40b6-b5a5-c6a202f9c45d
date added to LUP
2024-03-15 13:34:40
date last changed
2024-04-12 09:00:34
@article{73df0285-9cb5-40b6-b5a5-c6a202f9c45d,
  abstract     = {{<p>In this work, charge photogeneration and recombination processes of PM6:IDIC-4F and PM6:IDIC blend films were investigated by the steady-state and time-resolved spectroscopies, as well as the time-dependent density functional theory calculations. The peaks in absorption and photoluminescence (PL) spectra of IDIC and IDIC-4F solutions were assigned by combining the experiment and the simulation of UV-vis absorption and PL spectra. For neat acceptor films, the exciton diffusion length of neat IDIC and IDIC-4F films was estimated as ∼28.9 and ∼19.9 nm, respectively. For PM6-based blend films, we find that the fluorine substitution engineering on the IDIC acceptor material can increase the phase separate size of acceptor material in blend films, resulting in the reduction of dissociation efficiencies of acceptor excitons. In addition, we find that the charge recombination in PM6:IDIC-4F is dominated by bimolecular recombination, in comparison to geminate type carrier recombination in PM6:IDIC blend films. In addition, we find that thermal annealing treatment has a weak influence on carrier recombination but slightly reduces the exciton dissociation efficiency of acceptor in PM6:IDIC blend films, leading to a slightly reduced power conversion efficiency of PM6:IDIC solar cells. These results may shed light on the design of high-performance semiconductor molecules for application in solar cells.</p>}},
  author       = {{Cai, Zekai and Hu, Rong and Xiao, Zijie and Feng, Junyi and Zou, Xianshao and Wen, Guanzhao and Dong, Geng and Zhang, Wei}},
  issn         = {{0021-9606}},
  language     = {{eng}},
  month        = {{02}},
  number       = {{7}},
  publisher    = {{American Institute of Physics (AIP)}},
  series       = {{Journal of Chemical Physics}},
  title        = {{Charge photogeneration dynamics in non-fullerene polymer solar cells with fluorinated and non-fluorinated acceptors}},
  url          = {{http://dx.doi.org/10.1063/5.0177876}},
  doi          = {{10.1063/5.0177876}},
  volume       = {{160}},
  year         = {{2024}},
}