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External electric field-dependent photoinduced charge transfer in non-fullerene organic solar cells

Wang, Xinyue ; Wang, Hongxiang ; Zhang, Meixia ; Pullerits, Tõnu LU and Song, Peng (2023) In Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 284.
Abstract

Based on Marcus theory, the photoinduced electron transfer properties of D-A type non-fullerene acceptor organic solar cells (OSCs) under the dependence of external electric field (Fext) were investigated. The research results shown that the charge transfer mode under different Fext intensities changes with certain regularity. Focusing on the important parameters (ΔG, λ, and VDA) that affect the charge transfer rate, it was found that both charge separation (|ΔGCS|>λ(1.3019 vs 0.8275 eV at Fext = 0) and charge recombiation (|ΔGCR|>λ, (1.9633 vs 0.8275 eV)) processes occur in the Marcus inverted region. The ΔGCS is relatively sensitive to Fext,... (More)

Based on Marcus theory, the photoinduced electron transfer properties of D-A type non-fullerene acceptor organic solar cells (OSCs) under the dependence of external electric field (Fext) were investigated. The research results shown that the charge transfer mode under different Fext intensities changes with certain regularity. Focusing on the important parameters (ΔG, λ, and VDA) that affect the charge transfer rate, it was found that both charge separation (|ΔGCS|>λ(1.3019 vs 0.8275 eV at Fext = 0) and charge recombiation (|ΔGCR|>λ, (1.9633 vs 0.8275 eV)) processes occur in the Marcus inverted region. The ΔGCS is relatively sensitive to Fext, and the calculated ΔGCS at different Fext intensities yields an increment of 0.0073 eV, which is also the main reason for the increase in the rate of charge separation. The ΔGCR ranges between −1.9633 and −1.9637 eV, is insensitive to Fext, and ΔGCR is significantly smaller than ΔGCS, which makes the charge recombination rate significantly smaller than the charge separation rate. For VDA, it is found that VDA will transition to a new level only when the Fext intensity reaches a certain intensity, which also enables to obtain a faster charge separation rate. By studying the charge transfer parameters in different polar solvents, it is found that polar solvents can indeed increase the charge transfer rate. To a certain extent, our results also demonstrate that the addition of Fext can further improve the performance of non-fullerene acceptor OSCs.

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author
; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Charge recombination, Charge separation, External electric fields, Non-fullerene acceptors
in
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
volume
284
article number
121763
publisher
Elsevier
external identifiers
  • scopus:85137158269
  • pmid:36063736
ISSN
1386-1425
DOI
10.1016/j.saa.2022.121763
language
English
LU publication?
yes
id
d36230ca-13e3-4726-8f5e-621b68c67e46
date added to LUP
2022-10-14 07:46:24
date last changed
2024-06-27 21:30:03
@article{d36230ca-13e3-4726-8f5e-621b68c67e46,
  abstract     = {{<p>Based on Marcus theory, the photoinduced electron transfer properties of D-A type non-fullerene acceptor organic solar cells (OSCs) under the dependence of external electric field (F<sub>ext</sub>) were investigated. The research results shown that the charge transfer mode under different F<sub>ext</sub> intensities changes with certain regularity. Focusing on the important parameters (ΔG, λ, and V<sub>DA</sub>) that affect the charge transfer rate, it was found that both charge separation (|ΔG<sub>CS</sub>|&gt;λ(1.3019 vs 0.8275 eV at F<sub>ext</sub> = 0) and charge recombiation (|ΔG<sub>CR</sub>|&gt;λ, (1.9633 vs 0.8275 eV)) processes occur in the Marcus inverted region. The ΔG<sub>CS</sub> is relatively sensitive to F<sub>ext</sub>, and the calculated ΔG<sub>CS</sub> at different F<sub>ext</sub> intensities yields an increment of 0.0073 eV, which is also the main reason for the increase in the rate of charge separation. The ΔG<sub>CR</sub> ranges between −1.9633 and −1.9637 eV, is insensitive to F<sub>ext</sub>, and ΔG<sub>CR</sub> is significantly smaller than ΔG<sub>CS</sub>, which makes the charge recombination rate significantly smaller than the charge separation rate. For V<sub>DA</sub>, it is found that V<sub>DA</sub> will transition to a new level only when the F<sub>ext</sub> intensity reaches a certain intensity, which also enables to obtain a faster charge separation rate. By studying the charge transfer parameters in different polar solvents, it is found that polar solvents can indeed increase the charge transfer rate. To a certain extent, our results also demonstrate that the addition of F<sub>ext</sub> can further improve the performance of non-fullerene acceptor OSCs.</p>}},
  author       = {{Wang, Xinyue and Wang, Hongxiang and Zhang, Meixia and Pullerits, Tõnu and Song, Peng}},
  issn         = {{1386-1425}},
  keywords     = {{Charge recombination; Charge separation; External electric fields; Non-fullerene acceptors}},
  language     = {{eng}},
  month        = {{01}},
  publisher    = {{Elsevier}},
  series       = {{Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy}},
  title        = {{External electric field-dependent photoinduced charge transfer in non-fullerene organic solar cells}},
  url          = {{http://dx.doi.org/10.1016/j.saa.2022.121763}},
  doi          = {{10.1016/j.saa.2022.121763}},
  volume       = {{284}},
  year         = {{2023}},
}