Chemical Design Rules for Non-Fullerene Acceptors in Organic Solar Cells

Anastasia Markina; Kun Han Lin; Wenlan Liu; Carl Poelking; Yuliar Firdaus; Diego Rosas Villalva; Jafar I. Khan; Sri H.K. Paleti; George T. Harrison; Julien Gorenflot; Weimin Zhang; Stefaan De Wolf; Iain McCulloch; Thomas D. Anthopoulos; Derya Baran; Frédéric Laquai; Denis Andrienko

doi:10.1002/aenm.202102363

Chemical Design Rules for Non-Fullerene Acceptors in Organic Solar Cells

Anastasia Markina, Kun Han Lin, Wenlan Liu, Carl Poelking, Yuliar Firdaus, Diego Rosas Villalva, Jafar I. Khan, Sri H.K. Paleti, George T. Harrison, Julien Gorenflot, Weimin Zhang, Stefaan De Wolf, Iain McCulloch, Thomas D. Anthopoulos, Derya Baran, Frédéric Laquai, Denis Andrienko

Research output: Contribution to journal › Article › peer-review

58 Scopus citations

Abstract

Efficiencies of organic solar cells have practically doubled since the development of non-fullerene acceptors (NFAs). However, generic chemical design rules for donor-NFA combinations are still needed. Such rules are proposed by analyzing inhomogeneous electrostatic fields at the donor–acceptor interface. It is shown that an acceptor–donor–acceptor molecular architecture, and molecular alignment parallel to the interface, results in energy level bending that destabilizes the charge transfer state, thus promoting its dissociation into free charges. By analyzing a series of PCE10:NFA solar cells, with NFAs including Y6, IEICO, and ITIC, as well as their halogenated derivatives, it is suggested that the molecular quadrupole moment of ≈75 Debye Å balances the losses in the open circuit voltage and gains in charge generation efficiency.

Original language	English (US)
Article number	2102363
Journal	Advanced Energy Materials
Volume	11
Issue number	44
DOIs	https://doi.org/10.1002/aenm.202102363
State	Published - Nov 25 2021
Externally published	Yes

All Science Journal Classification (ASJC) codes

Renewable Energy, Sustainability and the Environment
General Materials Science

Keywords

design rules
donor–acceptor interface
non-fullerene acceptors
organic solar cells

Access to Document

10.1002/aenm.202102363

Cite this

Markina, A., Lin, K. H., Liu, W., Poelking, C., Firdaus, Y., Villalva, D. R., Khan, J. I., Paleti, S. H. K., Harrison, G. T., Gorenflot, J., Zhang, W., De Wolf, S., McCulloch, I., Anthopoulos, T. D., Baran, D., Laquai, F., & Andrienko, D. (2021). Chemical Design Rules for Non-Fullerene Acceptors in Organic Solar Cells. Advanced Energy Materials, 11(44), Article 2102363. https://doi.org/10.1002/aenm.202102363

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title = "Chemical Design Rules for Non-Fullerene Acceptors in Organic Solar Cells",

abstract = "Efficiencies of organic solar cells have practically doubled since the development of non-fullerene acceptors (NFAs). However, generic chemical design rules for donor-NFA combinations are still needed. Such rules are proposed by analyzing inhomogeneous electrostatic fields at the donor–acceptor interface. It is shown that an acceptor–donor–acceptor molecular architecture, and molecular alignment parallel to the interface, results in energy level bending that destabilizes the charge transfer state, thus promoting its dissociation into free charges. By analyzing a series of PCE10:NFA solar cells, with NFAs including Y6, IEICO, and ITIC, as well as their halogenated derivatives, it is suggested that the molecular quadrupole moment of ≈75 Debye {\AA} balances the losses in the open circuit voltage and gains in charge generation efficiency.",

keywords = "design rules, donor–acceptor interface, non-fullerene acceptors, organic solar cells",

author = "Anastasia Markina and Lin, {Kun Han} and Wenlan Liu and Carl Poelking and Yuliar Firdaus and Villalva, {Diego Rosas} and Khan, {Jafar I.} and Paleti, {Sri H.K.} and Harrison, {George T.} and Julien Gorenflot and Weimin Zhang and {De Wolf}, Stefaan and Iain McCulloch and Anthopoulos, {Thomas D.} and Derya Baran and Fr{\'e}d{\'e}ric Laquai and Denis Andrienko",

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year = "2021",

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day = "25",

doi = "10.1002/aenm.202102363",

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Markina, A, Lin, KH, Liu, W, Poelking, C, Firdaus, Y, Villalva, DR, Khan, JI, Paleti, SHK, Harrison, GT, Gorenflot, J, Zhang, W, De Wolf, S, McCulloch, I, Anthopoulos, TD, Baran, D, Laquai, F & Andrienko, D 2021, 'Chemical Design Rules for Non-Fullerene Acceptors in Organic Solar Cells', Advanced Energy Materials, vol. 11, no. 44, 2102363. https://doi.org/10.1002/aenm.202102363

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T1 - Chemical Design Rules for Non-Fullerene Acceptors in Organic Solar Cells

AU - Markina, Anastasia

AU - Lin, Kun Han

AU - Liu, Wenlan

AU - Poelking, Carl

AU - Firdaus, Yuliar

AU - Villalva, Diego Rosas

AU - Khan, Jafar I.

AU - Paleti, Sri H.K.

AU - Harrison, George T.

AU - Gorenflot, Julien

AU - Zhang, Weimin

AU - De Wolf, Stefaan

AU - McCulloch, Iain

AU - Anthopoulos, Thomas D.

AU - Baran, Derya

AU - Laquai, Frédéric

AU - Andrienko, Denis

PY - 2021/11/25

Y1 - 2021/11/25

N2 - Efficiencies of organic solar cells have practically doubled since the development of non-fullerene acceptors (NFAs). However, generic chemical design rules for donor-NFA combinations are still needed. Such rules are proposed by analyzing inhomogeneous electrostatic fields at the donor–acceptor interface. It is shown that an acceptor–donor–acceptor molecular architecture, and molecular alignment parallel to the interface, results in energy level bending that destabilizes the charge transfer state, thus promoting its dissociation into free charges. By analyzing a series of PCE10:NFA solar cells, with NFAs including Y6, IEICO, and ITIC, as well as their halogenated derivatives, it is suggested that the molecular quadrupole moment of ≈75 Debye Å balances the losses in the open circuit voltage and gains in charge generation efficiency.

AB - Efficiencies of organic solar cells have practically doubled since the development of non-fullerene acceptors (NFAs). However, generic chemical design rules for donor-NFA combinations are still needed. Such rules are proposed by analyzing inhomogeneous electrostatic fields at the donor–acceptor interface. It is shown that an acceptor–donor–acceptor molecular architecture, and molecular alignment parallel to the interface, results in energy level bending that destabilizes the charge transfer state, thus promoting its dissociation into free charges. By analyzing a series of PCE10:NFA solar cells, with NFAs including Y6, IEICO, and ITIC, as well as their halogenated derivatives, it is suggested that the molecular quadrupole moment of ≈75 Debye Å balances the losses in the open circuit voltage and gains in charge generation efficiency.

KW - design rules

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Chemical Design Rules for Non-Fullerene Acceptors in Organic Solar Cells

Abstract

All Science Journal Classification (ASJC) codes

Keywords

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