Regulating the Aggregation of Unfused Non-Fullerene Acceptors via Molecular Engineering towards Efficient Polymer Solar Cells

Yuxiang Li; Huiting Fu; Ziang Wu; Xin Wu; Mei Wang; Hongmei Qin; Francis Lin; Han Young Woo; Alex K.Y. Jen

doi:10.1002/cssc.202100746

Regulating the Aggregation of Unfused Non-Fullerene Acceptors via Molecular Engineering towards Efficient Polymer Solar Cells

Yuxiang Li, Huiting Fu, Ziang Wu, Xin Wu, Mei Wang, Hongmei Qin, Francis Lin, Han Young Woo, Alex K.Y. Jen

Department of Chemistry

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

22 Citations (Scopus)

Abstract

Tuning molecular aggregation via structure design to manipulate the film morphology still remains as a challenge for polymer solar cells based on unfused non-fullerene acceptors (UF-NFAs). Herein, a strategy was developed to modulate the aggregation patterns of UF-NFAs by systematically varying the π-bridge (D) unit and central core (A’) unit in A−D-A’−D−A framework (A and D refer to electron-withdrawing and electron-donating moieties, respectively). Specifically, the quantified contents of H- or J-aggregation and crystallite disorder of three UF-NFAs (BDIC2F, BCIC2F, and TCIC2F) were analyzed via UV/Vis spectrometry and grazing incidence X-ray scattering. The results showed that the H-aggregate-dominated BCIC2F with less crystallite disorder exhibited a more favorable blend morphology with polymer donor PBDB-T (poly[(2,6-(4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene)-co-(1,3-di(5-thiophene-2-yl)-5,7-bis(2-ethylhexyl)benzo[1,2-c:4,5-c']dithiophene-4,8-dione)]) relative the other two UF-NFAs, resulting in improved exciton dissociation and charge tranport. Consequently, photovoltaic devices based on BCIC2F delivered a promising power conversion efficiency of 12.4 % with an exceptionally high short-circuit current density of 22.1 mA cm⁻².

Original language	English
Pages (from-to)	3579-3589
Number of pages	11
Journal	ChemSusChem
Volume	14
Issue number	17
DOIs	https://doi.org/10.1002/cssc.202100746
Publication status	Published - 2021 Sept 6

Bibliographical note

Funding Information:
A. K.-Y. J. thanks for the sponsorship of the Lee Shau-Kee Chair Professor (Materials Science). This work was supported by the APRC Grants of the City University of Hong Kong (9380086), Innovation and Technology Bureau (ITS/497/18FP, GHP/021/18SZ), Guangdong-Hong Kong-Macao joint laboratory of optoelectronic and magnetic materials (2019B121205002), and Collaborative Research Fund grant (C5037-18G) from the Research Grants Council of Hong Kong, Guangdong Major Project of Basic and Applied Basic Research (2019B030302007), and the Office of Naval Research (N00014-20-1-2191). H.Y.W. thanks the financial support from the National Research Foundation (NRF) of Korea (NRF-2016M1A2A2940911 and 2019R1A6A1A11044070). Y. L. is grateful for the support from the Hong Kong Scholars Program (XJ2019-026), the Science and Technology Program of Shaanxi Province (2019JQ-244), the Outstanding Youth Science and Technology Foundation of Xi'an University of Science and Technology (2019YQ3-03).

Funding Information:
A. K.‐Y. J. thanks for the sponsorship of the Lee Shau‐Kee Chair Professor (Materials Science). This work was supported by the APRC Grants of the City University of Hong Kong (9380086), Innovation and Technology Bureau (ITS/497/18FP, GHP/021/18SZ), Guangdong‐Hong Kong‐Macao joint laboratory of optoelectronic and magnetic materials (2019B121205002), and Collaborative Research Fund grant (C5037‐18G) from the Research Grants Council of Hong Kong, Guangdong Major Project of Basic and Applied Basic Research (2019B030302007), and the Office of Naval Research (N00014‐20‐1‐2191). H.Y.W. thanks the financial support from the National Research Foundation (NRF) of Korea (NRF‐2016M1A2A2940911 and 2019R1A6A1A11044070). Y. L. is grateful for the support from the Hong Kong Scholars Program (XJ2019‐026), the Science and Technology Program of Shaanxi Province (2019JQ‐244), the Outstanding Youth Science and Technology Foundation of Xi'an University of Science and Technology (2019YQ3‐03).

Publisher Copyright:
© 2021 Wiley-VCH GmbH

Keywords

aggregation
morphology
organic semiconductors
photovoltaics
solar cells

ASJC Scopus subject areas

Environmental Chemistry
Chemical Engineering(all)
Materials Science(all)
Energy(all)

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1002/cssc.202100746

Cite this

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title = "Regulating the Aggregation of Unfused Non-Fullerene Acceptors via Molecular Engineering towards Efficient Polymer Solar Cells",

abstract = "Tuning molecular aggregation via structure design to manipulate the film morphology still remains as a challenge for polymer solar cells based on unfused non-fullerene acceptors (UF-NFAs). Herein, a strategy was developed to modulate the aggregation patterns of UF-NFAs by systematically varying the π-bridge (D) unit and central core (A{\textquoteright}) unit in A−D-A{\textquoteright}−D−A framework (A and D refer to electron-withdrawing and electron-donating moieties, respectively). Specifically, the quantified contents of H- or J-aggregation and crystallite disorder of three UF-NFAs (BDIC2F, BCIC2F, and TCIC2F) were analyzed via UV/Vis spectrometry and grazing incidence X-ray scattering. The results showed that the H-aggregate-dominated BCIC2F with less crystallite disorder exhibited a more favorable blend morphology with polymer donor PBDB-T (poly[(2,6-(4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene)-co-(1,3-di(5-thiophene-2-yl)-5,7-bis(2-ethylhexyl)benzo[1,2-c:4,5-c']dithiophene-4,8-dione)]) relative the other two UF-NFAs, resulting in improved exciton dissociation and charge tranport. Consequently, photovoltaic devices based on BCIC2F delivered a promising power conversion efficiency of 12.4 % with an exceptionally high short-circuit current density of 22.1 mA cm−2.",

keywords = "aggregation, morphology, organic semiconductors, photovoltaics, solar cells",

author = "Yuxiang Li and Huiting Fu and Ziang Wu and Xin Wu and Mei Wang and Hongmei Qin and Francis Lin and Woo, {Han Young} and Jen, {Alex K.Y.}",

note = "Funding Information: A. K.-Y. J. thanks for the sponsorship of the Lee Shau-Kee Chair Professor (Materials Science). This work was supported by the APRC Grants of the City University of Hong Kong (9380086), Innovation and Technology Bureau (ITS/497/18FP, GHP/021/18SZ), Guangdong-Hong Kong-Macao joint laboratory of optoelectronic and magnetic materials (2019B121205002), and Collaborative Research Fund grant (C5037-18G) from the Research Grants Council of Hong Kong, Guangdong Major Project of Basic and Applied Basic Research (2019B030302007), and the Office of Naval Research (N00014-20-1-2191). H.Y.W. thanks the financial support from the National Research Foundation (NRF) of Korea (NRF-2016M1A2A2940911 and 2019R1A6A1A11044070). Y. L. is grateful for the support from the Hong Kong Scholars Program (XJ2019-026), the Science and Technology Program of Shaanxi Province (2019JQ-244), the Outstanding Youth Science and Technology Foundation of Xi'an University of Science and Technology (2019YQ3-03). Funding Information: A. K.‐Y. J. thanks for the sponsorship of the Lee Shau‐Kee Chair Professor (Materials Science). This work was supported by the APRC Grants of the City University of Hong Kong (9380086), Innovation and Technology Bureau (ITS/497/18FP, GHP/021/18SZ), Guangdong‐Hong Kong‐Macao joint laboratory of optoelectronic and magnetic materials (2019B121205002), and Collaborative Research Fund grant (C5037‐18G) from the Research Grants Council of Hong Kong, Guangdong Major Project of Basic and Applied Basic Research (2019B030302007), and the Office of Naval Research (N00014‐20‐1‐2191). H.Y.W. thanks the financial support from the National Research Foundation (NRF) of Korea (NRF‐2016M1A2A2940911 and 2019R1A6A1A11044070). Y. L. is grateful for the support from the Hong Kong Scholars Program (XJ2019‐026), the Science and Technology Program of Shaanxi Province (2019JQ‐244), the Outstanding Youth Science and Technology Foundation of Xi'an University of Science and Technology (2019YQ3‐03). Publisher Copyright: {\textcopyright} 2021 Wiley-VCH GmbH",

year = "2021",

month = sep,

day = "6",

doi = "10.1002/cssc.202100746",

language = "English",

volume = "14",

pages = "3579--3589",

journal = "ChemSusChem",

issn = "1864-5631",

publisher = "Wiley-VCH Verlag",

number = "17",

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T1 - Regulating the Aggregation of Unfused Non-Fullerene Acceptors via Molecular Engineering towards Efficient Polymer Solar Cells

AU - Li, Yuxiang

AU - Fu, Huiting

AU - Wu, Ziang

AU - Wu, Xin

AU - Wang, Mei

AU - Qin, Hongmei

AU - Lin, Francis

AU - Woo, Han Young

AU - Jen, Alex K.Y.

N1 - Funding Information: A. K.-Y. J. thanks for the sponsorship of the Lee Shau-Kee Chair Professor (Materials Science). This work was supported by the APRC Grants of the City University of Hong Kong (9380086), Innovation and Technology Bureau (ITS/497/18FP, GHP/021/18SZ), Guangdong-Hong Kong-Macao joint laboratory of optoelectronic and magnetic materials (2019B121205002), and Collaborative Research Fund grant (C5037-18G) from the Research Grants Council of Hong Kong, Guangdong Major Project of Basic and Applied Basic Research (2019B030302007), and the Office of Naval Research (N00014-20-1-2191). H.Y.W. thanks the financial support from the National Research Foundation (NRF) of Korea (NRF-2016M1A2A2940911 and 2019R1A6A1A11044070). Y. L. is grateful for the support from the Hong Kong Scholars Program (XJ2019-026), the Science and Technology Program of Shaanxi Province (2019JQ-244), the Outstanding Youth Science and Technology Foundation of Xi'an University of Science and Technology (2019YQ3-03). Funding Information: A. K.‐Y. J. thanks for the sponsorship of the Lee Shau‐Kee Chair Professor (Materials Science). This work was supported by the APRC Grants of the City University of Hong Kong (9380086), Innovation and Technology Bureau (ITS/497/18FP, GHP/021/18SZ), Guangdong‐Hong Kong‐Macao joint laboratory of optoelectronic and magnetic materials (2019B121205002), and Collaborative Research Fund grant (C5037‐18G) from the Research Grants Council of Hong Kong, Guangdong Major Project of Basic and Applied Basic Research (2019B030302007), and the Office of Naval Research (N00014‐20‐1‐2191). H.Y.W. thanks the financial support from the National Research Foundation (NRF) of Korea (NRF‐2016M1A2A2940911 and 2019R1A6A1A11044070). Y. L. is grateful for the support from the Hong Kong Scholars Program (XJ2019‐026), the Science and Technology Program of Shaanxi Province (2019JQ‐244), the Outstanding Youth Science and Technology Foundation of Xi'an University of Science and Technology (2019YQ3‐03). Publisher Copyright: © 2021 Wiley-VCH GmbH

PY - 2021/9/6

Y1 - 2021/9/6

N2 - Tuning molecular aggregation via structure design to manipulate the film morphology still remains as a challenge for polymer solar cells based on unfused non-fullerene acceptors (UF-NFAs). Herein, a strategy was developed to modulate the aggregation patterns of UF-NFAs by systematically varying the π-bridge (D) unit and central core (A’) unit in A−D-A’−D−A framework (A and D refer to electron-withdrawing and electron-donating moieties, respectively). Specifically, the quantified contents of H- or J-aggregation and crystallite disorder of three UF-NFAs (BDIC2F, BCIC2F, and TCIC2F) were analyzed via UV/Vis spectrometry and grazing incidence X-ray scattering. The results showed that the H-aggregate-dominated BCIC2F with less crystallite disorder exhibited a more favorable blend morphology with polymer donor PBDB-T (poly[(2,6-(4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene)-co-(1,3-di(5-thiophene-2-yl)-5,7-bis(2-ethylhexyl)benzo[1,2-c:4,5-c']dithiophene-4,8-dione)]) relative the other two UF-NFAs, resulting in improved exciton dissociation and charge tranport. Consequently, photovoltaic devices based on BCIC2F delivered a promising power conversion efficiency of 12.4 % with an exceptionally high short-circuit current density of 22.1 mA cm−2.

AB - Tuning molecular aggregation via structure design to manipulate the film morphology still remains as a challenge for polymer solar cells based on unfused non-fullerene acceptors (UF-NFAs). Herein, a strategy was developed to modulate the aggregation patterns of UF-NFAs by systematically varying the π-bridge (D) unit and central core (A’) unit in A−D-A’−D−A framework (A and D refer to electron-withdrawing and electron-donating moieties, respectively). Specifically, the quantified contents of H- or J-aggregation and crystallite disorder of three UF-NFAs (BDIC2F, BCIC2F, and TCIC2F) were analyzed via UV/Vis spectrometry and grazing incidence X-ray scattering. The results showed that the H-aggregate-dominated BCIC2F with less crystallite disorder exhibited a more favorable blend morphology with polymer donor PBDB-T (poly[(2,6-(4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene)-co-(1,3-di(5-thiophene-2-yl)-5,7-bis(2-ethylhexyl)benzo[1,2-c:4,5-c']dithiophene-4,8-dione)]) relative the other two UF-NFAs, resulting in improved exciton dissociation and charge tranport. Consequently, photovoltaic devices based on BCIC2F delivered a promising power conversion efficiency of 12.4 % with an exceptionally high short-circuit current density of 22.1 mA cm−2.

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KW - morphology

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SN - 1864-5631

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IS - 17

ER -

Regulating the Aggregation of Unfused Non-Fullerene Acceptors via Molecular Engineering towards Efficient Polymer Solar Cells

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

UN SDGs

Access to Document

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