Rationally Tuning Blend Miscibility of Polymer Donor and Nonfullerene Acceptor for Constructing Efficient Organic Solar Cells※

doi:10.6023/A21120620

Acta Chimica Sinica ›› 2022, Vol. 80 ›› Issue (6): 724-733.DOI: 10.6023/A21120620 Previous Articles Next Articles

Special Issue: 中国科学院青年创新促进会合辑

Article

理性调控聚合物给体-非富勒烯受体的混溶性制备高效率有机太阳能电池^※

林文源^a^,^b, 朱清哲^a^,^b, 马云龙^b^,^*(), 王鹏^b^,^e, 万硕^b^,^d, 郑庆东^b^,^c^,^*()

a 福州大学化学学院福州 350108
b 中国科学院福建物质结构研究所结构化学国家重点实验室福州 350002
c 南京大学现代工程与应用科学学院南京 210093
d 中国科学院大学北京 100049
e 上海科技大学物质科学与技术学院上海 201210

投稿日期:2021-12-31 发布日期:2022-07-07
通讯作者: 马云龙, 郑庆东
作者简介:
^※庆祝中国科学院青年创新促进会十年华诞.
基金资助:
国家自然科学基金(22075287); 国家自然科学基金(52130306); 中科院青年创新促进会项目(2021000060)

Rationally Tuning Blend Miscibility of Polymer Donor and Nonfullerene Acceptor for Constructing Efficient Organic Solar Cells^※

Wenyuan Lin^a^,^b, Qingzhe Zhu^a^,^b, Yunlong Ma^b(), Peng Wang^b^,^e, Shuo Wan^b^,^d, Qingdong Zheng^b^,^c()

a College of Chemistry, Fuzhou University, Fuzhou 350108
b State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002
c College of Engineering and Applied Sciences, Nanjing University, Nanjing 210093
d University of Chinese Academy of Sciences, Beijing 100049
e School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210

Received:2021-12-31 Published:2022-07-07
Contact: Yunlong Ma, Qingdong Zheng
About author:
^※Dedicated to the 10th anniversary of the Youth Innovation Promotion Association, CAS.
Supported by:
National Natural Science Foundation of China(22075287); National Natural Science Foundation of China(52130306); Program of Youth Innovation Promotion Association CAS(2021000060)

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Abstract

Besides the design and synthesis of nonfullerene acceptors, the selection of polymer donors is also critical in determining the photovoltaic performance of nonfullerene organic solar cells (OSCs). However, the selection criteria of polymer donors for nonfullerene OSCs has been rarely investigated. In this work, a novel nonfullerene acceptor (MDB) with sp³-hybridized-carbon-free ladder-type skeleton was developed and used as a model compound to study the effects of miscibility and molecular ordering in determining the performance of MDB-based solar cells. In order to achieve matched energy levels and complementary absorption, three wide-bandgap polymers (PM6, J71, and P3HT) with different chemical structures were selected to blend with MDB for OSCs. The donor:acceptor miscibilities of the three blends were estimated by contact angle measurements, while their crystallinity and phase separation were investigated by grazing incidence wide-angle X-ray scattering characterization and atomic force microscopy measurement, respectively. The interfacial tension values between MDB and PM6, MDB and J71, as well as MDB and P3HT were determined as 0.49, 0.16, and 2.00 mN•m^–1, in that order. Owing to the proper miscibility between MDB and PM6, the resulting blend film exhibits suitable phase separation, “face-on” molecular orientation as well as compact molecular π-π stacking, which promotes carrier transport and suppresses bimolecular recombination. As a result, the best-performance OSC based on PM6:MDB delivered an outstanding PCE of 13.26%. In contrast, J71:MDB-based devices exhibited a lower PCE of 8.16%, due to the excessively high miscibility of J71 and MDB. As for P3HT:MDB-based devices, the poor miscibility between P3HT and MDB provides the driving force for the formation of large phase separation, which leads to an extremely low PCE of 0.45%. This work demonstrates that suitable miscibility is one of the key factors to achieve high-performance OSCs, which is an important guideline for the design and selection of next-generation photovoltaic materials.

Key words: organic solar cells, nonfullerene acceptors, polymer donors, miscibility, power conversion efficiency

Cite this article

Wenyuan Lin, Qingzhe Zhu, Yunlong Ma, Peng Wang, Shuo Wan, Qingdong Zheng. Rationally Tuning Blend Miscibility of Polymer Donor and Nonfullerene Acceptor for Constructing Efficient Organic Solar Cells^※[J]. Acta Chimica Sinica, 2022, 80(6): 724-733.

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Fig. & Tab. 9

Figure 1. Synthetic route of the acceptor MDB

Figure 2. (a) Molecular structures of PM6, J71 and P3HT; (b) normalized absorption spectra of MDB, PM6, J71, and P3HT in solution or thin film state; (c) energy level diagram of the materials utilized in this work

Molecule	ε/(×10⁵ L•mol^–1•cm^–1)	λ_max^solution^a/nm	λ_max^film^b/nm	E_g^opt^c/eV	HOMO^d/eV	LUMO^d/eV
MDB	2.06	745	771	1.39	–5.58	–3.97

Table 1. Optical and electrochemical properties of MDB

Figure 3. (a) J-V curves and (b) EQE spectra of the best-performing PSC devices based on PM6:MDB, J71:MDB, and P3HT:MDB

D:A	V_oc^a/V	J_sc^a/(mA•cm^–2)	Integrated J_sc^b/(mA•cm^–2)	FF^a/%	PCE^a/%
PM6:MDB	0.91 (0.91±0.01)	21.64 (21.58±0.23)	21.00	67.65 (66.92±1.32)	13.26 (13.14±0.12)
J71:MDB	0.92 (0.92±0.01)	17.26 (17.13±0.31)	17.09	51.46 (50.89±3.26)	8.16 (8.02±0.22)
P3HT:MDB	0.48 (0.48±0.01)	2.07 (2.03±0.11)	1.98	45.08 (42.11±4.26)	0.45 (0.41±0.08)

Table 2. Photovoltaic parameters of the devcies based on PM6:MDB, J71:MDB, and P3HT:MDB

Figure 4. (a) Jph-Veff curves; (b) hole and electron mobilities; (c) Jsc versus Plight characteristics and (d) Voc versus Plight characteristics of the devices based on MDB with different donors

Figure 5. AFM height images and the corresponding adhesion images of (a, d) PM6:MDB, (b, e) J71:MDB, and (c, f) P3HT:MDB blend films (500 nm×500 nm)

Figure 6. (a) Contact angle images of water and diiodomethane droplets on the neat films of MDB, PM6, J71 and P3HT; (b) dispersion (γd) and polarity (γp) components of MDB, PM6, J71 and P3HT; (c) interfacial tension (γA-B) and Flory-Huggins interaction parameters (χA-B) between MDB and different donors

Figure 7. (a~d) The 2D GIWAXS patterns, and (e) corresponding in-plane (IP) and out-of-plane (OOP) 1D integral curves of pure MDB film, PM6:MDB, J71:MDB, and P3HT:MDB blend films

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理性调控聚合物给体-非富勒烯受体的混溶性制备高效率有机太阳能电池^※

Rationally Tuning Blend Miscibility of Polymer Donor and Nonfullerene Acceptor for Constructing Efficient Organic Solar Cells^※

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理性调控聚合物给体-非富勒烯受体的混溶性制备高效率有机太阳能电池※

Rationally Tuning Blend Miscibility of Polymer Donor and Nonfullerene Acceptor for Constructing Efficient Organic Solar Cells※

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Abstract

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References 50

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理性调控聚合物给体-非富勒烯受体的混溶性制备高效率有机太阳能电池^※

Rationally Tuning Blend Miscibility of Polymer Donor and Nonfullerene Acceptor for Constructing Efficient Organic Solar Cells^※