Correlation of Dimer-Linker-Induced Conformational Lock with Nonradiative Energy Loss in Organic Solar Cells

Gao, Huanhuan; Fan, Baobing; Yu, Liyang; Wang, Yiwen; Li, Ruipeng; Jiang, Wenlin; Chen, Tianqi; Zeng, Jie; Lin, Francis R.; Kan, Bin; Li, Hongxiang; Wang, Lei; Jen, Alex K.-Y.

doi:10.1021/acsenergylett.4c02429

Correlation of Dimer-Linker-Induced Conformational Lock with Nonradiative Energy Loss in Organic Solar Cells

Journal Article · Fri Oct 25 00:00:00 EDT 2024 · ACS Energy Letters

DOI:https://doi.org/10.1021/acsenergylett.4c02429· OSTI ID:2588524

Gao, Huanhuan ^[1]; ^[2]; Yu, Liyang ^[3]; Wang, Yiwen ^[4]; ^[5]; Jiang, Wenlin ^[2]; Chen, Tianqi ^[6]; Zeng, Jie ^[2]; ^[2]; Kan, Bin ^[6]; Li, Hongxiang ^[7]; ^[8]; ^[2]

Xi’an Shiyou Univ. (China); City Univ. of Hong Kong, Kowloon (Hong Kong)
City Univ. of Hong Kong, Kowloon (Hong Kong)
Sichuan Univ. (China)
Jinan Univ., Guangzhou, Guangdong (China)
Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)
Nankai Univ., Tianjin (China)
Sichuan Univ., Chengdu (China)
Xi’an Shiyou Univ. (China)

The efficiencies of dimer-based devices still lag those of their small molecule-based counterparts. This is primarily due to the considerable dihedrals in the dimer skeleton, which compromises the molecular packing, thus influencing the charge generation and nonradiative voltage loss (ΔV_oc,nr). Herein, we developed two dimeric acceptors with varied π-linkers to investigate the influence of linker-induced conformational lock on ΔV_oc,nr. We find that the helically lapped O-shaped dimer delivers better intermolecular packing than the planar S-shaped one that incorporates a bulkier π-linker. However, its planar skeleton is instead more favorable for forming a compact and ordered stacking with the host acceptor in ternary blend. This possibly promotes exciton dissociation, thus reducing the nonradiative decay of excited states. Moreover, its longer exciton lifetime could offer additional charge-transfer channels. Finally, these contributions effectively minimize ΔV_oc,nr to 0.195 eV, while delivering a high efficiency approaching 20% in the derived ternary device.

View Accepted Manuscript (DOE)

Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: SC0012704

OSTI ID:: 2588524

Report Number(s):: BNL--228918-2025-JAAM

Journal Information:: ACS Energy Letters, Journal Name: ACS Energy Letters Journal Issue: 11 Vol. 9; ISSN 2380-8195

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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