Effects of Alkyl Spacer Length in Carbazole‐Based Self‐Assembled Monolayer Materials on Molecular Conformation and Organic Solar Cell Performance

Carbazole-based self-assembled monolayer (SAM) materials as hole transport layers (HTL) have led organic solar cells (OSCs) to state-of-the-art photovoltaic performance. Nonetheless, the impact of the alkyl spacer length of SAMs remains inadequately understood. To improve the knowledge, four dichloride-substituted carbazole-based SAMs (from 2Cl-2PACz to 2Cl-5PACz) with spacer lengths of 2-5 carbon atoms is developed. Single crystal analyses reveal that SAMs with shorter spacers exhibit stronger intermolecular interactions and denser packing. The molecular conformation of SAMs significantly impacts their molecular footprint and coverage on ITO. These factors result in the highest coverage of 2Cl-2PACz and the lowest coverage for 2Cl-3PACz on ITO. OSCs based on PM6:L8-BO with 2Cl-2PACz as HTL achieved high efficiencies of 18.95% and 18.62% with and without methanol rinsing of the ITO/SAMs anodes, corresponding to monolayer and multilayer structures, respectively. In contrast, OSCs utilizing the other SAMs showed decreased efficiencies as spacer length increased. The superior performance of 2Cl-2PACz can be attributed to its shorter spacer, which reduces series resistance, hole tunneling distance, and barrier. This work provides valuable insights into the design of SAMs for high-performance OSCs.

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Publication Details

Journal
Advanced Science
Published
2024-12-04
DOI
https://doi.org/10.1002/advs.202410277
Citations
20
Primary Topic
Organic Electronics and Photovoltaics
Type
article
Field-Weighted Citation Impact
4.17

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Effects of Alkyl Spacer Length in Carbazole‐Based Self‐Assembled Monolayer Materials on Molecular Conformation and Organic Solar Cell Performance

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article

Effects of Alkyl Spacer Length in Carbazole‐Based Self‐Assembled Monolayer Materials on Molecular Conformation and Organic Solar Cell Performance

C. Moysés Araújo, Kangbo Sun, Leandro R. Franco, Maureen Gumbo, Ergang Wang, Mailde S. Ozório, Lars Öhrström, Donghong Yu, Xianjie Liu, Ellen Moons, Mats Fahlman, André Johansson, Qiaonan Chen, Yufei Wang, Jingnan Wu, Guangye Zhang
article en
20 citations

Abstract

Carbazole-based self-assembled monolayer (SAM) materials as hole transport layers (HTL) have led organic solar cells (OSCs) to state-of-the-art photovoltaic performance. Nonetheless, the impact of the alkyl spacer length of SAMs remains inadequately understood. To improve the knowledge, four dichloride-substituted carbazole-based SAMs (from 2Cl-2PACz to 2Cl-5PACz) with spacer lengths of 2-5 carbon atoms is developed. Single crystal analyses reveal that SAMs with shorter spacers exhibit stronger intermolecular interactions and denser packing. The molecular conformation of SAMs significantly impacts their molecular footprint and coverage on ITO. These factors result in the highest coverage of 2Cl-2PACz and the lowest coverage for 2Cl-3PACz on ITO. OSCs based on PM6:L8-BO with 2Cl-2PACz as HTL achieved high efficiencies of 18.95% and 18.62% with and without methanol rinsing of the ITO/SAMs anodes, corresponding to monolayer and multilayer structures, respectively. In contrast, OSCs utilizing the other SAMs showed decreased efficiencies as spacer length increased. The superior performance of 2Cl-2PACz can be attributed to its shorter spacer, which reduces series resistance, hole tunneling distance, and barrier. This work provides valuable insights into the design of SAMs for high-performance OSCs.

Advanced ScienceVol. 12(4)
Linköping University (SE), Uppsala University (SE), University of Copenhagen (DK), Zhengzhou University (CN), Shenzhen Technology University (CN), Karlstad University (SE), Chalmers University of Technology (SE), Aalborg University (DK)
Stiftelsen för Strategisk Forskning, National Natural Science Foundation of China, Svenska Forskningsrådet Formas, National Science Council, Carl Tryggers Stiftelse för Vetenskaplig Forskning, Vetenskapsrådet, Energimyndigheten, Sino-Danish Center, Basic and Applied Basic Research Foundation of Guangdong Province
Openalex Percentile: Top 5%
Organic Electronics and Photovoltaics
4.17
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