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Modulation of Molecular Stacking via Tuning 2-Ethylhexyl Alkyl Chain Enables Improved Efficiency for All-Small-Molecule Organic Solar Cells

2023; American Chemical Society; Volume: 15; Issue: 8 Linguagem: Inglês

10.1021/acsami.3c00167

1944-8252

Jinfeng Ge, Zhenyu Chen, Qinrui Ye, Lin Xie, Wei Song, Yuntong Guo, Jinna Zhang, Xinyu Tong, Jianqi Zhang, Erjun Zhou, Zhixiang Wei, Ziyi Ge,

Perovskite Materials and Applications

There is always a dilemma between strong π-π stacking/crystallinity and suitable domain size for all-small-molecule organic solar cells (ASM-OSCs), which puts forward higher requirements for the design of molecular donors. In this work, a series of novel molecular donors with different positional 2-ethylhexy (EH) attachments are designed and synthesized, named SM-R, SM-REH, SM-EH-R, and SM-EH-REH. It is found that EH-substitution on end groups (SM-REH) enables improved π-π interaction and crystallinity but with decreased solubility and phase size, leading to the improved efficiency of 15.6% as compared to 14.0% of SM-R. In contrast, EH-substitution on the π-bridge (SM-EH-R) significantly suppresses π-π stacking and increases the solubility, resulting in the lower efficiency of 11.9%. The further EH-substitution on end-groups of SM-EH-R, namely, SM-EH-REH, recovers the π-π stacking strength and obtains a moderate efficiency of 14.4%. Despite the higher crystallinity and increased π-π stacking in some molecules, the blend films show the gradually decreased domain size in the sequence of SM-R, SM-REH, SM-EH-R, and SM-EH-REH owing to the steric hindrance of the EH-chain. Overall, this work indicates that obtaining the higher π-π stacking/crystallinity and decreased domain size is achievable by tuning the EH-chain substitution, which paves the way to further improve the photovoltaic performance of ASM-OSCs.