Publication date: 5th November 2025
Phosphonic acid derivatives incorporating carbazole chromophores have become a widely adopted choice for the fabrication of perovskite solar cells. Recent studies have shown that extending carbazole core via π-expansion significantly enhances both device efficiency and stability compared to the benchmark compound 2PACz [1]. A key characteristic of π-expanded carbazole systems is their reduced molecular planarity due to increased steric hindrance, which enables the formation of two helically chiral isomers. However, in the case of such structurally simple compounds, enantiomeric separation remains unfeasible due to rapid racemization. Further expansion of the π-conjugated system enforces a rigid helical molecular framework with well-defined chirality into the HTM structure.
Introducing chirality opens up the potential for exploiting the chiral-induced spin selectivity (CISS) effect, offering prospects for novel applications in spintronic and optoelectronic devices [2]. This highlights the need to design materials that not only possess chirality but also fulfill the stringent electronic requirements of semiconductor applications.
Inspired by these considerations, we have investigated various synthetic approaches to further expand the π-system and construct chiral, helically twisted molecules capable of forming hole-selective monolayers. Synthesized racemic compound was tested in the p-i-n perovskite solar cell (ITO/SAM/3CAT/C60/BCP/Ag) and compared with 2PACz and MeO-2PACz. This report presents preliminary findings on the synthesis and characterization of these compounds.
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