ArticleJournal of fluorescence2026
Molecular Engineering of Azulene-Core Based Efficient Hole-Transport Materials for Perovskite Solar Cells Following D-π-A Motif: A DFT Study.
Article in Journal of fluorescence, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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1 citing paper in PubMed.
- Investigating Charge-Carrier Dynamics in Heteroatom-Functionalized Triphenylamine Hole Transport Materials for Perovskite Solar Cells.Journal of fluorescence · 2026Article
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7 authors.
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Abstract
Azulene-core-based hole-transporting materials (HTMs) are emerging as stable, efficient candidates for perovskite solar cells (PSCs). This study introduces five novel HTMs (AZU1-AZU5) featuring a donor-π-acceptor (D-π-A) framework, combining an azulene core with dimethoxy triphenylamine (DMTPA) and modified acceptor groups. Quantum chemical approach using density functional theory and time-dependent DFT revealed that these materials possess well-aligned HOMO energy levels (-5.25 to -5.32 eV), reduced exciton binding energies (0.10 to 0.20 eV), and strong absorption in the visible region (λ
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