研究目的
To clarify the peculiar role of helicene as kernal blocks in the exploration of unconventional organic semiconductors and compare it with its planar counterpart in terms of molecular packing, charge transport, and application in perovskite solar cells.
研究成果
The study concludes that T5H-OMeDPA maintains π-π stacking to a large extent, ensuring a large domain of molecular aggregate and a high hole mobility, leading to more efficient perovskite solar cells with improved hole transport and attenuated charge recombination compared to PET-OMeDPA.
研究不足
The study focuses on the comparison between T5H-OMeDPA and PET-OMeDPA, and the preparation of the perylo[1,12-bcd]furan (PEF) counterpart seems infeasible due to the lack of mature synthetic conditions for PEF.
1：Experimental Design and Method Selection:
The study involves the synthesis of T5H-OMeDPA and PET-OMeDPA, their characterization, and application in perovskite solar cells. Theoretical calculations based on quantum theory of atoms in molecules and energy decomposition analysis were used to analyze single-crystal structures.
2：Sample Selection and Data Sources:
Single-crystals suitable for X-ray analysis were grown via slow evaporation of nearly saturated solutions in the solvent mixture of dichloromethane and heptane.
3：List of Experimental Equipment and Materials:
The study utilized nuclear magnetic resonance, high-resolution mass spectra, ultraviolet photoelectron spectra, and AFM for characterization.
4：Experimental Procedures and Operational Workflow:
The synthesis involved duplicate bromination and Buchwald-Hartwig C?N cross-coupling. Hole-only devices were fabricated to assess thin film hole mobilities.
5：Data Analysis Methods:
The Marcus electron transfer theory and density functional theory were used to gain insights into the microscopic hole-transport mechanism.
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