研究目的
Investigating the development and design strategy of hole transport materials for perovskite solar cells to improve their photoelectric conversion efficiency.
研究成果
The study concludes that thiophene and selenophene bridged triptycene and triphenylamine can extend a large conjugated structure, designing novel hole transport materials TTT and TST with predicted HOMO energy levels of -5.27eV and -5.33eV, respectively, achieving better energy level matching with the perovskite active layer.
研究不足
The study is limited to theoretical design and simulation predictions without experimental validation of the designed materials' performance in actual perovskite solar cells.
1：Experimental Design and Method Selection:
The study reviews the development of hole transport materials in perovskite solar cells and designs novel materials based on density functional theory simulations.
2：Sample Selection and Data Sources:
The research focuses on inorganic materials, organic small molecular materials, and polymer materials used in perovskite solar cells.
3：List of Experimental Equipment and Materials:
The study involves simulation calculations using Gauss 09 software for energy level predictions.
4：Experimental Procedures and Operational Workflow:
The design strategy involves introducing benzodithiophene units, dendritic trithiophene, and triphenylamine groups to create novel hole transport materials.
5：Data Analysis Methods:
The energy levels of the designed materials are predicted using density functional theory simulations.
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