研究目的
To develop high-performance perylene diimide (PDI) derivatives for nonfullerene polymer solar cells (NF-PSCs) through smart molecular design and supramolecular morphology optimization.
研究成果
The study successfully developed three novel PDI-based SMAs with progressively modulated molecular conformation, energy levels, and electronic properties. The TPO-PDI-based NF-PSCs achieved a record PCE of 11.01% through the joint “molecular lock” effect of OH???F and OH???OP supramolecular interactions, which improved crystallinity and promoted phase separation. This work offers a guideline for designing high-performance PDI-based SMAs and a morphology optimization strategy for efficient NF-PSCs.
研究不足
The study focuses on the design and optimization of PDI-based SMAs for NF-PSCs, but the practical application and scalability of these materials in industrial production are not extensively discussed.
1：Experimental Design and Method Selection
The study involved the design and synthesis of three PDI derivatives with different central cores (TPP, TPO, TPS) to investigate their effects on the molecular conformation, energy levels, and electronic properties. The photovoltaic properties were evaluated using a device structure of glass/indium tin oxide (ITO)/ZnO/PTTEA:SMA/MoO3/Al.
2：Sample Selection and Data Sources
The PDI derivatives were synthesized and characterized using NMR spectroscopy, mass spectrometry, and elemental analysis. The photovoltaic properties were measured under AM 1.5G 100 mW cm?2 illumination.
3：List of Experimental Equipment and Materials
Cyclic voltammetry (CV) for energy levels, atomic force microscopy (AFM) and transmission electron microscopy (TEM) for morphology studies, 2D grazing incidence wide-angle X-ray scattering (2D-GIWAXS) for crystallinity studies, and resonant soft X-ray scattering (R-SoXS) for phase separation studies.
4：Experimental Procedures and Operational Workflow
The active layer solutions were prepared with a polymer concentration of 9 mg mL?1 in 1,2,4-trimethylbenzene (TMB). The detailed device fabrication procedure is presented in the Supporting Information.
5：Data Analysis Methods
The charge carrier mobilities were evaluated using the space charge limited current (SCLC) method. The crystallinity and phase separation were analyzed using 2D-GIWAXS and R-SoXS measurements.
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