研究目的
Investigating the effects of constitutional isomerization and fluorination on the photovoltaic performance of nonfullerene acceptors based on a naphthalene-bisthienothiophene core.
研究成果
The asymmetric NFAs N65-IC and N65-2FIC exhibited superior photovoltaic performance compared to their axisymmetric counterparts, attributed to their red-shifted absorption, higher crystallinity, and better π-π stacking. The fluorinated N65-2FIC showed the highest efficiency and promising device stability, indicating the potential of asymmetric and fluorinated NFAs for high-performance organic solar cells.
研究不足
The study is limited to the specific NFAs based on a naphthalene-bisthienothiophene core and their photovoltaic performance. The generalizability of the findings to other NFAs or solar cell configurations may require further investigation.
1：Experimental Design and Method Selection:
The study involved the synthesis of two pairs of constitutional isomers of fused-octacyclic nonfullerene acceptors (NFAs) based on a naphthalene-bisthienothiophene core with or without fluorination at the ending groups. The optical, electrochemical, and photovoltaic properties of these NFAs were systematically investigated.
2：Sample Selection and Data Sources:
The NFAs were synthesized and characterized using 1H NMR, 13C NMR, and MS. Their optical properties were measured using UV-vis absorption spectra, and their electrochemical properties were estimated using cyclic voltammetry.
3：List of Experimental Equipment and Materials:
The synthesis involved the use of phosphorus oxychloride (POCl3), N,N-dimethylformamide (DMF), and other reagents. The photovoltaic performance was evaluated using inverted structure solar cells with ITO/ZnO/active layer/MoO3/Ag configuration.
4：Experimental Procedures and Operational Workflow:
The NFAs were synthesized via Suzuki coupling reaction, Friedel-Craft alkylation, Vilsmeier-Haack reactions, and Knoevenagel condensation. The solar cells were fabricated and their performance was measured under simulated solar light.
5：Data Analysis Methods:
The data were analyzed using density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations to understand the molecular properties and their impact on photovoltaic performance.
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