研究目的
Investigating the use of homo-conjugated norbornylogous bridged spacers in dye-sensitized solar cells to suppress agglomeration of dye molecules and improve efficiency.
研究成果
The study demonstrates that homo-conjugated norbornylogous bridged spacers can effectively suppress agglomeration of dye molecules in DSSCs and improve their efficiency. The designed dyes show promising optical properties and potential for better performance compared to traditional p-spacer units.
研究不足
The study is computational and lacks experimental validation. The practical synthesis and application of these dyes in DSSCs may present challenges.
1:Experimental Design and Method Selection:
Density functional theory (DFT) calculations were performed with CAM-B3LYP functional to study the optical parameters for DSSCs.
2:Sample Selection and Data Sources:
Norbornylogous bridged spacers and a modelled simple donor unit like N,N-dimethylamine and cyanoacrylic acid as the anchoring group were used.
3:List of Experimental Equipment and Materials:
Gaussian 09 software for DFT calculations.
4:Experimental Procedures and Operational Workflow:
Geometry optimizations were performed for dyes with TiO2 using CAM-B3LYP DFT functional. TD-DFT calculations were performed for simulating the absorption spectra.
5:Data Analysis Methods:
The free energy change for the electron injection and rejection, open-circuit voltage, and dipole moment were calculated.
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