本篇DUY1 ~ DUY6 敏化劑的CF3 基團在間位較鄰位有更有利的beta-LUSO 分布，讓電解質中的碘離子可以更有效將染料還原再生;DUY24-O, DUY24 和DUY24-Se 染料分子具有軟硫性，因此元件的光伏表現具有高的開路電壓；DUY24 ~ DUY29 與含有2-噻吩基吡啶環釕化配位基的NC103 做比較，元件的光電轉換效率最大可以提高達65%.;This work described the synthesis and dye-sensitized solar cell (DSC) applications of fourteen thiocyanate-free complexes (DUY1 ~ DUY6, DUY24-O, DUY24-Se, DUY24 ~ DUY29) containing six- or five-membered rings as cyclometalated segments. The study of DUY1 ~ DUY6 showed that the sensitizers containing meta-CF3 group reveal a more favorable distribution of beta-lowest unoccupied spin orbital (beta-LUSO) for the stronger interaction with the reductant (iodide ion) in the electrolyte which promotes the dye regeneration compared to ortho-CF3. The photovoltaic performances of DUY24-O, DUY24, and DUY24-Se sensitized cells showed that a higher VOC was obtained when a softer chalcogen is present in the dye molecule. DUY24 ~ DUY29-based cells showed up-to-65% higher efficiencies than the cell based on reported sensitizers containing 2-thienylpyridine cycloruthenated ligands (NC103 dye).
