在本論文中分為兩個部分進行探討，皆為改良black dye (N749) 結構之三牙配位釕金屬錯合物。
第一部分為一系列全光域吸收的釕金屬錯合物，以thiophene官能團修飾isoquinoline pyrazolate作為雙牙配位基、thiocyanate單牙配位基、三牙配位的terpyridine作為錨基，並將2-dodecylthienyl取代基修飾在isoquinoline的不同位置上，此系列染料在光譜的400~800 nm的分子吸收係數明顯高於比對染料black dye，使其在可見光及紅外光的部分擁有更佳的光捕獲性質，提升了元件效率表現。
第二部分為具高穩定性、無thiocyanate配位基的雙三牙釕金屬錯合物，利用三牙結構的配位基不但可以避免像thiocyanate具異構物，使合成產率提升，且在元件上擁有較好的長效性。並以烷基官能團取代過去常用之高共軛官能團，降低合成複雜度與原料、人事成本，提升商業化可行性，並做不同烷基官能團的修飾對元件表現的影響，最後對此系列染料做長效測試及成本分析。

This work separated into two parts, both of them improved from the structure of black dye (N749).
In part I, here reports a new series of panchromatic Ru(II) terpyridine sensitizers which possess thienyl functionalized isoquinoline pyrazolate chelates, along with tridentate terpyridine anchor and monodentate thiocyanate ligand. The 2-dodecylthienyl substituent was modified at various sites of isoquinoline moiety. These new sensitizers exhibit significantly higher molar extinction coefficients at 400-800 nm versus N749 reference complex, leading better light-harvesting capability across visible and near infrared region (NIR), giving a superior performance to DSC cells.
In part II, A series of bis-tridentate and thiocyanate-free Ru(II) sensitizers with high stability were designed. Tridentate ligands were substituted for three thiocyanate ligands, which not only avoided thiocyanate linkage isomerism to increase the yield but also enhanced the lifespan of as-fabricated solar cell device. Different from previous extended-conjugation structure, here attached small alkyl groups to azolate chelates to reduce synthesis process and cost, leading to more opportunities for commercial application. Moreover, different alky-substituted tridentate chelates showed different device performance. At last, the stability test and synthesis cost analysis has been done.

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