本論文可分為有機光伏打電池 (OPVs) 、電洞傳輸層 (HTL) 之材料開發。 本研究以 CDT 為單元，開發出新核心：CDT 外掛 DPP 單元的 DPP-CDT，之後將此新核心分別接上末端基拉電子基團茚酮 (IN) 與二氯茚酮 (INCl)，製備出兩個新的可溶性有機光伏打太陽能電池材料：DINDPPCDT-b16 (1) 與 DINClDPP-CDT-b16 (2)。預期帶有多併環噻吩及吡咯併吡咯二酮之核心有助於電荷轉移進而增加載子移動率，於多環的核心架構中引入碳鏈以確保分子之溶解度，並避免材料製備成膜時分子之堆疊嚴重。 藉由 UV-vis 探討所開發出來的分子之吸收波段，相較於末端基 團只接茚酮 (IN) 的分子，帶有氯之分子有明顯的紅位移現象。 利用 DPV 探討所開發出新分子的 HOMO 與 LUMO 能階差異， 相較於末端基團只接茚酮 (IN) 的分子，在引入較強拉電子之氯之後，HOMO 與 LUMO 能階都有明顯的下降，預期組裝成元件後會有更寬的吸光範圍和更強的吸收。以此新材料之 OPVs 元件性質仍在測試中。 電洞傳輸層的部分，開發出以 CDT 單元和 SBT 單元為核心之小分子材料，DTPA-CDT-8 (3)，DTPA-SBT-6 (4) ，其化合物DTPA-CDT-8 (3) 目前應用於鈣鈦礦太陽能電池中，所組裝之元件能有效提升光電轉換效率，為 19.47% 。 ;A series of new organic optoelectronic materials were synthesized and characterized for organic photovoltaic cells (OPVs) and hole transporting layer (HTL) applications. Using CDT as central core, a new conjugated unit DPP-CDT was first prepared and was end-capped with electron withdrawing groups, such as dicyanomethylene indanone (IN) and dichlorodicyanomethylene indanone (INCl), via knoevenagel condensation, to give two new materials DINDPP-CDT-b16 (1) and DINClDPPCDT-b16 (2). The optical properties of these new compounds were characterized by UV-vis and the frontier orbitals energy levels (HOMO and LUMO) were evaluated by Differential Pulse Voltammetry. With the introduction of more electronegative atoms such as chlorine, the Uv-Vis absorption of DINClDPP-CDT-b16 is more red-shifted and exhibit stronger intramolecular charge transfer effect than the DINDPP-CDT-b16 analog. In comparison with dicyanomethylene indanone (IN), INCl-derivative exhibit lower HOMO and LUMO. Two new hole transporting layer materials, DTPA-CDT-8 (3) and DTPA-SBT-6 (4), were synthesized, which were used as hole transporting layers in perovskite solar cells. Currently, DTPA-CDT-8 (3) exhibited 19.47% power conversion efficiency.
