本論文主要分為有機光伏打電池 (OPV) 與和鈣鈦礦太陽能電池 (PSC) 材料之開發。 本研究主要以具不同苯基烷氧鏈之環戊烷二噻吩 (CDTP) 為核心,開發出可進行溶液製程之醌型 CDTPQ-b8 (1)、CDTPQ-b16 (2) 與 DCV -CDTP-b8 (3)、DCV -CDTP-b16 (4) 材料,探討核心碳鏈長度對元件表現的影響。所開發的四種材料可應用於 N 型的 OPV 元件上,也能作為 PSC 添加劑,鈍化鈣鈦礦層缺陷以提升元件效率。 另外,本研究亦同時製備兩種新型高分子材料作為錫鈣鈦礦太陽能電池中的電洞傳輸層 (HTL),合成出 PPr- SBT-14 (5) 與 PPr- BT-14 (6),目前兩材料已完成初步元件測試,其中 PPr- SBT-14 (5)之光電轉換效率 (PCE) 可達 6.1%,PPr- BT-14 (6) 之元件效能為5.7%。 而上述之新材料的電化學及光學性能 ( HOMO / LUMO 與 Eg ) 已藉由DPV及UV-Vis測定,材料之熱穩定性已透過TGA與DSC檢測,這些新開發的有機分子材料正在進行其相關元件之優化。 ;A series of new small molecules were synthesized and characterized for the applications in photovoltaic cells (OPVs) and perovskite solar cells (PSCs). In this study, cyclopentadithiophene with different phenylalkoxy chains (CDTP) was used as the core to develope two quinoidal CDTPQ b8 (1), CDTPQ-b16 (2) and two dicyanovinyl (DCV) end-capped DCV-CDTP-b8 (3), DCV-CDTP-b16 (4). The effect of different alkyl chain lengths on the core was explored and correlated to the performance of the devices. In addition to the application in OPV, these newly developed non-fullerene acceptors could also be used as passivating agents in PSCs based on our recent studies. Further, two new polymeric hole transporting layers (HTL) materials, PPr-SBT-14 (5) and PPr-BT-14 (6), were developed for tin-based PSCs. At present, preliminarily PSC device test results of these two polymers exhibited pretty good power conversion efficiency (PCE) of 6.1% and 5.7% for PPr-SBT-14 (5) and PPr-BT-14 (6), respectively. The optical and electrochemical properties of these newly developed compounds were characterized by UV-vis spectroscopy and DPV. Chemical structures were characterized by 1 H NMR, 13 C NMR and mass spectrometry. Thermal properties were investigated by DSC and TGA. At present, optoelectronic devices based on these new non-fullerene acceptors and organic polymers are under optimization.