本研究主要分成有機光伏打電池電池 (OPV) 和電洞傳輸層 (HTL) 兩個部份的材料開發。在有機光伏打電池材料中,以 CDT 衍生物為核心,藉由knoevenagel 縮合反應在核心末端兩側接上拉電子基團 IN,得到新的 OPV 小分子 INCDT。在電洞傳輸層材料中,合成出三種以吡嗪為核心的小分子材料,在核心外側接上推電子基團三苯胺 (TPA),藉由 Stille 偶合反應得到三種新的電洞傳輸層小分子材料 DNB-2TPA、bDNB-4TPA 和 DNP-2TPA。利用 UV-Vis 和 DPV 來探討其光電和電化學的性質,並得到其 HOMO-LUMO 的能階差。藉由 DSC 和 熱重分析儀 (TGA) 來探討其熱穩定性性質。;A series of new organic optoelectronic materials were synthesized and characterized for organic photovoltaic (OPV) and hole transporting (HTL) small molecule application. For organic photovoltaic, one new core of CDT-based was developed. New CDT core was end-capped with electron-withdrawing groups, indane-1,3-dione(IN), via knovenagel condensation was done to afford new small molecule OPV INCDT. For hole transporting layer, three new small molecules based on pyrazine was synthesized. All of new hole transporting material was conjugated with an electron-donating group, triphenylamine (TPA), via Stille coupling to get DNB-2TPA, bDNB-4TPA, and DNP-2TPA. The optical and electrochemical (HOMO-LUMO) of these new materials were analyzed by UV-Vis and DPV. Thermal properties were characterized by DSC and TGA.