By establishing a new push-pull relationship, three novel metal-free organic sensitizers based on A'–π–A framework were synthesized, in which A' and A represent the auxiliary acceptor (triazine) and the main acceptor (cyanoacrylic acid), respectively, coded ZS03, ZS04, and ZS05. In this paper, the molecular structure, photophysical property, electrochemical property, theoretical calculation, and photovoltaic property of these three sensitizers are described in detail. The results show that the additional acceptor and alkyl chains significantly affect the molecule’s energy level and spatial structure. In terms of photovoltaic characteristics, the ZS03-based device exhibits the best power conversion efficiency (PCE) of 7.11%, corresponding to a short-circuit photocurrent density (J_sc) of 14.31 mA cm⁻², an open-circuit voltage (V_oc) of 708 mV, and a fill factor (FF) of 0.723, which is the highest efficiency among the known A'–π–A type dyes. It can be determined that the improvement of PCE is mainly due to the combination of the following two factors: the π-spacer with appropriate length and the alkyl chain with a reasonable layout.

通过建立新的推拉关系，合成了三种基于A'-π-A骨架的新型无金属有机敏化剂，其中A'和A代表辅助受体（三嗪）和主要受体（氰基丙烯酸），分别编码为ZS03、ZS04和ZS05。本文详细介绍了这三种敏化剂的分子结构、光物理性能、电化学性能、理论计算和光伏性能。结果表明，额外的受体和烷基链显着影响分子的能级和空间结构。在光伏特性方面，ZS03基于器件的最佳功率转换效率 (PCE) 为 7.11%，对应于14.31 mA cm ^-2的短路光电流密度 ( J _sc )、708 mV的开路电压 ( V _oc ) 和填充因子 ( FF ) 为 0.723，这是已知 A'-π-A 型染料中效率最高的。可以确定，PCE的提高主要得益于以下两个因素的综合作用：适当长度的π-spacer和合理布局的烷基链。