Photosensitizer, a key component of dye-sensitized solar cells (DSCs), significantly affects the power conversion efficiency (PCE) of the devices. In this study, three terpyridyl (tpy) ruthenium complex dyes incorporating hexyl-substituted pyrrole (CYC-36), 4-methylthiazole (CYC-39), and thieno[3,2-b]pyrrole (CYC-41) were designed and their photovoltaic performance was examined. To the best of our knowledge, this study introduced these heterocyclic conjugated rings to functionalize the tpy-coordinated ruthenium complexes and discovered that 4-methylthiazole in the anchoring ligand of CYC-39 simultaneously enhanced the lighting-harvesting capability of the dye molecule, increased dye-loading in TiO₂ photoanode, and reduced the charge recombination in the cells. The multifunction of 4-methylthiazole moiety is ascribed to not only the aromaticity and electron-withdrawing nature but also the formation of a moderate dihedral angle between the thiazole ring and the tpy core. Consequently, the DSC device sensitized with CYC-39 yields not only a panchromatic response up to 900 nm but also a good PCE of 9.0%.

中文翻译：

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用于全色染料敏化太阳能电池的共轭杂环官能化的三联吡啶配合物

光敏剂是染料敏化太阳能电池 (DSC) 的关键组成部分，显着影响器件的功率转换效率 (PCE)。在本研究中，设计了三种三联吡啶 (tpy) 钌络合物染料，包括己基取代的吡咯 ( CYC-36 )、4-甲基噻唑 ( CYC-39 ) 和噻吩并 [3,2- b ] 吡咯 ( CYC-41 ) 并检查了它们的光伏性能。据我们所知，本研究引入这些杂环共轭环来官能化 tpy 配位的钌配合物，并发现CYC-39锚定配体中的 4-甲基噻唑同时增强了染料分子的捕光能力，增加了染料- 负载在二氧化钛_{2 光}阳极，并减少电池中的电荷复合。4-甲基噻唑部分的多功能性不仅归因于其芳香性和吸电子性，而且还归因于噻唑环和tpy核之间形成适度的二面角。因此，用CYC-39敏化的 DSC 设备不仅产生高达 900 nm 的全色响应，而且产生 9.0% 的良好 PCE。