Heteroatom-mediated performance of dye-sensitized solar cells based on T-shaped molecules
Heteroatom-mediated performance of dye-sensitized solar cells based on T-shaped molecules
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DOI：
10.1016/j.dyepig.2019.02.055
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发表时间：
2019-07-01
影响因子：
4.5
通讯作者：
Pascu, Razvan
中科院分区：
文献类型：
--
作者：
Damaceanu, Mariana-Dana;Constantin, Catalin-Paul;Pascu, Razvan
设计、合成了两种新型“姐妹”有机染料，它们具有T型分子结构，以吩噻嗪/吩恶嗪和三苯胺为电子给体核，氰基丙烯酸为受体和锚定基团。这两种染料的官能化在吩恶嗪/吩噻嗪与三苯胺单元含有两个己氧基取代基的氮原子，以获得T-形的配置。与时间相关的密度泛函理论计算和光伏功能的光电和电化学数据证实了讨论与每个染料的结构架构。它们在染料敏化太阳能电池（DSSC）中的性能进行了比较调查，特别关注的杂原子变化对最重要的DSSC特性的影响。尽管其更有利的光学性能，与吩恶嗪基染料实现的电池是效率较低的那些制造与吩噻嗪的。原因是在吩恶嗪染料的情况下，电解质的更强的电子拦截，其一贯地降低开路电压，这与碘/碘化物氧化还原对的吩噻嗪的更好再生相证实。事实上，据我们所知，这是最早的研究之一，它强调了T形染料结构中的单个杂原子如何影响染料与电解质的相互作用及其再生，从而影响光伏性能，并为开发用于高效DSSC的新型染料带来了新的机会。
Two novel "sister" organic dyes featuring a T-shape molecular pattern based on phenothiazine/phenoxazine and triphenylamine framework as electron donor core and cyanoacrylic acid as acceptor and anchoring group were designed, synthesized and thoroughly characterized. Both dyes were functionalized at the nitrogen atom of phenoxazine/phenothiazine with the triphenylamine unit containing two hexyloxy substituents to obtain a T-shape configuration. The photo-optical and electrochemical data corroborated with time-dependent density functional theory computations and photovoltaic features were discussed in correlation with the structural architecture of each dye. Their performances in dye-sensitized solar cells (DSSCs) were comparatively surveyed with a special concern on the influence of the heteroatom variation on the most important DSSCs characteristics. In spite of its more favorable optical performance, the cells realized with phenoxazine-based dye are less efficient than those fabricated with phenothiazine ones. The cause is the stronger electron interception by the electrolyte in the case of phenoxazine dye which consistently degrades the open-circuit voltage, corroborated with a better regeneration of the phenothiazine by the iodine/iodide redox couple. In fact, to the best of our knowledge, this is one of the first studies which highlights how a single heteroatom in a T-shape dye structure can affect the dye interaction with the electrolyte and its regeneration, consequently the photovoltaic performances and brings out new opportunities for developing novel dyes for efficient DSSCs.