Double Linker Triphenylamine Dyes for Dye-Sensitized Solar Cells
Double Linker Triphenylamine Dyes for Dye-Sensitized Solar Cells
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DOI：
10.3390/en13184637
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发表时间：
2020-09
期刊：
影响因子：
3.2
通讯作者：
P. Holliman;M. Mohsen;A. Connell;Christopher P. Kershaw;D. Meza-Rojas;Eurig W Jones;Dawn Geatches
中科院分区：
文献类型：
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作者：
P. Holliman;M. Mohsen;A. Connell;Christopher P. Kershaw;D. Meza-Rojas;Eurig W Jones;Dawn Geatches
用于染料敏化太阳能电池（DSC）合成的大多数有机染料使用单个连接基团来结合到金属氧化物光阳极。本文描述了两种新的三苯胺染料的合成和测试，它们含有两个羧酸5-[2-（4-二苯氨基-苯基）-乙烯基]-丙烯酸（10）或两个氰基丙烯酸（2 Z，2′Z）-3，3 ′-（5-（（E）-4-（二苯氨基）苯乙烯基）-1，3-亚苯基）双（2-氰基丙烯酸）（8）作为连接基团。报告了这些染料及其合成中间体的完整表征数据。已经通过被动或快速染色由这些新染料制备DSC装置，并且还在共敏化DSC装置中测试了染料，导致与D149共敏化的双氰基丙烯酸酯连接体染料（8）的PCE（η = 5.4%）。染料：二氧化钛表面相互作用和染料激发解释使用三种建模方法：密度泛函理论（在0 K）;分子动力学（在298 K）;时间依赖的密度泛函理论。模拟结果表明，两种染料在TiO 2（1 0 1）表面上的择优取向均为水平，染料分子的模拟和实验吸收光谱均表明（8）的吸收带较（10）红移.与（10）相比，这与（8）的更宽的光捕获和Jsc一致。
Most organic dyes synthesized for dye-sensitized solar cells (DSC) use a single linker group to bind to the metal oxide photo-anode. Here we describe the synthesis and testing of two new triphenylamine dyes containing either two carboxylic acids 5-[2-(4-diphenylamino-phenyl)-vinyl]-isophthalic acid (10) or two cyanoacrylic acids (2Z, 2′Z)-3, 3′-(5-((E)-4-(diphenylamino) styryl)-1, 3-phenylene) bis (2-cyanoacrylic acid) (8) as linker groups. Full characterization data are reported for these dyes and their synthetic intermediates. DSC devices have been prepared from these new dyes either by passive or fast dyeing and the dyes have also been tested in co-sensitized DSC devices leading to a PCE (η = 5.4%) for the double cyanoacrylate linker dye (8) co-sensitized with D149. The dye:TiO2 surface interactions and dye excitations are interpreted using three modelling methods: density functional theory (at 0 K); molecular dynamics (at 298 K); time dependent density functional theory. The modelling results show the preferred orientation of both dyes on an anatase (1 0 1) TiO2 surface to be horizontal, and both the simulated and experimental absorption spectra of the dye molecules indicate a red shifted band for (8) compared to (10). This is in line with broader light harvesting and Jsc for (8) compared to (10).