Electron-Acceptor-Dependent Light Absorption and Charge-Transfer Dynamics in N-Annulated Perylene Dye-Sensitized Solar Cells
Electron-Acceptor-Dependent Light Absorption and Charge-Transfer Dynamics in N-Annulated Perylene Dye-Sensitized Solar Cells
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DOI：
10.1021/jp511687e
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发表时间：
2015-01
影响因子：
3.7
通讯作者：
Lin Yang;Yameng Ren;Zhaoyang Yao;Cancan Yan;Wentao Ma;Peng Wang
中科院分区：
文献类型：
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作者：
Lin Yang;Yameng Ren;Zhaoyang Yao;Cancan Yan;Wentao Ma;Peng Wang
在这篇文章中，我们报道了两个无金属的染料（C269和C270）的电子受体苯并噻二唑-苯甲酸和乙炔基苯并噻二唑-苯甲酸，分别与双（4-（己基）苯基）氨基封端的N-环状的（NP）电子给体的组合。密度泛函理论（DFT）和含时密度泛函理论（TDDFT）计算结果表明，乙炔基苯并噻二唑苯甲酸的引入降低了NP染料的最低未占分子轨道（LUMO）能级，减小了能隙，减弱了其Stokes位移.这些效应与电化学和电化学物理测量结果雅阁。当用于敏化二氧化钛太阳能电池时，C270染料在100 mW cm-2模拟AM 1.5太阳光的辐照度下表现出相当好的功率转换效率，接近9%。与C269相比，C270染料在二氧化钛表面形成的自组装染料层更薄、更疏松，从而导致二氧化钛表面的电子寿命更短、光吸收更低。
In this article, we report two metal-free perylene dyes (C269 and C270) featuring the electron acceptors benzothiadiazole–benzoic acid and ethynylbenzothiadiazole–benzoic acid, respectively, in combination with a bis(4-(hexyl)phenyl)amino-capped N-annulated perylene (NP) electron donor. Density functional theory (DFT) and time-dependent DFT (TDDFT) calculations revealed that the use of ethynylbenzothiadiazole–benzoic acid can lower the level of the lowest unoccupied molecular orbital (LUMO), reduce the energy gap, and attenuate the Stokes shift of an NP dye. These effects are in good accord with electrochemical and photophysical measurements. When used in sensitized titania solar cells, C270 dye exhibits a reasonably good power conversion efficiency close to 9% at an irradiance of 100 mW cm–2 simulated AM1.5 sunlight. It was also found that, with respect to C269, C270 dye forms a thinner and looser self-assembled dye layer on the surface of titania, accounting for the shorter electron lifetime and lower o...