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首页> 外文期刊>Journal of Computational Electronics >Synthesis, computational study and characterization of a 3-{[2,3-diphenylquinoxalin-6-yl]diazenyl}-4-hydroxy-2H-chromen-2- one azo dye for dye-sensitized solar cell applications
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Synthesis, computational study and characterization of a 3-{[2,3-diphenylquinoxalin-6-yl]diazenyl}-4-hydroxy-2H-chromen-2- one azo dye for dye-sensitized solar cell applications

机译：用于染料敏化太阳能电池的3-{[2,3-二苯基喹喔啉-6-基]二氮烯基} -4-羟基-2H-chromen-2-一种偶氮染料的合成，计算研究和表征

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摘要

A solution-processable 3-{[2,3-diphenylquinoxalin-6-yl]diazenyl}-4-hydroxy-2H-chromen-2-one azo dye was synthesized. Analysis of measured UV-visible absorption spectrum and frontier orbitals computed using simplified time dependent density functional theory (sTDDFT) revealed its suitability for optoelectronic applications. A dye-sensitized solar cell (DSSC) was fabricated using this metal-free organic dye as a sensitizer. The photovoltaic parameters of the cell were studied under simulated AM 1.5 illumination (100 mWcm(-2)). Comparing the photovoltaic data with a DSSC using a different member of the azo family of dyes, open circuit voltage and fill factor of the device studied in this work were found higher by 33 and 104%, respectively. The performance was also compared with the DSSCs fabricated using 49 commercial mordant dyes and open circuit photovoltage of the device studied in this work was found higher. To gain insight into its charge transport, impedance spectroscopy was performed. Impedance spectra were observed both voltage and frequency dependent.
机译：合成了可溶液处理的3-{[2,3-二苯基喹喔啉-6-基]二氮杂基} -4-羟基-2H-铬-2-酮偶氮染料。对使用简化的时变密度泛函理论（sTDDFT）计算的测得的UV-可见吸收光谱和边界轨道的分析表明，其适用于光电应用。使用该无金属的有机染料作为敏化剂制造了染料敏化太阳能电池（DSSC）。在模拟AM 1.5照明（100 mWcm（-2））下研究了电池的光伏参数。使用偶氮染料家族的另一成员将光伏数据与DSSC进行比较，发现这项工作中研究的器件的开路电压和填充系数分别提高了33％和104％。该性能也与使用49种市售媒染剂染料制成的DSSC进行了比较，发现这项工作中研究的器件的开路光电压更高。为了深入了解其电荷传输，进行了阻抗光谱分析。观察到阻抗谱与电压和频率有关。

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