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在DSSC中AZO-甲敏感剂的光伏性能:DFT与实验相关性

Ayşe Inan Duyar¹, Ayça Tanrıverdi², Gülfeza Kardaş³

¹Department of Chemistry, Faculty of Science and Arts, Kahramanmaraş Sütçü İmam University, Kahramanmaraş, 46050-9, Turkey.

Journal of fluorescence

|August 26, 2025

概括

这项研究探讨了用于高效染料敏感太阳能电池 (DSSC) 的新色剂. 带有电子提取组的联体6实现了最高的光伏性能,证明了低成本太阳能转换的潜力.

科学领域:

材料科学
太阳能发电
有机化学

背景情况:

染料为太阳能电池应用提供可调节的电子特性.
对于染料敏感太阳能电池 (DSSC) 来说,开发高效且具有成本效益的敏感剂至关重要.

研究的目的:

为了合成和描述DSSC的新型色剂.
研究这些染料的光伏性能和量子化学特性.
为了将分子结构与太阳能电池效率联系起来.

主要方法:

合成了五个甲配体.
使用合成色剂制造染料敏感的太阳能电池.
使用NMR,FTIR,UV可见光谱,FE-SEM和EDX进行表征.
通过电流-电压 (I-V) 测量进行光伏性能评估.
使用密度函数理论 (DFT) 的量子化学计算.

主要成果:

通过光谱分析证实了连接物结构.
描述了TiO2薄膜,显示了适合DSSC的特性.
最高的0.42%的太阳能电池效率是用Ligand 6 (含有4-fluoroaniline组) 实现的.
最低的效率为0. 32%,使用的是Ligand 5.
DFT计算提供了对HOMO/LUMO能量和双极时刻的见解.

结论:

合成的色剂是DSSCs的可行的敏感剂.
电子吸收组对光伏性能产生积极影响.
这项研究为设计用于太阳能应用的改进的染剂提供了基础.

关键词:

DFT计算方法染料敏感的太阳能电池光伏性能希夫基; 亚

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