A Joint Theoretical and Experimental Study on a Tetrazole-Anchored BODIPY-Based Dye at the Surface of TiO2 for Dye-Sensitized Solar Cell Applications,Physica Status Solidi (A) - Applications and Materials Science

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A Joint Theoretical and Experimental Study on a Tetrazole-Anchored BODIPY-Based Dye at the Surface of TiO2 for Dye-Sensitized Solar Cell Applications
Physica Status Solidi (A) - Applications and Materials Science Pub Date : 2023-10-12 , DOI: 10.1002/pssa.202300513
Nurdan Akdogan ₁ , Burcu Ortatepe ₂ , Aycan Atli ₃ , Ali Disli ₁ , Yusuf Erdogdu ₄ , Abdullah Yildiz ₃

Affiliation

The performance of the created BODIPY-based dye compound in dye-sensitized solar cells is evaluated. The electrical and charge transport characteristics of the dye are examined using the density functional theory and time-dependent density functional theory. By calculating E_HOMO, E_LUMO, λ_max, E_ex, light-harvesting efficiency, reorganization energy, and the free injection energy (ΔG_inj), attributes of the dye are identified. In comparison to the performance of N719 dye (5.16%), the device performance of synthesized BODIPY dye is reported to have an efficiency of 0.34%. Electrochemical outcomes are consistent with the efficiency outcomes and have a larger charge transport resistance for BODIPY (85.9 Ω) than for N719 (6.1 Ω).

中文翻译：

用于染料敏化太阳能电池应用的 TiO2 表面四唑锚定 BODIPY 基染料的联合理论和实验研究

评估了所创建的基于 BODIPY 的染料化合物在染料敏化太阳能电池中的性能。使用密度泛函理论和时间相关密度泛函理论检查染料的电和电荷传输特性。通过计算E _HOMO、E _LUMO、λ _max、E _ex、光捕获效率、重组能和自由注入能 (Δ G _inj )，可以识别染料的属性。与 N719 染料的性能 (5.16%) 相比，合成的 BODIPY 染料的器件性能据报道效率为 0.34%。电化学结果与效率结果一致，并且 BODIPY (85.9 Ω) 的电荷传输电阻比 N719 (6.1 Ω) 更大。

更新日期：2023-10-12

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