A Joint Theoretical and Experimental Study on a Tetrazole-Anchored BODIPY-Based Dye at the Surface of TiO2 for Dye-Sensitized Solar Cell Applications

Akdogan N., Ortatepe B., Atli A., DİŞLİ A., ERDOĞDU Y., YILDIZ A.

Physica Status Solidi (A) Applications and Materials Science, cilt.221, sa.3, 2024 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 221 Sayı: 3
  • Basım Tarihi: 2024
  • Doi Numarası: 10.1002/pssa.202300513
  • Dergi Adı: Physica Status Solidi (A) Applications and Materials Science
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, Compendex, INSPEC
  • Anahtar Kelimeler: BODIPY, density functional theory, dye-sensitized solar cells, synthesis, tetrazole
  • Gazi Üniversitesi Adresli: Evet

Özet

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 EHOMO, ELUMO, λmax, Eex, light-harvesting efficiency, reorganization energy, and the free injection energy (ΔGinj), 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).