Yurdakul E. B., Adak E., Ozel K., Atilgan A., Akdogan N., Erdogdu Y., ...Daha Fazla
Engineering Research Express, cilt.8, sa.13, ss.1-39, 2026 (ESCI)
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Yayın Türü:
Makale / Tam Makale
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Cilt numarası:
8
Sayı:
13
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Basım Tarihi:
2026
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Doi Numarası:
10.1088/2631-8695/ae7d8c
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Dergi Adı:
Engineering Research Express
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Derginin Tarandığı İndeksler:
Emerging Sources Citation Index (ESCI)
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Sayfa Sayıları:
ss.1-39
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Gazi Üniversitesi Adresli:
Evet
Özet
Abstract
Herein, we report the design and comprehensive investigation of a series of tetrazole-anchored azo dyes (O1Y-O4Y) to elucidate the role of donor substituents in governing interfacial chargetransfer processes in DSSCs. Combined experimental characterization and DFT/TD-DFT analyses reveal that tetrazole anchoring significantly strengthens electronic coupling with TiO₂, enabling highly favorable electron injection (ΔG inject = -1.34 to -1.39 eV) while effectively suppressing recombination. Among the series, the thioether-substituted O1Y dye delivers superior performance (JSC = 4.59 mA cm -2 , PCE = 1.75%), whereas halogen-substituted analogues exhibit diminished efficiency due to unfavorable energetic alignment and increased reorganization losses. Notably, O1Y achieves a 316% enhancement in efficiency relative to its nitrile-anchored counterpart. These findings establish anchoring-group engineering as a decisive strategy for modulating interfacial energetics and advancing the performance of DSSCs beyond conventional molecular design approaches.