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Akademisyenler > Yunus KARATAŞ > Yayın Detayı

Enhanced photocatalytic degradation of diazo reactive blue 198 using ternary PANI-TiO2-CuO composites: Predicted degradation pathway, mechanism, and DFT calculations    
Yazarlar (4)
Doç. Dr. Ümit Nazlı TÜRKTEN Doç. Dr. Ümit Nazlı TÜRKTEN
Kırşehir Ahi Evran Üniversitesi, Türkiye
Prof. Dr. Yunus KARATAŞ Prof. Dr. Yunus KARATAŞ
Kırşehir Ahi Evran Üniversitesi, Türkiye
Simal Kurumoglu
Tekirdağ Namık Kemal Üniversitesi, Türkiye
Yelda Yalcin Gurkan
Tekirdağ Namık Kemal Üniversitesi, Türkiye
Devamını Göster
Özet
This study investigated the preparation and detailed characterization of PANI (polyaniline)-TiO2-CuO composites through in-situ chemical oxidation polymerization (PTCI) and mechano-chemical synthesis (PTCS) methods for comparison. The morphological characteristics of ternary composites depend on the ratios of PANI to binary TiO2-CuO composite and the process of preparation. The photocatalytic degradation of diazo Reactive Blue 198 (RB-198) in the presence of the PTCS-81 composite (PANI: TiO2-CuO composite with a mole ratio of 8:1, prepared using PTCS method) reached 90.4 % within 60 min. Recyclability tests revealed that the composites are stable, underscoring their potential as effective photocatalysts. The proposed degradation pathways of diazo RB-198 dye were discussed both experimentally and theoretically for the first time. The reactivity descriptors confirmed that the nitrogen atoms were favorably sensitive sites for radical attacks. Finally, the silico toxicity of potential photodegraded products of RB-198 was assessed via the computational toxicology method ProTox-3.0.
Anahtar Kelimeler
Conceptual density functional theory | PANI-TiO2-CuO composites | Photocatalysis | Reactive blue 198 | Recyclability tests | Silico toxicity
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale
Dergi Adı Physica B Condensed Matter
Dergi ISSN 0921-4526 Wos Dergi Scopus Dergi
Dergi Grubu Q2
Makale Dili İngilizce
Basım Tarihi 11-2025
Cilt No 717
Sayı 1
Doi Numarası 10.1016/j.physb.2025.417802
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
Enhanced photocatalytic degradation of diazo reactive blue 198 using ternary PANI-TiO2-CuO composites: Predicted degradation pathway, mechanism, and DFT calculations

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