Enhanced photocatalytic degradation of diazo reactive blue 198 using ternary PANI-TiO2-CuO composites: Predicted degradation pathway, mechanism, and DFT calculations

TÜRKTEN, ÜMİT NAZLI; KARATAŞ, YUNUS; Kürümoğlu, Şimal; Gürkan, Yelda Yalçın

doi:10.1016/j.physb.2025.417802

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 Kırşehir Ahi Evran Üniversitesi, Türkiye

Prof. Dr. Yunus KARATAŞ Kırşehir Ahi Evran Üniversitesi, Türkiye

Şimal Kürümoğlu
Tekirdağ Namık Kemal Üniversitesi, Türkiye

Yelda Yalçın Gürkan
Tekirdağ Namık Kemal Üniversitesi, Türkiye

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 Tarandığı Indeksler	SCI-Expanded
Dergi Grubu	Q2
Makale Dili	Türkçe
Basım Tarihi	12-2025
Cilt No	717
Sayı	1
DOI Numarası	10.1016/j.physb.2025.417802
Makale Linki	https://doi.org/10.1016/j.physb.2025.417802

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

Science Direct

BM Sürdürülebilir Kalkınma Amaçları

Atıf Sayıları
WoS	1
SCOPUS	1
Google Scholar	1
ResearchGate	2

Enhanced photocatalytic degradation of diazo reactive blue 198 using ternary PANI-TiO2-CuO composites: Predicted degradation pathway, mechanism, and DFT calculations

Dergi Adı	PHYSICA B-CONDENSED MATTER
Yayıncı	Elsevier B.V.
Açık Erişim	Hayır
ISSN	0921-4526
E-ISSN	1873-2135
CiteScore	5,0
SJR	0,506
SNIP	0,862

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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