img
img
New Insights into the application of Copper-Based polymer composites as Catalysts: An Indepth experimental and computational study     
Yazarlar (3)
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
Yelda Yalçın Gürkan
Tekirdağ Namık Kemal Üniversitesi, Türkiye
Devamını Göster
Özet
A series of polyaniline-copper oxide (PANI-CuO) composites were synthesized using in-situ chemical oxidation polymerization (PCI) and mechano-chemical preparation (PCS) methods. The influence of the synthesis methods on the morphological, structural, surface, thermal, and optical properties of the composites was systematically investigated. Characterization techniques including Fourier transformer infrared (FTIR), Raman spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), thermal gravimetric (TG), and differential thermal analysis (DTA), and photoluminescence (PL) were employed to confirm the formation of the composites and analyze their structural features. The morphology of the PANI-CuO composites was found to be dependent on the PANI/CuO ratio and the synthesis method. XRD revealed the semi-crystalline nature of PANI and the monoclinic structure of CuO. Photocatalytic performance was evaluated by the degradation of anionic Reactive Orange-122 (RO-122) dye with the PCS-81 composite achieving 91 % degradation of RO-122 in 120 min. Recyclability tests demonstrated high stability of the composites, suggesting their potential as efficient photocatalysts for dye removal from aqueous solutions. FTIR, Raman, and SEM analyses were used to monitor morphological and structural changes during RO-122 photodegradation. Conceptual Density Functional Theory (CDFT) calculations were also performed to identify reactive sites for hydroxyl radical attack, and reactivity descriptors were calculated using the DFT/B3LYP/6-31G(d) method. A photocatalytic degradation mechanism for RO-122 was proposed by integrating computational and experimental data.
Anahtar Kelimeler
Conceptual Density Functional Theory | PANI-CuO composites | Photocatalysis | Reactive Orange 122 | Recyclability tests
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı Inorganic Chemistry Communications
Dergi ISSN 1387-7003
Dergi Tarandığı Indeksler SCI-Expanded
Dergi Grubu Q1
Makale Dili Türkçe
Basım Tarihi 04-2025
Cilt No 174
Sayı 1
Doi Numarası 10.1016/j.inoche.2025.113919
Makale Linki https://doi.org/10.1016/j.inoche.2025.113919