Synergistic chitosan–geopolymer/TiO₂ composite: A high-performance adsorbent for U(VI): Experimental and DFT modelling studies
Surfaces and Interfaces, cilt.97, 2026 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 97
- Basım Tarihi: 2026
- Doi Numarası: 10.1016/j.surfin.2026.110041
- Dergi Adı: Surfaces and Interfaces
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, INSPEC
- Anahtar Kelimeler: Adsorption, Chitosan, DFT, Geopolymer, Uranium
- Sivas Cumhuriyet Üniversitesi Adresli: Evet
Özet
A novel chitosan–geopolymer–TiO₂ (Chts@Gp-TiO2) composite adsorbent was synthesized and investigated for uranium removal from aqueous solutions. To comprehensively characterize the composite structure and properties, FTIR, XRD, SEM, TGA, and BET analyses were performed, confirming the successful integration of the components, presence of functional groups, porous surface morphology, and thermal stability. The material exhibited a maximum adsorption capacity was found to be 0.538 mol.kg–1 from the Langmuir model, confirming its strong affinity for uranium ions. The adsorption kinetics were well fitted to the Elovich model, indicating a heterogeneous surface and chemisorption-driven mechanism. Furthermore, density functional theory (DFT) calculations were performed to elucidate the adsorption mechanism at the molecular level, providing insights into the interactions between uranium ions and active surface sites. The synergistic combination of chitosan, geopolymer, and TiO₂ improved the surface functionality, structural robustness, and adsorption performance. These findings highlight the potential of the Chts@Gp-TiO2 composite as an efficient, sustainable, and low-cost adsorbent for uranium recovery and treatment of radioactive wastewater.