ArticleHeliyon2023
Facile engineering of mesoporous silica for the effective removal of anionic dyes from wastewater: Insights from DFT and experimental studies.
Article in Heliyon, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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Who cites it
2 citing papers in PubMed.
- Explainable Artificial Intelligence Assisted Modeling of Malachite Green Adsorption onto SBA-15-Zn-Fe Composite.Molecules (Basel, Switzerland) · 2026Article
- Sugar-capped magnetite nanoparticles for selective and efficient removal of Alizarin Red S dye from aqueous solutions: an experimental and theoretical study.RSC advances · 2026Article
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Authors and funding
6 authors.
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Abstract
The discharge of dye effluents from the textile industries has become a major environmental issue due to its potential to impart serious harm to human health and aquatic life. Mesoporous silica due to its high chemical stability, large surface area, tunable morphologies, large pore volume and pore size and cost-effectiveness is commonly used to remove such dyes before recycling of the wastewater for agricultural, domestic, and industrial applications. However, the low colloidal stability, the fast aggregation of the silica particles and the slow etching of the silica surface often results in the fast deactivation of the adsorbents and limits their long-term applications. In this study, we report the functionalization of mesoporous silica (SBA-15) with ZnO nanoparticles for the effective removal of anionic dyes. The Zn-silica exhibited highly positive surface with a dipole moment of 172 Debye and high charge transfer efficacy with an energy bandgap (ΔE) of 3.35 eV as revealed by quantum chemical DFT simulations. It achieved excellent removal of Alizarin red dye reaching a removal efficiency of 99.99 % and an adsorption capacity of 50 mg/g. In the presence of heavy metal ions commonly present in wastewater (Cd
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