Author

M. A. Ibrahim

2 papers indexed here

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Open access Oct 2026

Role of cellulose like materials in heavy metals coordination

This study investigates the coordination mechanism and electronic properties of cellulose and cellulose-like materials, such as dried banana peel, in the removal of heavy metals (Cadmium and Copper) from aqueous solutions. Using density functional theory (DFT) at the B3LYP/LANL2DZ level, model molecules of hydrated Cd...

Shimaa M. Abdel-Moniem, A. Ibrahim, H. Elhaes et al. · Scientific Reports · 0 citations

Open access Aug 2026

Electronic and structural properties of ZnO, Fe₂O₃, and Al₂O₃ clusters interacted with graphene oxide: a combined DFT and experimental study

The work uses Density Functional Theory (DFT) with the B3LYP/LANL2DZ method to study the electronic and structural characteristics of Graphene Oxide (GrO) combined with ZnO, Fe₂O₃, and Al₂O₃. The research examines how GrO anchoring sites, including hydroxyl (-OH), epoxy (-O), and carboxyl (-COOH) groups, affect the per...

A. A. I. Khalil, M. H. Sayed, A. Ibrahim et al. · Scientific Reports · 0 citations