Author

H. Elhaes

3 papers indexed here

We haven’t gathered this author’s papers yet. Follow them and we’ll fetch their work.

Not the right person? Other researchers publish under this name.

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 Sep 2026

Molecular modeling characterization of cellulose and chitosan metal oxide hybrid interfaces

The interfacial electronic structure of biopolymer–metal oxide hybrids determine their stability, yet this structure is still not well understood. Here, we report a density functional theory study of 10 model systems consisting of cellulose and chitosan functionalized with ZnO and V2O5 separately and in ternary combina...

T. M. Tiama, Islam G. Ali, Ahmed E. Samer 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