A. A. I. Khalil

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...