First-Principles Study of Fe₂O₃-Doped Graphene: Structural, Electronic, Magnetic and Optical Insights
This study presents a comprehensive theoretical investigation into how iron (III) oxide (Fe₂O₃) doping alters the structural, electronic, optical, magnetic and thermodynamic properties of graphene. A finite-size C52 graphene cluster was used to simulate localised doping effects using Density Functional Theory (DFT) and...