DECORATION OF GRAPHENE NANORIBBONS WITH 5F RARE-EARTH ELEMENTS

This study explores the decoration of graphene nanoribbons with 5f rareearth elements and investigates their impact on the electronic, magnetic, and optical properties. Using first-principles calculations, we demonstrate that the incorporation of 5f elements induces significant changes in the nanoribbons’ electronic structure, leading to localized electronic states within the bandgap. The presence of 5f electrons also introduces magnetic moments, while the hybridization between carbon atoms and 5f orbitals gives rise to unique electronic and magnetic phenomena. Additionally, we examine the optical properties, including absorption and emission spectra, providing insights into potential optoelectronic applications. This research advances our understanding of the design and development of graphene nanoribbon-based materials with tailored electronic, magnetic, and optical functionalities.