Fundamental properties of alkali-intercalated bilayer graphene nanoribbons.

Along with the inherent remarkable properties of graphene, adatom-intercalated graphene-related systems are expected to exhibit tunable electronic properties. The metal-based atoms could facilitate multi-orbital hybridizations with the out-of-plane π-bondings on the carbon honeycomb lattice, which dominate the fundamental properties of chemisorption systems. In this work, using first-principles calculations, the feature-rich properties of alkali-metal intercalated graphene nanoribbons (GNRs) are investigated, including edge passivation, stacking configurations, intercalation sites, stability, charge density distribution, magnetic configuration, and electronic properties.