  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 provide multi-orbital
hybridizations with the out-of-plane pi-bondings on the carbon honeycomb
lattice, which dominates the fundamental properties of chemisorption systems.
In this work, using the 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. There exists a transformation from
finite gap semiconducting to metallic behaviors, indicating enhanced electrical
conductivity. They arise from the cooperative or competitive relations among
the significant chemical bonds, finite-size quantum confinement, edge
structure, and stacking order. Moreover, the decoration of edge structures with
hydrogen and oxygen atoms is considered to provide more information about the
stability and magnetization due to the ribbon' effect. These findings will be
helpful for experimental fabrications and measurements for further
investigation of GNRs-based materials.
