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Graphene is the first truly two-dimensional (2D) material, possessing acone-like energy spectrum near the Fermi energy and treated as a gaplesssemiconductor. Its unique properties trigger researchers to find moreapplications of it, such as high carrier mobility at room temperature, superiorthermoconductivity, high modulus and tensile strength, high transparency, andanomalous quantum Hall effect. However, the gapless feature limits thedevelopment of graphene nanoelectronics. Making one-dimensional (1D) strips ofgraphene (i.e., graphene nanoribbons (GNRs)) could be one of the most promisingapproaches to modulating the electronic and optical properties of graphene. Theelectronic and optical properties have been theoretically predicted andexperimentally verified highly sensitive to the edge and width. The tunableelectronic and optical properties further imply the possibilities of GNRapplication. Recently, the dangling bond problem is under consideration in theGNR system. Various passivation at the ribbon edge might change the physicalproperties. In this work, some passivation conditions are studied, such asalkalization and hydrogenation.

1D finite-width graphene nanoribbon systems: alkalization and hydrogenation