Structural and electronic properties of hydrogen-functionalized armchair germanene nanoribbons: A first-principles study

"Structural and electronic properties of hydrogen-functionalized armchair germanene nanoribbons: A first-principles study" present the critical physical quantities to analyze the structural and electronic properties are fully developed through the first-principles calculations, including the functionalization energy, optimal structural parameters, orbital- and atom-decomposed electronic band structures and density of states, charge density, and charge density difference.