Adsorption of Na atom on mono-layer gallenene

Gallenene (Ga100), a Ga-based 2D material, is a new member of nanomaterial family. Based on the density functional theory (DFT), we studied the adsorption energy, geometry, charge analysis and electronic structure of Na adatom on mono-layer Ga100. Na is an s valence alkali metal. We find the Na atom invoke an affluent diversity of structural, energetic and electronic properties. Our work demonstrates that Ga100 forms the strong bonds with Na atom. The adsorption energy of Na atom on Ga100 is more than on graphene. These results indicate that Na adsorbed Ga100 can be a promising material in the 2D family.Gallenene (Ga100), a Ga-based 2D material, is a new member of nanomaterial family. Based on the density functional theory (DFT), we studied the adsorption energy, geometry, charge analysis and electronic structure of Na adatom on mono-layer Ga100. Na is an s valence alkali metal. We find the Na atom invoke an affluent diversity of structural, energetic and electronic properties. Our work demonstrates that Ga100 forms the strong bonds with Na atom. The adsorption energy of Na atom on Ga100 is more than on graphene. These results indicate that Na adsorbed Ga100 can be a promising material in the 2D family.