skip to main content
Menu

Keyword: Physical properties

Structural and electronic properties of Li_n, B_n, N_n and O_n (n=1-4) clustering on graphene: Density functional theory calculations with dispersive forces correction

We have performed density functional theory calculations to study the adsorption of Li, B, N, and O clusters on graphene to clarify the interaction of these atoms with a graphene sheet. The stable structure, the adsorption energy, and the density of states (DOS) of atom-graphene systems are calculated. The obtained results of the structural, adsorption […]

Structural and electronic properties of Li_n, B_n, N_n and O_n n=1-4 clustering on graphene Density functional theory calculations with dispersive forces correction