Ocean University of China – TechConnect Briefs

Adsorption of Cl adatom on Na-Decorated graphene

Yuan G., Song X., Li C., Wang J., Mimura H., Ocean University of China, CN

In this presentation, the effects of the Cl adatom on Na-decorated graphene are studied using first principles density functional theory. The adsorption energy, geometric structure, charge density difference, and density of states are calculated under [...]