Interaction of chlorine adatom with lithium adatom on opposite sides of graphene

摘要

Using first principles density functional theory, we study chlorine (Cl) and lithium (Li) adatoms co-adsorption properties on different sides of single-layer graphene sheet. Cl adatom gathers more charge and the adsorption system become more stable. But due to the effects of graphene, the interaction between Li and Cl adatoms is weakened and the lost charge of Li adatom is not all transferred from graphene to Cl adatom.