Electronic structure, cohesive and magnetic properties of iridium oxide clusters adsorbed on graphene.

In this study, we investigated and revealed the electronic properties, geometric structures and binding behavior of small (IrO) and [Formula: see text] (n = 1-5) clusters within first principles calculations based on the density functional theory. The electronic and magnetic properties of small nanoclusters displayed significant size dependency due to strong quantum confinement effect. Moreover we considered the binding and structural modification of the clusters on graphene surface as a substrate.