Chiang Mai Journal of Science

Noncovalent-interaction of small vanadium oxide and ruthenium oxide clusters, (V₂O₅)_n and (RuO₂)_n, with graphenic carbon model of 120 carbon atoms were studied by dispersion-corrected density functional theory. The non-covalent interaction and atoms-in-molecules analyses help identifying the interaction between metal oxide clusters and graphenic carbons. These explain the different degree of interaction energy in these systems. The metal oxide cluster prefers to orient the metal atom with low oxygen coverage towards the graphenic carbon model to achieve strong electrostatic interaction which is stronger than the oxygen-carbon interaction observed mostly in vanadium oxide clusters.