The changes in charge of the CO, of the support, and of the Ru nanorod upon CO adsorption at interface (i) and (ii) sites for the different O-vacancy locations as well as for the fully oxidized system (0VO) are illustrated in Figure . Generally, there is a higher charge transfer to the CO for adsorption on the interface (i) site than for the interface (ii) site, which fits to the generally higher CO adsorption energy in the former case, but differences between different Ovacancies are small. Only for adsorption on the interface (ii) site in the presence of an Ovacancy on the (ii) site there is a much more pronounced charge transfer to the CO (Figure ). This is likely related to the change in adsorption site for this system, from Ru-2a / Ru-6a to Ru-2a / Ru-3a (Table ), and in fact could provide the driving force for it.