during relaxation (see Table ). This trend fits also to the enhanced charge transfer to the CO for this system (Figure ), while the CO adsorption energy increases only little. Finally, for the d-band center on the frozen structure (red line in Figure right, see explanation above), the values follow the trend obtained for the original structure of the Ru nanorod (black line in Figure , right), only up-shifted by about 0.2 eV. Similar to adsorption on the interface (i) site, COad induced restructuring increases the ability to form a strong CO adsorption bond. Only for the last system, with an O-vacancy on the 7i site, the d-band center energy does not follow the trend obtained for the original structure, but rather exhibits a slight further down-shift. The much smaller change from the 1VO(4i) system to the 1VO(7i) system seems to fit better to the small change in CO adsorption energy than the bigger change obtained for the original structure, although we consider changes in the d-band center of >0.2 eV to be at the limit of the predictive power of the d-band model.