Coordination Geometry and Catalytic Activity of Vanadium on TiO2 Surfaces

The Brown-Altermatt model is applied to evaluate the oxidation states of vanadium on the TiO2(001)-rutile and -anatase surfaces.On the basis of this model, possible correlations between different geometries of vanadium crystallographic sites on these surfaces and the vanadium oxidation states are studied. The study of these geometries helps in interpreting both activity and selectivity in catalyzed reactions.