We performed density-functional-theoretical calculations to investigate the adsorption of two stable nanoclusters
corresponding to (TiO2)N with N = 3 and 5 supported on three different type of substrates: graphene,
silver and gold. For each of these surfaces we consider three textures: pristine, with a single vacancy and with a
Co atom as impurity. In the case of the defects (vacancy or impurity) they act as possible anchors for the
adsorption of the cluster. The proposed particles present flat configurations in their respective free standing
putative ground states, so they can accommodate themselves as parallel, perpendicular or inclined with respect
to the surface producing different isomers: only the four lowest energy isomers for each particle (N = 3 or 5),
each surface and each texture are reported and analyzed. Density Functional Theory calculations by means of the
SIESTA package are done in a thorough way covering a large number of the possible configurations. Reported
parameters are: adsorption energy, assisted binding energy (binding energy in the presence of the substrate), and
the main different interatomic distances presented in the adsorption. A comparison with some previous theoretical
results on related systems is done. Possible extensions of this work are commented.
