The structure and stability of (CoO)(x) clusters in siliceous ZSM5 (si
licalite) and on SiO2 have been investigated using atomistic simulatio
n techniques. The deconvolution of the energy into distortion and inte
raction contributions revealed that the improved stability of the supp
orted clusters is due to the energy gained from the cluster-host inter
action. (CoO)(x) clusters in ZSM5 of between 4 and 6 Co atoms showed a
n enhanced stability, while clusters larger than 18 Co atoms were ster
ically limited inside the zeolite lattice.