Stability analysis and structural rules of titanium dioxide clusters (TiO2)n with n = 1-9

- We investigated the structure and stability of (TiO2)n clusters with n = 1-9.
- Some initial structures are introduced and proved to be the real global minimum.
- We summarized the structural rules for small (TiO2)n clusters.
- The bonding features for the energy increment or decrement of the clusters are investigated.
- A general shift of stability and reactivity with size for (TiO2)n clusters.