Article ID Journal Published Year Pages File Type
1524288 Materials Chemistry and Physics 2011 7 Pages PDF
Abstract

- 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.
Keywords
Related Topics
Physical Sciences and Engineering Materials Science Electronic, Optical and Magnetic Materials
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Stability analysis and structural rules of titanium dioxide clusters (TiO2)n with n = 1-9
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