Abstract
The initial adsorption mechanisms of TiCl4 on OH/Si(1 0 0)-2 × 1 surface were theoretically investigated with the help of ab initio theories. Four reaction channels were identified. The penta-coordinated Ti, which effectively blocks the surface adsorption sites, plays a significant role in all processes.
| Original language | English |
|---|---|
| Pages (from-to) | 69-73 |
| Number of pages | 5 |
| Journal | Chemical Physics Letters |
| Volume | 457 |
| Issue number | 1-3 |
| DOIs | |
| State | Published - 20 May 2008 |