Theoretical insights into the surface growth of rutile TiO2
Adsorption of TiCl 4 molecules on the reduced [110] surface of TiO 2 is investigated using density functional theory with plane wave basis sets and pseudo-potentials. Adsorption energies and barriers are calculated and discussed. The rate of this adsor...
| Main Authors: | , , , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2011
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