Al-bound hole polarons in TiO2
Changes in the structural and electronic properties of TiO2 (anatase and rutile) due to the Al-doping are studied using a quantum-chemical approach based on the Hartree-Fock theory. The formation of hole polarons trapped at oxygen sites near the Al impurity has been discovered and their spatial conf...
Furkejuvvon:
| Váldodahkki: | |
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| Eará dahkkit: | |
| Materiálatiipa: | article |
| Almmustuhtton: |
2009
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| Fáttát: | |
| Liŋkkat: | http://dspace.utpl.edu.ec/handle/123456789/19297 |
| Fáddágilkorat: |
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