Native defects in LiTaO3 photocatalyst : a DFT study
First principle calculations based on density-functional theory were conducted to investigate the formation energies of various native defects in lithium tantalate, LiTaO3, a prospective photo catalyst for the splitting of water. The formation of various defects is found to be sensitive to the growt...
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| Format: | Final Year Project (FYP) |
| Language: | English |
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2010
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| Online Access: | http://hdl.handle.net/10356/36176 |