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...
Saved in:
| Main Author: | |
|---|---|
| Other Authors: | |
| Format: | Final Year Project |
| Language: | English |
| Published: |
2010
|
| Subjects: | |
| Online Access: | http://hdl.handle.net/10356/36176 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Institution: | Nanyang Technological University |
| Language: | English |