The simultaneous effect of 3d impurities of transition metals and oxygen vacancy defect on TiO2 anatase and rutile
In this work, the formation of oxygen-vacancy defect in 3d metals-doped TiO2 anatase and rutile structures is first investigated. The systematic calculations of formation energy, crystalline stability, band structure and density of state (DOS) of TiO2 samples of anatase and rutile doped with 3d tran...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Isfahan University of Technology
2019-06-01
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| Series: | Iranian Journal of Physics Research |
| Subjects: | |
| Online Access: | http://ijpr.iut.ac.ir/browse.php?a_code=A-10-3131-1&slc_lang=en&sid=1 |