Doping induced phase stabilization and electronic properties of alkaline earth metal doped zirconium (IV) oxide: A first principles study
The role of divalent dopant cations such as Ca and Mg in phase stabilization of ZrO2 has been demonstrated experimentally, with Mg emerging as a crucial dopant ion because of its ability to enhance the photocatalytic properties of ZrO2. To provide a theoretical basis for these experimental observati...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-10-01
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| Series: | Heliyon |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2405844023082063 |