First-Principles Insights into Mo and Chalcogen Dopant Positions in Anatase, TiO<sub>2</sub>
This study employs density functional theory (DFT) to investigate the electronic and optical properties of molybdenum (Mo) and chalcogen (S, Se, Te) co-doped anatase TiO<sub>2</sub>. Two co-doping configurations were examined: Model 1, where the dopants are adjacent, and Model 2, where t...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2025-07-01
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| Series: | Computation |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2079-3197/13/7/170 |
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