First-principles study of electronic properties of Zn and La doped and co-doped anatase TiO2
Ab initio computational modeling, based on Density Functional Theory, was employed to predict the influence of metal ions Zn2+ and La3+ on structural, electronic, and photocatalytic properties of anatase TiO2. Specifically, chemical modification of TiO2 was conducted by doping and co-doping the TiO2...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2023-12-01
|
| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0174393 |