Electronic structure modulation in Fe- and Ag-doped rutile TiO₂: A GGA+U approach for optoelectronic and solar applications
In this work, we carry out an ab initio study of pure and doped rutile TiO₂ using the GGA+U the generalized gradient approximation plus Hubbard U correction approach within density functional theory (DFT). Doping with iron (Fe) and silver (Ag) is investigated to understand their effects on the struc...
Shranjeno v:
| Principais autores: | , |
|---|---|
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
Elsevier
2026-01-01
|
| Serija: | Next Materials |
| Teme: | |
| Online dostop: | http://www.sciencedirect.com/science/article/pii/S294982282501086X |
| Oznake: |
Brez oznak, prvi označite!
|