Time-Dependent Density Functional Theory Calculations of N- and S-Doped TiO<sub>2</sub> Nanotube for Water-Splitting Applications
On the basis of time-dependent density functional theory (TD-DFT) we performed first-principle calculations to predict optical properties and transition states of pristine, N- and S-doped, and N+S-codoped anatase TiO<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML"...
Guardado en:
| Autores principales: | , , , , , , , |
|---|---|
| Formato: | article |
| Lenguaje: | EN |
| Publicado: |
MDPI AG
2021
|
| Materias: | |
| Acceso en línea: | https://doaj.org/article/ff2241c6415841c7b86242dddcf9386c |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|