Ti-doped ?-Fe2O3 by quantum-chemical modeling
Structure and electronic properties of Ti-doped hematite (?-Fe 2O3) crystal have been studied using a quantum-chemical method based on the Hartree-Fock theory. A supercell model employing a system consisting of 120 atoms has been exploited throughout the investigation. The impurity presence produces...
Gardado en:
| Autor Principal: | |
|---|---|
| Formato: | article |
| Publicado: |
2010
|
| Subjects: | |
| Acceso en liña: | http://dspace.utpl.edu.ec/handle/123456789/18854 |
| Tags: |
Engadir etiqueta
Sen Etiquetas, Sexa o primeiro en etiquetar este rexistro!
|
Engadir etiqueta