| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7761431 | Journal of Solid State Chemistry | 2012 | 6 Pages |
Abstract
⺠Original approach of TiNF structure for addressing the electronic band structure. ⺠Based on anatase, two different ordering scheme models with geometry optimization. ⺠New structures obeying the groupâsubgroup relationships with Imm2 ground state from energy. ⺠In the ground state TiNF is found semi-conducting with similar density of states to anatase TiO2. ⺠Chemical bonding differentiated between covalent like Ti-N and ionic Ti-F.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
Samir F. Matar,