Sensing behavior of acetone vapors on TiO₂ nanostructures — application of density functional theory
The electronic properties of TiO₂ nanostructure are explored using density functional theory. The adsorption properties of acetone on TiO₂ nanostructure are studied in terms of adsorption energy, average energy gap variation and Mulliken charge transfer. The density of states spectrum and the band...
Gespeichert in:
| Veröffentlicht in: | Condensed Matter Physics |
|---|---|
| Datum: | 2017 |
| Hauptverfasser: | , , |
| Format: | Artikel |
| Sprache: | English |
| Veröffentlicht: |
Інститут фізики конденсованих систем НАН України
2017
|
| Online Zugang: | https://nasplib.isofts.kiev.ua/handle/123456789/157033 |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | Sensing behavior of acetone vapors on TiO₂ nanostructures — application of density functional theory / V. Nagarajan, S. Sriram, R. Chandiramouli // Condensed Matter Physics. — 2017. — Т. 20, № 4. — С. 43708: 1–13. — Бібліогр.: 45 назв. — англ. |