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...
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| Published in: | Condensed Matter Physics |
|---|---|
| Date: | 2017 |
| Main Authors: | , , |
| Format: | Article |
| Language: | English |
| Published: |
Інститут фізики конденсованих систем НАН України
2017
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| Online Access: | https://nasplib.isofts.kiev.ua/handle/123456789/157033 |
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| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | 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. |