Sensing behavior of acetone vapors on TiO_2 nanostructures — application of density functional theory
The electronic properties of TiO_2 nanostructure are explored using density functional theory. The adsorption properties of acetone on TiO_2 nanostructure are studied in terms of adsorption energy, average energy gap variation and Mulliken charge transfer. The density of states spectrum and the band...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Institute for Condensed Matter Physics
2017-12-01
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| Series: | Condensed Matter Physics |
| Subjects: | |
| Online Access: | https://doi.org/10.5488/CMP.20.43708 |