Interaction of NH₃ gas on α-MoO₃ nanostructures — a DFT investigation
The structural stability, electronic properties and NH₃ adsorption properties of pristine, Ti, Zr and F substituted α-MoO₃ nanostructures are successfully studied using density functional theory with B3LYP/LanL2DZ basis set. The structural stability of α-MoO₃ nanostructures is discussed in terms o...
Saved in:
| Date: | 2017 |
|---|---|
| Main Authors: | , |
| Format: | Article |
| Language: | English |
| Published: |
Інститут фізики конденсованих систем НАН України
2017
|
| Series: | Condensed Matter Physics |
| Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/156999 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | Interaction of NH₃ gas on α-MoO₃ nanostructures — a DFT investigation / V. Nagarajan, R. Chandiramouli // Condensed Matter Physics. — 2017. — Т. 20, № 2. — С. 23705: 1–16. — Бібліогр.: 58 назв. — англ. |