Nitrogen dioxide and ammonia gas molecules interaction studies on phosphorene nanosheet — a DFT investigation
The adsorption behaviour of hazardous gas molecules, namely nitrogen dioxide (NO₂ ) and ammonia (NH₃), on phosphorene nanosheet (PNS) was explored by means of ab initio technique. To improve the structural solidity of pristine PNS, we have introduced the passivation of hydrogen and fluorine at the...
Gespeichert in:
| Datum: | 2019 |
|---|---|
| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | English |
| Veröffentlicht: |
Інститут фізики конденсованих систем НАН України
2019
|
| Schriftenreihe: | Condensed Matter Physics |
| Online Zugang: | http://dspace.nbuv.gov.ua/handle/123456789/157478 |
| 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: | Nitrogen dioxide and ammonia gas molecules interaction studies on phosphorene nanosheet — a DFT investigation / V. Nagarajan, R. Chandiramouli // Condensed Matter Physics. — 2019. — Т. 22, № 1. — С. 13703: 1–15. — Бібліогр.: 56 назв. — англ. |