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...
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| Date: | 2019 |
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| Main Authors: | , |
| Format: | Article |
| Language: | English |
| Published: |
Інститут фізики конденсованих систем НАН України
2019
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| Series: | Condensed Matter Physics |
| Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/157478 |
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| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | 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. |