Adsorption of Aniline Toxic Gas on a BeO Nanotube
Electrical sensitivity of a beryllium oxide nanotube (BeONT) was examined toward aniline (C6H5 NH2) molecule by using Density Functional Theory (DFT) calculations at the B3LYP/6-31G (d) level, and it was found that the adsorption energy (Ead) of aniline on the pristine nanotubes is about -19.06kcal/...
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| Glavni autori: | , , , , , , |
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| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR
2019-02-01
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| Serija: | Iranian Journal of Chemistry & Chemical Engineering |
| Teme: | |
| Online pristup: | http://www.ijcce.ac.ir/article_30042_6332543b97507b873ff4fa269c1afbd5.pdf |
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