Calculation Study of Conversion Nitrate Ions to N2 and O2 by Zinc Oxide Nano-Cage (Zn12O12-NC)
The aim of this study is to investigate the performance of zinc oxide nano-cages (Zn12O12-NC) to detect and reduce nitrate (NO3-) ions from aqueous media and convert them to oxygen and nitrogen gases by the density functional theory (DFT) method on a B3LYP level with basis set of 6-31+G*. Due to the...
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| Format: | Article |
| Language: | English |
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Iranian Environmental Mutagen Society
2019-04-01
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| Series: | Journal of Water and Environmental Nanotechnology |
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| Online Access: | http://www.jwent.net/article_35826_55a2b2280618585fe2966d1a89799380.pdf |