DFT study on sensing possibility of the pristine and Al- and Ga-embeded B12N12 nanostructures toward hydrazine and hydrogen peroxide and their analogues
We have perused the absorbency of N2H4, P2H4, O2H2 and S2H2 molecules on the exterior level of pristine and Al- and Ga-embeded B12N12 nanostructures using through density functional theory (DFT) calculations. The consequences indicates that most favorable adsorption configurations are those in which...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Iranian Chemical Science and Technologies Association
2019-11-01
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| Series: | Chemical Review and Letters |
| Subjects: | |
| Online Access: | http://www.chemrevlett.com/article_102194_99ba68ede8485343a9918b065f2efb75.pdf |