Adsorption behavior of mephentermine on the pristine and Si, Al, Ga- doped boron nitride nanosheets: DFT studies
In this research, the adsorption behavior of pristine, Si- and Al- and Ga-doped boron nitride nano sheet are investigated toward mephentermine using density functional theory (DFT) calculations. Total energies, geometry optimizations were obtained and density of state (DOS) analysis was performed at...
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| Main Author: | |
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| Format: | Article |
| Language: | English |
| Published: |
Iranian Chemical Science and Technologies Association
2020-12-01
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| Series: | Journal of Chemistry Letters |
| Subjects: | |
| Online Access: | https://www.jchemlett.com/article_146064_31051366c1938f71e5e0bac41b9290ae.pdf |
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