Theoretical study of interaction between Mexiletine drug and pristine, Si-, Ga- and Al-doped boron nitride nano sheet.
ABSTRACTIn this study, the adsorption behavior of pristine, -Si, -Ga and -Al doped boron nitride nanosheet (BNN) is investigated toward the mexiletine drug using density functional theory (DFT) calculations. Total energies, geometry optimizations were obtained and density of state (DOS) analysis was...
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| Formatua: | Artigo |
| Hizkuntza: | Inglês |
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Iranian Chemical Science and Technologies Association
2022-08-01
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| Saila: | Journal of Chemistry Letters |
| Gaiak: | |
| Sarrera elektronikoa: | https://www.jchemlett.com/article_166322_7a38dae907d984881e122541c84006d2.pdf |
| Etiketak: |
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