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Molecular simulation of efficient removal of H(2)S pollutant by cyclodextrine functionalized CNTs
DFT-D3 calculations were carried out to investigate interaction of H(2)S and CH(4) between numerous functionalized CNTs (f-CNTs), including hydroxyl, carboxyl, and cyclodextrin groups as potential candidates for selective adsorption and elimination of toxic pollutants. It was found that pristine CNT...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6650489/ https://www.ncbi.nlm.nih.gov/pubmed/31337798 http://dx.doi.org/10.1038/s41598-019-46816-2 |