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The Effect of Nano Confinement on the C–H Activation and its Corresponding Structure-Activity Relationship
The C–H activation of methane, ethane, and t-butane on inner and outer surfaces of nitrogen-doped carbon nanotube (NCNTs) are investigated using density functional theory. It includes NCNTs with different diameters, different N and O concentrations, and different types (armchair and zigzag). A unive...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2014
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4245521/ https://www.ncbi.nlm.nih.gov/pubmed/25428459 http://dx.doi.org/10.1038/srep07225 |