Computational Study of Allotropic Structures of Carbon by Density Functional Theory (DTF)
In this paper using Density Functional Theory (DFT), the principal carbon allotropic crystalline structures (Diamond, graphite, nanotube y fullerene- C60) were simulated. The results showsdiamond sp3 bonds formation be- tween carbon atomsand low reactivity, indicating low probability of lateral comp...
Gardado en:
| Publicado en: | Ingeniería y Ciencia |
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| Principais autores: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
Universidad EAFIT
2014
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| Assuntos: | |
| Acceso en liña: | https://www.redalyc.org/articulo.oa?id=83529978008 |
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