A THEORETICAL MODEL FOR CREATION OF ZnO NANOTUBES: A SEMI-EMPIRICAL THERMODYNAMIC STUDY
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| Natura: | Artículo científico |
| Lingua: | en |
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Universidad Mayor de San Andrés
2016
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| _version_ | 1876475832780718080 |
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| author | M. Al-Anber |
| author_facet | M. Al-Anber |
| contents | A THEORETICAL MODEL FOR CREATION OF ZnO NANOTUBES: A SEMI-EMPIRICAL THERMODYNAMIC STUDY M. Al-Anber Química Semi Nanotubes Thermodynamic empirical method Zinc oxide nanotubes The thermodynamic functions to test the ZnO nanotubes building were investigated by the semi-empirical method PM6 calculations. It was found that the priority to build tetragonal ZnO nanotubes is by tetragonal periodic units (I) and that tetragonal ZnO nanotubes with a N=4 length were more favourable than those constructed by the tetragonal periodic units and than those of one layer (I). Also, hexagonal ZnO nanotubes, which were built from the hexagonal periodic unit (VI), were more spontaneous since they have more spontaneity than the tetragonal ZnO nanotubes. The added part (II) to build the diameters of ZnO nanotubes was the most favourable. It was established that the entropy didn't have a real influence on these building processes. 2016 artículo científico 0250-5460 https://www.redalyc.org/articulo.oa?id=426346434005 en http://www.redalyc.org/revista.oa?id=4263 Revista Boliviana de Química application/pdf Universidad Mayor de San Andrés Revista Boliviana de Química (Estado Plurinacional de Bolivia) Num.2 Vol.33 |
| format | Artículo científico |
| id | redalyc_426346434005 |
| institution | Redalyc |
| language | en |
| publishDate | 2016 |
| publisher | Universidad Mayor de San Andrés |
| spellingShingle | A THEORETICAL MODEL FOR CREATION OF ZnO NANOTUBES: A SEMI-EMPIRICAL THERMODYNAMIC STUDY M. Al-Anber Química Semi Nanotubes Thermodynamic empirical method Zinc oxide nanotubes A THEORETICAL MODEL FOR CREATION OF ZnO NANOTUBES: A SEMI-EMPIRICAL THERMODYNAMIC STUDY M. Al-Anber Química Semi Nanotubes Thermodynamic empirical method Zinc oxide nanotubes The thermodynamic functions to test the ZnO nanotubes building were investigated by the semi-empirical method PM6 calculations. It was found that the priority to build tetragonal ZnO nanotubes is by tetragonal periodic units (I) and that tetragonal ZnO nanotubes with a N=4 length were more favourable than those constructed by the tetragonal periodic units and than those of one layer (I). Also, hexagonal ZnO nanotubes, which were built from the hexagonal periodic unit (VI), were more spontaneous since they have more spontaneity than the tetragonal ZnO nanotubes. The added part (II) to build the diameters of ZnO nanotubes was the most favourable. It was established that the entropy didn't have a real influence on these building processes. 2016 artículo científico 0250-5460 https://www.redalyc.org/articulo.oa?id=426346434005 en http://www.redalyc.org/revista.oa?id=4263 Revista Boliviana de Química application/pdf Universidad Mayor de San Andrés Revista Boliviana de Química (Estado Plurinacional de Bolivia) Num.2 Vol.33 |
| title | A THEORETICAL MODEL FOR CREATION OF ZnO NANOTUBES: A SEMI-EMPIRICAL THERMODYNAMIC STUDY |
| topic | Química Semi Nanotubes Thermodynamic empirical method Zinc oxide nanotubes |
| url | https://www.redalyc.org/articulo.oa?id=426346434005 |