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Theoretical characterization of several models of nanoporous carbon | |
FELIPE VALENCIA HERNANDEZ ALDO HUMBERTO ROMERO CASTRO Eduardo R. Hernandez MAURICIO TERRONES MALDONADO Humberto Terrones Maldonado | |
Acceso Abierto | |
Atribución-NoComercial-SinDerivadas | |
https://doi.org/10.1088/1367-2630/5/1/123 | |
"Elastic, electronic and vibrational properties of seven models of nanoporous carbon are reported. The studied structures are periodic graphitic arrangements with heptagonal and octagonal rings of carbon, known as Schwarzites. The calculations were performed within a non-orthogonal tight binding framework which has been shown to be reliable for diamond, graphene layers, fullerenes and carbon nanotubes. In contrast with previous studies, each structure was properly relaxed, so that differences between each model must be assigned to intrinsic properties rather than to differences in their construction. Thermodynamic properties were calculated from the vibrational density of states." | |
IOP Publishing | |
2003 | |
Artículo | |
F Valencia et al 2003 New J. Phys. 5 123 | |
FÍSICA | |
Versión publicada | |
publishedVersion - Versión publicada | |
Aparece en las colecciones: | Publicaciones Científicas Nanociencias y Materiales |
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NewJPhys5(2003)123.pdf | 1.05 MB | Adobe PDF | Visualizar/Abrir |