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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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