Please use this identifier to cite or link to this item: http://hdl.handle.net/2445/147061
Title: Grazynes: carbon-based two-dimensional composites with anisotropic properties
Author: Kamalinahad, Saeedeh
Viñes Solana, Francesc
Gamallo Belmonte, Pablo
Keywords: Estructura química
Estructura molecular
Energia
Chemical structure
Molecular structure
Energy
Issue Date: 14-Oct-2019
Publisher: American Chemical Society
Abstract: A new family of two-dimensional carbon allotropes is presented, based on graphene stripes linked to each other by acetylenic connections. The large amount of allowed connectivities demands for a family name to them: Grazynes. The present study reports the energetic, structural, elastic, and electronic physicochemical properties of a set of simple grazynes by means of density functional theory based calculations, suggesting also possible synthetic routes. The main results conclude that these are exotic yet stable materials, stiffer than graphene in the acetylenic direction, highly anisotropic, and with the presence of Dirac points in the reciprocal space along the graphene stripes direction resistant to strain, regardless of its direction. Thus, grazynes infer directionality in electron conductivity and resilience to the materials stretching/compression, quite important, for instance, in the nanoelectronics applicability point of view.
Note: Versió postprint del document publicat a: https://doi.org/10.1021/acs.jpcc.9b06942
It is part of: Journal of Physical Chemistry C, 2019, vol. 123, num. 44, p. 27140-27149
URI: http://hdl.handle.net/2445/147061
Related resource: https://doi.org/10.1021/acs.jpcc.9b06942
ISSN: 1932-7447
Appears in Collections:Articles publicats en revistes (Ciència dels Materials i Química Física)

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