Zobrazeno 1 - 10
of 19
pro vyhledávání: '"De Sousa, José. M."'
In the present work, first-principles calculations based on the density functional theory (DFT), GW approximation and Bethe-Salpeter equation (BSE) are performed to study the electronic and optical properties of penta-graphene (PG) monolayer. The res
Externí odkaz:
http://arxiv.org/abs/2401.05429
Carbon is the most important chemical element and the theoretical study of its new allotropes can be of great interest. In this study, regular dodecahedron (dodecahedrane) oligomers (n = 1, 3, 5, 7, 9, 11, 13) by extending the dodecahedrane units in
Externí odkaz:
http://arxiv.org/abs/2311.06614
A novel two-dimensional carbon allotrope called PCF-graphene has been theoretically proposed. The development of its nanostructured morphology has arrangement a non-aromatic molecule cyclooctatetraene as a precursor (poly-cyclooctatetraene framework)
Externí odkaz:
http://arxiv.org/abs/2310.02178
In this work, we present a theoretical investigation of the elasticity properties of new exotic carbon allotropes studied recently called Irida-graphene and Sun-graphene. The Irida-graphene is a new 2D all-sp2 carbon allotrope composed of fused rings
Externí odkaz:
http://arxiv.org/abs/2310.02165
Autor:
Junior, Marcelo L. Pereira, De Sousa, José. M., Brandão, Wjefferson H. S., Galvão, Douglas. S., Fonseca, Alexandre F., Junior, Luiz A. Ribeiro
Me-graphene (MeG) is a novel two-dimensional (2D) carbon allotrope. Due to its attractive electronic and structural properties, it is important to study the mechanical behavior of MeG in its monolayer and nanotube topologies. In this work, we conduct
Externí odkaz:
http://arxiv.org/abs/2303.07518
Publikováno v:
In Chemical Physics Letters 16 April 2024 841
Autor:
Júnior, Marcelo L. Pereira, Júnior, Luiz A. Ribeiro, Brandão, Wjefferson H. S., Aguiar, Acrisio L., Galvão, Douglas S., De Sousa, José M.
Publikováno v:
ChemPhysChem, 2020, 21, 1918-1924
Popgraphene (PopG) is a new 2D planar carbon allotrope which is composed of $5-8-5$ carbon rings. PopG is intrinsically metallic and possesses excellent thermal and mechanical stability. In this work, we report a detailed study of the thermal effects
Externí odkaz:
http://arxiv.org/abs/2005.05479
Autor:
Pereira, Marcelo L., Junior, De Sousa, José. M., Brandão, Wjefferson H.S., Galvão, Douglas. S., Fonseca, Alexandre F., Ribeiro, Luiz A., Junior
Publikováno v:
In Chemical Physics Letters November 2023 830
Autor:
de Sousa, Jose M., Aguiar, Acrisio L., Girao, Eduardo C., Fonseca, Alexandre F., Filho, Antonio G. Sousa, Galvao, Douglas S.
Recently, a new 2D carbon allotrope structure, named phagraphene (PG), was proposed. PG has a densely array of penta-hexa-hepta-graphene carbon rings. PG was shown to present low and anisotropic thermal conductivity and it is believed that this aniso
Externí odkaz:
http://arxiv.org/abs/1801.04292
Autor:
de Sousa, Jose M., Aguiar, Acrisio L., Girão, Eduardo C., Fonseca, Alexandre F., Filho, Antonio G. Sousa, Galvao, Douglas S.
The study of the mechanical properties of nanostructured systems has gained importance in theoretical and experimental research in recent years. Carbon nanotubes (CNTs) are one of the strongest nanomaterials found in nature, with Young's Modulus (YM)
Externí odkaz:
http://arxiv.org/abs/1801.04269