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pro vyhledávání: '"00-xx"'
Autor:
Santos, E. J. A. dos, Junior, M. L. Pereira, Tromer, R. M., Galvão, D. S., Junior, L. A. Ribeiro
The recent synthesis of nitrogen-doped monolayer amorphous carbon (MAC @N) opens new possibilities for multifunctional materials. In this study, we have investigated the nitrogen doping limits and their effects on MAC@N's structural and electronic pr
Externí odkaz:
http://arxiv.org/abs/2410.09603
Autor:
Pereira, Jr, Marcelo Lopes, Santos, Emanuel J. A. dos, Ribeiro, Jr, Luiz Antonio, Galvão, Douglas Soares
The recent synthesis of Goldene, a 2D atomic monolayer of gold, has opened new avenues in exploring novel materials. However, the question of when multilayer Goldene transitions into bulk gold remains unresolved. This study used density functional th
Externí odkaz:
http://arxiv.org/abs/2409.11880
Autor:
Felix, Isaac de Macêdo, Tromer, Raphael Matozo, Machado, Leonardo Dantas, Galvão, Douglas Soares, Ribeiro Jr, Luiz Antônio, Pereira Jr, Marcelo Lopes
The thermal conductivity of two-dimensional (2D) materials is critical in determining their suitability for several applications, from electronics to thermal management. In this study, we have used Molecular Dynamics (MD) simulations to investigate t
Externí odkaz:
http://arxiv.org/abs/2409.10355
Autor:
Felix, Isaac M., Tromer, Raphael M., Machado, Leonardo D., Galvão, Douglas S., Ribeiro Jr, Luiz A., Pereira Jr, Marcelo L.
Recently, a new 2D carbon allotrope called Irida-Graphene (Irida-G) was proposed. Irida-G consists of a flat sheet topologically arranged into 3-6-8 carbon rings exhibiting metallic and non-magnetic properties. In this study, we investigated the ther
Externí odkaz:
http://arxiv.org/abs/2406.15855
A recent breakthrough has been achieved by synthesizing monolayer amorphous carbon (MAC), which introduces a material with unique optoelectronic properties. Here, we used ab initio (DFT) molecular dynamics simulations to study silicon and germanium M
Externí odkaz:
http://arxiv.org/abs/2406.13769
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
The class of 2D carbon allotropes has garnered significant attention due to its exceptional optoelectronic and mechanical properties, crucial for diverse device applications, such as energy storage. This study employs density functional theory calcul
Externí odkaz:
http://arxiv.org/abs/2311.10704
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
Autor:
Lima, K. A. L., Ribeiro, L. A.
Silicon-based two-dimensional (2D) materials, including well-known silicene, have garnered considerable attention due to their potential in advanced electronic and optoelectronic applications. Here, we introduce a novel 2D silicon variant, pentahexoc
Externí odkaz:
http://arxiv.org/abs/2311.00124
Autor:
de Sousa, José Moreira
In Physics, we are generally interested in real solutions involving natural phenomena, where knowledge of real functions of real variables is sufficient to obtain physically relevant results. However, the complexity of phenomena associated with natur
Externí odkaz:
http://arxiv.org/abs/2310.13749