Zobrazeno 1 - 10
of 270
pro vyhledávání: '"Galvão, Douglas Soares"'
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:
Quispe, Juan Gomez, Nascimento, Bruno Bueno Ipaves, Galvao, Douglas Soares, Autreto, Pedro Alves da Silva
The potential of tetra-penta-deca-hexagonal graphene (TPDH-gr), a recently proposed 2D carbon allotrope as an anodic material in lithium ion batteries (LIB), was investigated through density functional theory (DFT) calculations. The results indicate
Externí odkaz:
http://arxiv.org/abs/2407.04788
Tetra-Penta-Deca-Hexa-graphene (TPDH) is a new 2D carbon allotrope with attractive electronic and mechanical properties. It is composed of tetragonal, pentagonal, and hexagonal carbon rings. When TPDH-graphene is sliced into quasi-one-dimensional (1D
Externí odkaz:
http://arxiv.org/abs/2406.19536
We have combined DFT calculations with the Boltzmann semiclassical transport theory to investigate the effect of selective hydrogenation on the thermoelectric properties of tetra-penta-deca-hexagonal graphene (TPDH-gr), a recently proposed new 2D car
Externí odkaz:
http://arxiv.org/abs/2402.09572
Autor:
Buzelli, Thiago, Ipaves, Bruno, Almeida, Wanda Pereira, Galvao, Douglas Soares, Autreto, Pedro Alves da Silva
In this study, we investigated the correlation between the electronic properties of anticholinesterase compounds and their biological activity. While the methodology of such correlation is well-established and has been effectively utilized in previou
Externí odkaz:
http://arxiv.org/abs/2309.07312
Autor:
Júnior, Marcelo Lopes Pereira, Júnior, Luiz Antonio Ribeiro, Galvão, Douglas Soares, de Sousa, José Moreira
Carbon nanoscrolls (CNSs) are nanomaterials with geometry resembling graphene layers rolled up into a spiral (papyrus-like) form. Effects of hydrogenation and temperature on the self-scrolling process of two nanoribbons interacting with a carbon nano
Externí odkaz:
http://arxiv.org/abs/2105.01756
Recently, an experimental study developed an efficient way to obtain sulfur-doped gamma-graphdiyne. This study has shown that this new material could have promising applications in lithium-ion batteries, but the complete understanding of how the sulf
Externí odkaz:
http://arxiv.org/abs/2005.05242
Autor:
Santos, Ramiro Marcelo dos, de Aguiar, Acrisio Lins, Martins, Jonathan da Rocha, Santos, Renato Batista dos, Galvão, Douglas Soares, Junior, Luiz Antonio Ribeiro
Publikováno v:
Comp. Mater. Science 2020, 183, 109860
Due to the wide range of possible applications, atomically thin two-dimensional heterostructures have attracted much attention. In this work, using first-principles calculations, we investigated the structural and electronic properties of planar AlN/
Externí odkaz:
http://arxiv.org/abs/2001.10320
Autor:
Santos, Ramiro Marcelo dos, de Sousa, Leonardo Evaristo, Galvão, Douglas Soares, Junior, Luiz Antonio Ribeiro
Publikováno v:
Scientific Reports 2020, 10, 8014
Penta-graphene is a quasi-two-dimensional carbon allotrope consisting of a pentagonal lattice in which both sp2 and sp3-like carbons are present. Unlike graphene, penta-graphene exhibits a non-zero bandgap, which opens the possibility of its use in o
Externí odkaz:
http://arxiv.org/abs/2001.06062