Zobrazeno 1 - 10
of 720
pro vyhledávání: '"Galvão, Douglas"'
Autor:
Dias, Alexandre C., Tromer, Raphael M., Gutiérrez, Humberto R., Galvão, Douglas S., Moujaes, Elie A.
We have investigated the Raman spectrum and excitonic effects of the novel two-dimensional Ta$_2$Ni$_3$Te$_5$ structure. The monolayer is an indirect band gap semiconductor with an electronic band gap value of 0.09 eV and 0.38 eV, determined using GG
Externí odkaz:
http://arxiv.org/abs/2409.16170
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
We proposed a new two-dimensional carbon material named 2-(111) planar T-carbon, which is obtained by slicing bulk T-carbon along its (111) crystallographic direction. 2-(111) planar T-carbon's optical and electrical properties can be engineered via
Externí odkaz:
http://arxiv.org/abs/2409.07329
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
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
Autor:
Gowda, Chinmayee Chowde, Kartsev, Alexey, Tiwari, Nishant, A, Safronov A., Pandey, Prafull, Roy, Ajit K., Ajayan, Pulickel M., Galvao, Douglas S., Tiwary, Chandra Sekhar
Two-dimensional (2D) chromium telluride Cr2Te3 exhibits strong ferromagnetic ordering with high coercivity at low temperatures and paramagnetic behaviour when approaching room temperature. The spin states of monolayer Cr2Te3 show ferromagnetic orderi
Externí odkaz:
http://arxiv.org/abs/2406.14381
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
Autor:
Andrade, Isaac M. Felix Fabiano M., Woellner, Cristiano F., Galvao, Douglas S., Tromer, Raphael M.
In the present work, we have carried out DFT simulations to investigate the electronic and optical properties of a porphyrin-based 2D crystal named 2D Diboron-Porphyrin (2DDP). We showed that it is possible to use strain to tune the 2DDP electronic p
Externí odkaz:
http://arxiv.org/abs/2405.16627