Zobrazeno 1 - 10
of 501
pro vyhledávání: '"Galvao, Douglas S."'
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
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:
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
Autor:
Tromer, Raphael M., Júnior, L. A. Ribeiro, Galvão, Douglas S., Dias, Alexandre C., Moujaes, Elie A.
Two-dimensional carbon allotropes have attracted much attention due to their extraordinary optoelectronic and mechanical properties, which can be exploited for energy conversion and storage applications. In this work, we use density functional theory
Externí odkaz:
http://arxiv.org/abs/2401.17406
Autor:
Slathia, Surbhi, Wei, Cencen, Tripathi, Manoj, Tromer, Raphael, Negedu, Solomon Demiss, Boland, Conor, Sarkar, Suman, Galvao, Douglas S., Dalton, Alan, Tiwary, Chandra Sekhar
Two dimensional (2D) layered transition-metal-based tellurides (chalcogens) are known to harness their surface atoms characteristics to enhance topographical activities for energy conversion, storage, and magnetic applications. High surface energy du
Externí odkaz:
http://arxiv.org/abs/2311.08994
Autor:
Ambekar, Rushikesh S., Bastos, Leonardo V., Galvao, Douglas S., Tiwary, Chandra S., Woellner, Cristiano F.
The topologically engineered complex Schwarzites architecture has been used to build novel and unique structural components with a high specific strength. The mechanical properties of these building blocks can be further tuned, reinforcing with stron
Externí odkaz:
http://arxiv.org/abs/2307.04540
Autor:
Bastos, Leonardo V., Ambekar, Rushikesh S., Tiwary, Chandra S., Galvao, Douglas S., Woellner, Cristiano F.
We carried out fully atomistic reactive molecular dynamics simulations to study the mechanical behavior of six newly proposed hybrid schwarzite-based structures (interlocked petal-schwarzites). Schwarzites are carbon crystalline nanostructures with n
Externí odkaz:
http://arxiv.org/abs/2307.02660