Zobrazeno 1 - 10
of 382
pro vyhledávání: '"Sousa, J. M."'
Autor:
De Sousa, J. M., Brandão, W. H. S., Silva, W. L. A. P., Junior, L. A. Ribeiro, Galvão, D. S., Júnior, M. L. Pereira
In a recent theoretical study, a new 2D carbon allotrope called pentagraphyne (PG-yne) was proposed. This allotrope is derived from pentagraphene by introducing acetylenic linkages between sp3 and sp2 hybridized carbon atoms. Due to its interesting e
Externí odkaz:
http://arxiv.org/abs/2306.07370
Autor:
Brandão, W. H. S., De Sousa, J. M., Aguiar, A. L., Galvão, D. S., Junior, L. A. Ribeiro, Fonseca, Alexandre F.
Pentahexoctite (PH) is a pure sp$^2$ hybridized planar carbon allotrope whose structure consists of a symmetric combination of pentagons, hexagons, and octagons. The proposed PH structure was shown to be an intrinsically metallic material exhibiting
Externí odkaz:
http://arxiv.org/abs/2303.04131
Autor:
De Sousa, J. M., Machado, L. D., Woellner, C. F., Medina, M., Autreto, P. A. S., Galvão, D. S.
In this work, we investigated the mechanical response and fracture dynamics of boron nitride nanotubes (BNNTs)-peapods under ultrasonic velocity impacts (from 1 km/s to 6 km/s) against a solid target. BNNT-peapods are BNNTs containing an encapsulated
Externí odkaz:
http://arxiv.org/abs/2208.00943
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/2208.00200
Studies aimed at designing new allotropic forms of carbon have received much attention. Recently, a new 2D graphene-like allotrope named Pentahexoctite was theoretically proposed. Pentahexoctite has a metallic signature, and its structure consists of
Externí odkaz:
http://arxiv.org/abs/2207.10133
Autor:
Brandão, Wjefferson H. S., Aguiar, Acrisio L., Fonseca, Alexandre F., Galvão, D. S., De Sousa, J. M.
A quasi-2D semiconductor carbon allotrope called tetrahexcarbon, also named tetragraphene, was recently proposed featuring an unusual structure combining squared and hexagonal rings. Mechanical and electronic properties of tetragraphene have been pre
Externí odkaz:
http://arxiv.org/abs/2207.10055
The novel carbon allotrope with particular and unique 2D arrangement of carbon atoms similar to a Cairo pentagonal tiling, with interplay of $sp^{3}$ and $sp^{2}$ hybridized carbon atoms is called of Penta-graphene (PG). Previous theoretical investig
Externí odkaz:
http://arxiv.org/abs/2105.08797
Autor:
Júnior, M. L. Pereira, de Araújo, C. M. Viana, de Sousa, J. M., Júnior, R. T. de Sousa, Júnior, L. F. Roncaratti, Giozza, W. F., Júnior, L. A. Ribeiro
Publikováno v:
Condensed Matter 5, 73, 2020
We carried out fully-atomistic reactive molecular dynamics simulations to study the elastic properties and fracture patterns of transition metal dichalcogenide (TMD) MoX2 (X=S, Se, Te) membranes, in their 2H and 1T phases, within the framework of the
Externí odkaz:
http://arxiv.org/abs/2010.11976
Carbon-based tubular materials have sparked a great interest for future electronics and optoelectronics device applications. In this work, we computationally studied the mechanical properties of nanotubes generated from popgraphene (PopNTs). Popgraph
Externí odkaz:
http://arxiv.org/abs/2010.03458
Autor:
Junior, M. L. Pereira, De Sousa, J. M., Brandão, W. H. S., Aguiar, A. L., Bizão, R. A., Junior, L. A. Ribeiro, Galvão, D. S.
Publikováno v:
Chemical Physics Letters, 2020, 756, 137830
Phagraphene (PhaG) is a quasi-planar 2D structure composed of $5-6-7$ ring sequence. We have investigated the structural and mechanical properties of phagraphene nanotubes (PhaNTs) through fully atomistic reactive molecular dynamics (MD) simulations.
Externí odkaz:
http://arxiv.org/abs/2007.01728