15 citations · 41 across the 8 of their papers we have counts for
8 papers · 1 filter
Dynamical Formation of Graphene and Graphane Nanoscrolls
Marcelo Lopes Pereira Júnior, Luiz Antonio Ribeiro Júnior, Douglas Soares Galvão +1
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 se…
Atomistic Computational Modeling of Temperature Effects in Fracture Toughness and Degradation of Penta-graphene Monolayer
W. H. S. Brandão, A. L. Aguiar, J. M. De Sousa
The novel carbon allotrope with particular and unique 2D arrangement of carbon atoms similar to a Cairo pentagonal tiling, with interplay of and hybridized carbon…
On the Elastic Properties and Fracture Patterns of MoX2 (X = S, Se, Te) Membranes: A Reactive Molecular Dynamics Study
M. L. Pereira Júnior, C. M. Viana de Araújo, J. M. de Sousa +4
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,…
On the Elastic Properties of Single-Walled Phagraphene Nanotubes
M. L. Pereira Junior, J. M. De Sousa, W. H. S. Brandão +4
Phagraphene (PhaG) is a quasi-planar 2D structure composed of ring sequence. We have investigated the structural and mechanical properties of phagraphene nanotubes (PhaNTs)…
Carbon Nanotube Peapods Under High-Strain Rate Conditions: A Molecular Dynamics Investigation
J. M. De Sousa, C. F. Woellner, L. D. Machado +2
New forms of carbon-based materials have received great attention, and the developed materials have found many applications in nanotechnology. Interesting novel carbon structures i…
Elastic and Fracture Properties of Single Walled Pentagraphene Nanotubes
J. M. De Sousa, A. L. Aguiar, E. C. Girão +3
Membranes of carbon allotropes comprised solely of densely packed pentagonal rings, known as pentagraphene, exhibit negative Poisson's ratio (auxetic behavior) and a bandgap of $3.…