16 citations · 72 across the 8 of their papers we have counts for
3 papers · 1 filter
Nanomechanical behavior of pentagraphyne-based single-layer and nanotubes through reactive classical molecular dynamics
J. M. De Sousa, W. H. S. Brandão, W. L. A. P. Silva +3
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…
First-Principles and Reactive Molecular Dynamics Study of the Elastic Properties of Pentahexoctite-based Nanotubes
W. H. S. Brandão, J. M. De Sousa, A. L. Aguiar +3
Pentahexoctite (PH) is a pure sp hybridized planar carbon allotrope whose structure consists of a symmetric combination of pentagons, hexagons, and octagons. The proposed PH st…
Exploring the Elastic Properties and Fracture Patterns of Me-Graphene Monolayers and Nanotubes through Reactive Molecular Dynamics Simulations
Marcelo L. Pereira Junior, José. M. De Sousa, Wjefferson H. S. Brandão +3
Me-graphene (MeG) is a novel two-dimensional (2D) carbon allotrope. Due to its attractive electronic and structural properties, it is important to study the mechanical behavior of…