16 citations · 38 across the 7 of their papers we have counts for
7 papers
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…
A Computational Study On the Mechanical Properties of Pentahexoctite Single-layer: Combining DFT and Classical Molecular Dynamics Simulations
W. H. S. Brandão, A. L. Aguiar, L. A. Ribeiro Júnior +2
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.…
Fully Atomistic Molecular Dynamics Simulations of Elastic Properties of Tetragraphene Monolayer
Wjefferson H. S. Brandão, Acrisio L. Aguiar, Alexandre F. Fonseca +2
A quasi-2D semiconductor carbon allotrope called tetrahexcarbon, also named tetragraphene, was recently proposed featuring an unusual structure combining squared and hexagonal ring…
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)…
Structural and Electronic Properties of Defective AlN/GaN Hybrid Nanostrutures
Ramiro Marcelo dos Santos, Acrisio Lins de Aguiar, Jonathan da Rocha Martins +3
Due to the wide range of possible applications, atomically thin two-dimensional heterostructures have attracted much attention. In this work, using first-principles calculations, w…
Mechanical Properties of Phagraphene Membranes: A Fully Atomistic Molecular Dynamics Investigation
Jose M. de Sousa, Acrisio L. Aguiar, Eduardo C. Girao +3
Recently, a new 2D carbon allotrope structure, named phagraphene (PG), was proposed. PG has a densely array of penta-hexa-hepta-graphene carbon rings. PG was shown to present low a…
Mechanical Properties of Pentagraphene-based Nanotubes: A Molecular Dynamics Study
Jose M. de Sousa, Acrisio L. Aguiar, Eduardo C. Girão +3
The study of the mechanical properties of nanostructured systems has gained importance in theoretical and experimental research in recent years. Carbon nanotubes (CNTs) are one of…