13 citations · 16 across the 4 of their papers we have counts for
6 papers
On the Thermomechanical Properties and Fracture Patterns of the Novel Nonbenzenoid Carbon Allotrope (Biphenylene Network): A Reactive Molecular Dynamics Study
M. L. Pereira Júnior, W. F. da Cunha, R. T. de Sousa Junior +3
Recently, a new two-dimensional carbon allotrope, named biphenylene network (BPN) was experimentally realized. The BPN structure is composed of four-, six-, and eight-membered ring…
Dynamics and Structural Transformations of Carbon Onion-Like under High-Velocity Impacts
M. L. Pereira Júnior, W. F. da Cunha, R. T. de Sousa Júnior +3
Carbon nano-onions (CNO) are multi-shell fullerenes. In the present work, we used fully atomistic reactive (ReaxFF) molecular dynamics simulations to study the dynamics and structu…
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…
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,…
Charge Density Wave Transport in Porous Graphene Nanoribbons
Wiliam F. da Cunha, Marcelo L. Pereira Júnior, William F. Giozza +3
Porous graphene (PG) forms a class of graphene-related materials with nanoporous architectures. Their unique atomic arrangements present interconnected networks with high surface a…
O2 Adsorption on Defective Penta-Graphene Lattices
Kleuton A. Lopes Lima, Marcelo L. Pereira Júnior, Fábio F. Monteiro +2
Penta-Graphene (PG) was theoretically proposed as a new carbon allotrope with a 2D structure. PG has revealed interesting gas sensing properties. Here, the structural and electroni…