activity
20202025
most citedOn the Elastic Properties and Fracture Patterns of MoX2 (X = S, Se, Te) Membranes: A Reactive Molecular Dynamics Study

13 citations · 18 across the 5 of their papers we have counts for

collaborators

7 papers

physics.chem-ph20252 cited

Emamectin benzoate sensing using vivianenes (2D vivianites)

Surbhi Slathia, Bruno Ipaves, Raphael Benjamim de Oliveira +7

The excessive application of pesticides, particularly the overreliance on insecticides for the protection of desirable crops from pests, has posed a significant threat to both ecol…

cond-mat.mtrl-sci20212 cited

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…

cond-mat.mtrl-sci2021

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…

cond-mat.mtrl-sci20211 cited

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…

cond-mat.mtrl-sci202013 cited

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,…

cond-mat.mtrl-sci2020

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…