10 citations · 20 across the 6 of their papers we have counts for
6 papers
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…
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…
Intrinsic Properties of Bipolarons in Armchair Graphene Nanoribbons
Gesiel G. Silva, Wiliam F. da Cunha, Marcelo L. Pereira Junior +2
We performed an investigation concerning bipolaron dynamics in armchair graphene nanoribbons (AGNRs) under the influence of different electric field and electron-phonon coupling re…
Charge Transport Mechanism in Chevron--Graphene Nanoribbons
Marcelo Lopes Pereira Junior, Wiliam Ferreira da Cunha, Rafael Timoteo de Sousa Junior +3
From the moment atomic precision control of the growth process of graphene was achieved, more elaborated carbon allotropes were proposed opening new channels for flat optoelectroni…
Tuning Magnetic Properties of Penta-Graphene Bilayers Through Doping with Boron and Oxygen
Ramiro M. dos Santos, Wiliam F. da Cunha, Rafael T. de Sousa Junior +2
Penta-graphene (PG) is a carbon allotrope that has recently attracted the attention of the materials science community due to its interesting properties for renewable energy applic…
Fitting potential energy surface of reactive system via genetic algorithm
Wiliam Ferreira da Cunha, Luiz Fernando Roncaratti, Ricardo Gargano +1
In this work, we present a new fitting of the Na+HF potential energy surface (PES) utilizing a new optmization method based in Genetic Algorithm. Topology studies, such as isoenerg…