13 citations · 45 across the 8 of their papers we have counts for
8 papers
Evaluation of Peppermint Leaf Flavonoids as SARS-CoV-2 Spike Receptor-Binding Domain Attachment Inhibitors to the Human ACE2 Receptor: A Molecular Docking Study
M. L. Pereira Júnior, R. T. de Sousa Junior, G. D. Amvame Nze +2
Virtual screening is a computational technique widely used for identifying small molecules which are most likely to bind to a protein target. Here, we performed a molecular docking…
Electronic and Structural Properties of Janus SMoSe/MoX (X=S,Se) In-plane Heterojunctions: A DFT Study
Ramiro M. dos Santos, Wiliam F. da Cunha, William F. Giozza +3
The electronic and structural properties of Janus MoSSe/MoX (X=S,Se) in-plane heterojunctions, endowed with single-atom vacancies, were studied using density functional theory…
A DFT Study on the Electronic Structure of In-Plane Heterojunctions of Graphene and Hexagonal Boron Nitride Nanoribbons
Ramiro M. dos Santos, William F. Giozza, Rafael T. de Sousa Júnior +3
The structural similarity between hexagonal boron nitride (h-BN) and graphene nanoribbons allows for the formation of heterojunctions with small chain stress. The combination of th…
On the Electronic Structure of a Recently Synthesized Graphene-like BCN Monolayer from bis-BN Cyclohexane: A DFT Study
Ramiro M. dos Santos, William F. Giozza, Rafael T. de Sousa Júnior +2
Since the rising of graphene, boron nitride monolayers have been deeply studied due to their structural similarity with the former. A hexagonal graphene-like boron-carbon-nitrogen…
Theoretical Prediction of Electron Mobility in Birhodanine Crystals and their Sulfur Analogues
Carlos Alberto Moreira de Melo Neto, Marcelo Lopes Pereira Junior, Luiz Antonio Ribeiro Junior +1
Molecular crystals compose the current state of the art when it comes to organic-based optoelectronic applications. Charge transport is a crucial aspect of their performance. The a…
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…
Thermomechanical Insight into the Stability of Nanoporous Graphene Membranes
Marcelo Lopes Pereira Junior, Luiz Antonio Ribeiro Junior
Porous graphene (PG) is a graphene derivative endowed of nanoporous architectures. This material possesses a particular structure with interconnected networks of high pore volume,…
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…