56 citations · 168 across the 19 of their papers we have counts for
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Boron Nitride Nanotube Peapod under Ultrasonic Velocity Impacts: A Fully Atomistic Molecular Dynamics Investigation
J. M. De Sousa, L. D. Machado, C. F. Woellner +3
In this work, we investigated the mechanical response and fracture dynamics of boron nitride nanotubes (BNNTs)-peapods under ultrasonic velocity impacts (from 1 km/s to 6 km/s) aga…
Dynamical Formation of Graphene and Graphane Nanoscrolls
M. L. Pereira Júnior, L. A. Ribeiro Júnior, D. S. 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…
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…