2 citations · 4 across the 5 of their papers we have counts for
6 papers
Stacking-Tunable Electronic Properties in Recently Synthesized Hydrogen-Substituted Graphdiyne
Guilherme S. L. Fabris, Raphael B. de Oliveira, Bruno Ipaves +2
Recent progress in porous carbon materials has highlighted the importance of structural design in controlling emergent physicochemical properties. In this context, hydrogen-substit…
Diamond-to-graphite transformation under hypersonic impact
Abhijit Biswas, Aniket Mote, Rajib Sahu +19
Diamond to graphite transformation is a complex kinetically driven process which has been studied under various conditions for its fundamental importance. We report the transformat…
Novel 3D Pentagraphene Allotropes: Stability, Electronic, Mechanical, and Optical Properties
I. M. Félix, B. Ipaves, R. B. de Oliveira +5
Carbon-based materials have attracted great attention due to their exceptional structural diversity and wide-ranging applications. Recently, a new two-dimensional carbon allotrope,…
Unraveling Mn intercalation and diffusion in NbSe bilayers through DFTB simulations
Bruno Ipaves, Raphael B. de Oliveira, Guilherme da Silva Lopes Fabris +2
Understanding transition metal atoms' intercalation and diffusion behavior in two-dimensional (2D) materials is essential for advancing their potential in spintronics and other eme…
Nanomechanical behavior of pentagraphyne-based single-layer and nanotubes through reactive classical molecular dynamics
J. M. De Sousa, W. H. S. Brandão, W. L. A. P. Silva +3
In a recent theoretical study, a new 2D carbon allotrope called pentagraphyne (PG-yne) was proposed. This allotrope is derived from pentagraphene by introducing acetylenic linkages…
On the Mechanical Properties of Popgraphene-based Nanotubes: a Reactive Molecular Dynamics Study
W. H. S. Brandão, A. L. Aguiar, L. A. Ribeiro +2
Carbon-based tubular materials have sparked a great interest for future electronics and optoelectronics device applications. In this work, we computationally studied the mechanical…