5 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 +22
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…
From Glaphene to Glaphynes: A Hybridization of 2D Silica Glass and Graphynes
Guilherme S. L. Fabris, Raphael B. de Oliveira, Marcelo L. Pereira Junior +3
Hybrid two-dimensional (2D) materials have attracted increasing interest as platforms for tailoring electronic properties through interfacial design. Very recently, a novel hybrid…
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…