12 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…
Alignment behavior of 2D diopsides (d-silicates) under the influence of an AC electric field
Himakshi Mishra, Surbhi Slathia, Bruno Ipaves +8
Controlling the alignment of two dimensional (2D) materials is crucial for optimizing their electronic and mechanical properties in next generation devices. This study explores how…
Magnetism Induced by Azanide and Ammonia Adsorption in Defective Molybdenum Disulfide and Diselenide: A First-Principles Study
Guilherme S. L. Fabris, Bruno Ipaves, Raphael B. Oliveira +3
Two-dimensional (2D) transition metal dichalcogenides (TMDs) have attracted considerable attention due to their tunable structural, electronic, and spin-related properties, particu…
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,…
On the Electronic, Mechanical and Optical Properties of Superhard Cross-Linked Carbon Nanotubes (Tubulanes)
Raphael M. Tromer, Bruno Ipaves, Marcelo L. Pereira Junior +3
We have investigated the electronic, optical, and mechanical properties of six structures belonging to the Tubulanes-cross-linked carbon nanotube family. Our results highlight the…
Nanoscale mechanics and ultralow Friction of natural 2D silicates: Biotite and Rhodonite
Surbhi Slathia, Manoj Tripathi, Raphael Benjamim de Oliveira +12
Two-dimensional (2D) silicates have emerged as a promising class of ultrathin materials, expanding the landscape of 2D systems beyond conventional van der Waals crystals. Their uni…