4 papers
Topology as a Design Variable for Multiproperty Engineering in Synthesized 4-5-6-8 Carbon Nanoribbons
Djardiel da S. Gomes, Isaac M. Felix, Lucas L. Lage +5
Nonbenzenoid carbon frameworks expand low-dimensional material design via controlled asymmetry. Here, we show the experimentally realized 4-5-6-8 carbon nanoribbon establishes a to…
Computational Characterization of the Recently Synthesized Pristine and Porous 12-Atom-Wide Armchair Graphene Nanoribbon
Djardiel da S. Gomes, Isaac M. Felix, Willian F. Radel +3
Recently synthesized Porous 12-Atom-Wide Armchair Graphene Nanoribbons Nano Lett. 2024, 24, 10718-10723 exhibit tunable properties through periodic porosity, enabling precise contr…
Irida-Graphene Phonon Thermal Transport via Non-equilibrium Molecular Dynamics Simulations
Isaac M. Felix, Raphael M. Tromer, Leonardo D. Machado +3
Recently, a new 2D carbon allotrope called Irida-Graphene (Irida-G) was proposed. Irida-G consists of a flat sheet topologically arranged into 3-6-8 carbon rings exhibiting metalli…
Tuning the Electronic and Optical Properties of Two-Dimensional Diboron-Porphyrin by Strain Engineering: A Density Functional Theory Investigation
Isaac M. Felix Fabiano M. Andrade, Cristiano F. Woellner, Douglas S. Galvao +1
In the present work, we have carried out DFT simulations to investigate the electronic and optical properties of a porphyrin-based 2D crystal named 2D Diboron-Porphyrin (2DDP). We…