4 papers
Theoretical Prediction of Three-Dimensional -free Graphyne-Based Nanomaterials via Density Functional Theory
Djardiel da S. Gomes, Alexandre F. Fonseca, Marcelo L. Pereira
The search for carbon-based materials with tailored dimensionality and properties remains an important topic in materials science, particularly for applications in electronics, pho…
Emergent Hierarchy in Localized States of Organic Quantum Chains
L. L. Lage, A. B. Félix, D. S. Gomes +2
Organic Quantum Chains (OQCs) represent a newly synthesized class of carbon-based nanostructures whose quasi-one-dimensional nature gives rise to unconventional electronic and tran…
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…
Predicting BN analogue of 8-16-4 graphyne: \textit{In silico} insights into its structural, electronic, optical, and thermal transport properties
Isaac M. Félix, Jessé M. Pontes, Djardiel S. Gomes +5
The boron nitride (BN) analogue of 8-16-4 graphyne, termed SBNyne, is proposed for the first time. Its physical properties were explored using first-principles calculations and cla…