51 citations · 149 across the 23 of their papers we have counts for
4 papers · 1 filter
Predicting Psi-BN: computational insights into its mechanical, electronic, and optical characteristics
F. F. Monteiro, K. A. L. Lima, L. A. Ribeiro Junior
Computational materials are pivotal in advancing our understanding of distinct material classes and their properties, offering valuable insights in predicting novel structures and…
Lattice Thermal Conductivity of 2D Nanomaterials: A Simple Semi-Empirical Approach
R. M. Tromer, I. M. Felix, L. F. C. Pereira +3
Extracting reliable information on certain physical properties of materials, like thermal behavior, such as thermal transport, which can be very computationally demanding. Aiming t…
Elastocaloric Effect in Graphene Kirigami
Luiz A. Ribeiro Junior, Marcelo L. Pereira Junior, Alexandre F. Fonseca
Kirigami, a traditional Japanese art of paper-cutting, has recently been explored for its elastocaloric effect (ECE) in kirigami-based materials (KMs), where applying strain induce…
On the Mechanical, Electronic, and Optical Properties of 8-16-4 Graphyne: A 2D Carbon Allotrope with Dirac Cones
Raphael M. Tromer, Marcelo L. Pereira Junior, Kleuton A. L. Lima +4
Due to the success achieved by graphene, several 2D carbon-based allotropes were theoretically predicted and experimentally synthesized. We used density functional theory and react…