2 papers
cond-mat.mtrl-sci2023
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…
cond-mat.mtrl-sci2020
O2 Adsorption on Defective Penta-Graphene Lattices
Kleuton A. Lopes Lima, Marcelo L. Pereira Júnior, Fábio F. Monteiro +2
Penta-Graphene (PG) was theoretically proposed as a new carbon allotrope with a 2D structure. PG has revealed interesting gas sensing properties. Here, the structural and electroni…