51 citations · 149 across the 23 of their papers we have counts for
4 papers · 1 filter
2D Porphyrazine: A New Nanoporous Material
R. M. Tromer, M. L. Pereira Junior, L. A. Ribeiro Junior +1
Crystalline microporous materials are solids formed by interconnected pores of less than 2 nm in size. Typically, they possess large surface areas desirable for versatile applicati…
Irida-Graphene: A New 2D Carbon Allotrope
M. L. Pereira Junior, W. F. da Cunha, W. F. Giozza +2
Several 2D carbon-based materials have been computationally designed in the last years due to the success achieved by graphene. Here, we propose a new 2D all-sp carbon allotrop…
Dynamical Formation of Graphene and Graphane Nanoscrolls
M. L. Pereira Júnior, L. A. Ribeiro Júnior, D. S. Galvão +1
Carbon nanoscrolls (CNSs) are nanomaterials with geometry resembling graphene layers rolled up into a spiral (papyrus-like) form. Effects of hydrogenation and temperature on the se…
Thermal Stability and Fracture Patterns of a Recently Synthesized Monolayer Fullerene Network: A Reactive Molecular Dynamics Study
L. A. Ribeiro Junior, M. L. Pereira Júnior, W. F. Giozza +2
New monolayer 2D carbon structures, namely qHPC60 and qTPC60, were recently synthesized by covalently bonding C60 polymers. Here, we carried out Reactive (ReaxFF) molecular dynamic…