10 papers
Sodium-Decorated Ennea-Graphene: A Novel 2D Carbon Allotrope for High-Capacity Hydrogen Storage
Bill D. Aparicio Huacarpuma, José A. S. Laranjeira, Nicolas F. Martins +4
The development of safe, efficient, and reversible hydrogen storage materials is critical for advancing hydrogen-based energy technologies and achieving carbon-neutral goals. Ennea…
Sodium-Decorated P-C3N: A Porous 2D Framework for High-Capacity and Reversible Hydrogen Storage
Jose A. S. Laranjeira, Nicolas F. Martins, Kleuton A. L. Lima +4
The development of reversible hydrogen storage materials has become crucial for enabling carbon-neutral energy systems. Based on this, the present work investigates the hydrogen st…
Propylenidene: A Novel Metallic Carbon Monolayer with Unconventional Ring Topology
Jose A. S. Laranjeira, K. A. L. Lima, Nicolas F. Martins +3
Two-dimensional (2D) carbon allotropes have drawn significant interest owing to their impressive physical and chemical characteristics. Following graphene's isolation, a wide range…
Alpha-, Beta-, and Gamma-TODD-G: Novel 2D Planar Carbon Allotropes
Kleuton A. L. Lima, Jose A. S. Laranjeira, Alysson M. A. Silva +5
We present a comprehensive first-principles investigation of three novel two-dimensional carbon allotropes: alpha-, beta-, and gamma-TODD-Graphene (TODD-G), composed of 3-8-12-16,…
-Irida-Graphene: A New 2D Carbon Allotrope for Sodium-Ion Battery Anodes
José A. S. Laranjeira, Kleuton A. L. Lima, Nicolas F. Martins +4
The quest for sustainable and efficient energy storage has driven the exploration of sodium-ion batteries (SIBs) as promising alternatives to lithium-ion systems. However, the larg…
Potassium Decoration on Graphenyldiene Monolayer for Advanced Reversible Hydrogen Storage
Jose A. S. Laranjeira, Nicolas F. Martins, Kleuton A. L. Lima +5
Potassium-decorated graphenyldiene (K@GPD) is investigated as a promising two-dimensional material for reversible hydrogen storage using first-principles density functional theory…