5 papers
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…
From 2D to 1D in beta-Naphthyne: A Porous Carbon Allotrope Merging Graphyne and Naphthylene
Jose A. S. Laranjeira, Kleuton A. L. Lima, Nicolas F. Martins +3
Two-dimensional (2D) carbon-based materials have attracted considerable interest due to their diverse structural and electronic properties, making them ideal for next-generation fl…
Anthraphenylenes: Porous 2D Carbon Monolayers with Biphenyl-Anthracene Frameworks and Type-II Dirac line nodes
K. A. L. Lima, José A. S. Laranjeira, Nicolas F. Martins +3
Carbon's versatility allows it to form diverse structures with unique properties, driven by its moderate electronegativity, small ionic radius, and ability to adopt \textit{sp}, \t…
Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope
K. A. L. Lima, D. A. da Silva, G. D. Amvame Nze +3
Two-dimensional (2D) carbon materials have been intensively investigated because of their distinctive structural framework and electronic behaviors as alternatives in energy conver…
TODD-Graphene: A Novel Porous 2D Carbon Allotrope for High-Performance Lithium-Ion Batteries
E. J. A. Santos, K. A. L. Lima, L. A. Ribeiro Junior
The class of 2D carbon allotropes has garnered significant attention due to its exceptional optoelectronic and mechanical properties, crucial for diverse device applications, such…