4 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…