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cond-mat.mtrl-sci2022★ 8 cited
A Computational Study On the Mechanical Properties of Pentahexoctite Single-layer: Combining DFT and Classical Molecular Dynamics Simulations
W. H. S. Brandão, A. L. Aguiar, L. A. Ribeiro Júnior +2
Studies aimed at designing new allotropic forms of carbon have received much attention. Recently, a new 2D graphene-like allotrope named Pentahexoctite was theoretically proposed.…
cond-mat.mtrl-sci2022
Fully Atomistic Molecular Dynamics Simulations of Elastic Properties of Tetragraphene Monolayer
Wjefferson H. S. Brandão, Acrisio L. Aguiar, Alexandre F. Fonseca +2
A quasi-2D semiconductor carbon allotrope called tetrahexcarbon, also named tetragraphene, was recently proposed featuring an unusual structure combining squared and hexagonal ring…