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From Pure Mathematics to Macroscale Applications: The Genesis of Schwarzites
Levi C. Felix, Rushikesh Ambekar, Raphael M. Tromer +5
Schwarzites are porous (spongy-like) carbon allotropes with negative Gaussian curvatures. They were proposed by Mackay and Terrones inspired by the works of the German mathematicia…
Transforming 2D carbon allotropes into 3D ones through topological mapping: The case of biphenylene carbon (graphenylene)
Raphael M. Tromer, Levi C. Felix, Ray H. Baughmann +2
In this work, we propose a new methodology for obtaining 3D carbon allotrope structures from 2D ones through topological mapping. The idea is to select a 3D target structure and 's…
Hydrogen atom/molecule adsorption on 2D metallic porphyrin: A first-principles study
Raphael M. Tromer, Isaac M. Felix, Levi C. Felix +3
Hydrogen is a promising element for applications in new energy sources like fuel cells. One key issue for such applications is storing hydrogen. And, to improve storage capacity, u…
The Effect of Element Composition on the Structural and Electronic Properties of Carbon, Silicon, Silicon Carbide, and Boron Nitride Gyroid Schwarzites
Raphael M. Tromer, Levi C. Felix, Cristiano F. Woellner +1
Schwarzites are porous structures that present negative Gaussian curvatures. Although initially proposed for carbon, in principle, schwarzites of other elements are possible. In th…
'Guided' Fractures in Graphene Mechanical Diode-like Structures
Levi C. Felix, Douglas S. Galvao
The concept of the diode is usually applied to electronic and thermal devices but very rarely for mechanical ones. A recently proposed fracture rectification effect in polymer-base…
Mechanical Response of Pentadiamond: A DFT and Molecular Dynamics Study
Levi C. Felix, Raphael M. Tromer, Cristiano F. Woellner +2
Pentadiamond is a recently proposed new carbon allotrope consisting of a network of pentagonal rings where both sp and sp hybridization are present. In this work we investi…
Optoelectronic Properties of Amorphous Carbon-Based Nanotube and Nanoscroll
Raphael M. Tromer, Levi C. Felix, Luiz A. Ribeiro +1
Free-standing monolayer amorphous carbon (MAC) is a pure carbon structure composed of randomly distributed atom rings with different sizes, which was recently synthesized. In this…
On the Structural Stability and Optical Properties of Germanium-based Schwarzites: A Density Functional Theory Investigation
Raphael M. Tromer, Levi C. Felix, Cristiano F. Woellner +1
Since graphene was synthesized the interest for building new 2D and 3D structures based on the carbon allotropes has been growing every day. One of these 3D structures is know as c…
On the Mechanical and Thermal Stability of Free-standing Monolayer Amorphous Carbon
Levi C. Felix, Raphael M. Tromer, Luiz A. Ribeiro Junior +1
Recently (C.-T. Toh et al., Nature 577, 199 (2020)), the first synthesis of free-standing monolayer amorphous carbon (MAC) was achieved. MAC is a pure carbon structure composed of…
Carbon Schwarzites Behavior Under Ballistic Impacts
Levi C. Felix, Cristiano F. Woellner, Douglas S. Galvao
Schwarzites are 3D crystalline porous materials exhibiting the shape of Triply Periodic Minimal Surfaces (TPMS). They possess negative Gaussian curvature, created by the presence o…
Mechanical and Energy-absorption Properties of Schwarzites
Levi C. Felix, Cristiano F. Woellner, Douglas S. Galvao
We investigated through fully atomistic molecular dynamics simulations, the mechanical behavior (compressive and tensile) and energy absorption properties of two families (primitiv…