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Network Covalent Solids

Network Covalent Solids

Network covalent solids contain a three-dimensional network of covalently bonded atoms as found in the crystal structures of nonmetals like diamond, graphite, silicon, and some covalent compounds, such as silicon dioxide (sand) and silicon carbide (carborundum, the abrasive on sandpaper). Many minerals have networks of covalent bonds.
To break or to melt a covalent network solid, covalent bonds must be broken. Because covalent bonds are relatively strong, covalent network solids are typically...

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Ab Initio Simulation of Amorphous Graphite.

R Thapa¹, C Ugwumadu¹, K Nepal¹

¹Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute (NQPI), Ohio University, Athens, Ohio 45701, USA.

Physical Review Letters

|June 24, 2022

Summary

This summary is machine-generated.

Researchers simulated amorphous graphite formation, revealing a unique layering transition near 3000 K. This process creates ordered planes with disordered layers, impacting electronic transport in carbon materials.

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Area of Science:

Materials Science
Computational Chemistry
Condensed Matter Physics

Background:

Carbon materials exhibit a tendency to form sp² networks.
Graphite's layered structure is crucial for its properties.
Understanding amorphous carbon transformations is key to developing new materials.

Purpose of the Study:

To predict and characterize the formation of amorphous graphite.
To investigate the unique layering transition in carbon materials.
To analyze the structural and electronic consequences of this transition.

Main Methods:

Ab initio molecular dynamics simulations.
Analysis of structural ordering and dynamical properties.
Investigation of electronic transport properties.

Main Results:

Amorphous graphite forms via a unique layering transition near 3000 K and 2.2-2.8 g/cm³.
Layers consist of amorphous graphene with mixed polygonal structures (pentagons, hexagons, heptagons).
Partial ordering observed: long-range order in planes/galleries, topological disorder within planes.

Conclusions:

The transition results in partially ordered amorphous graphite with distinct structural features.
Non-Van der Waals interactions contribute to interplane cohesion.
The findings offer insights into layered material behavior and electronic transport in disordered systems.