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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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Application of Monolayer Graphene to Cryo-Electron Microscopy Grids for High-resolution Structure Determination

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Mechanical properties of graphyne monolayers: a first-principles study.

Qing Peng¹, Wei Ji, Suvranu De

¹Department of Mechanical, Aerospace and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180, USA. qpeng.org@gmail.com

Physical Chemistry Chemical Physics : PCCP

|September 4, 2012

Summary

Graphyne monolayers exhibit lower stiffness and higher deformability than graphene. Their mechanical properties, including bond vulnerability and elastic constants, were analyzed, suggesting potential applications in sensors and waveguides.

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Area of Science:

Materials Science
Condensed Matter Physics
Computational Chemistry

Background:

Graphene's exceptional mechanical properties have spurred interest in related 2D materials.
Graphyne, a carbon allotrope, presents a unique structural motif with potential for novel electronic and mechanical behaviors.

Purpose of the Study:

To investigate the mechanical properties of graphyne monolayers.
To compare graphyne's mechanical response to that of graphene.
To explore the theoretical underpinnings of graphyne's elasticity and deformation.

Main Methods:

First-principles calculations based on Density Functional Theory (DFT).
Formulation of a continuum description using Taylor expansion of elastic strain energy density.
Analysis of elastic constants up to the tenth order.

Main Results:

Graphyne monolayers possess a lower in-plane Young's modulus (162 N m⁻¹) and a higher Poisson ratio (0.429) than graphene.
Graphyne sustains large nonlinear elastic deformations up to 0.2 strain before failure.
Single bonds in graphyne are more susceptible to rupture than triple or aromatic bonds.

Conclusions:

The detailed elastic characterization provides a foundation for understanding graphyne's mechanical behavior.
Predicted pressure effects on elastic constants offer insights into material response under varying conditions.
Graphyne's unique mechanical properties suggest potential for applications in surface acoustic wave sensors and waveguides via controlled strain engineering.