Graphyne

An advanced version of graphene, graphyne could conduct electrons to travel faster; a property that could possibly make the substance much more directly applicable to electronics than graphene itself.
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Technology Life Cycle

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R&D

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Technology Readiness Level (TRL)

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Graphyne

A two-dimensional material similar to graphene, composed of carbon atoms arranged in a hexagonal lattice. However, unlike graphene, graphyne has a more complex lattice structure with two types of carbon-carbon bonds, which give it some unique properties.

Graphyne has been proposed as a material with exceptional electronic and mechanical properties. It is predicted to be a better conductor of electricity than graphene due to the presence of π-electrons in its structure. Additionally, graphyne is predicted to have high tensile strength, stiffness, and stability, making it an excellent candidate for use in nanoelectronics and other applications.

One of the main advantages of graphyne is that it has the potential to solve some of the limitations of graphene. For example, graphyne's one-dimensional structure makes it easier to create electronic devices that are only a few nanometers wide, which could revolutionize the electronics industry. Additionally, the unique electronic properties of graphyne make it an attractive material for creating more efficient solar cells.

However, these properties follow the results of simulated calculations, so actual proof of graphyne's effectiveness will be on hold until it can actually be synthesized experimentally.

Future Perspectives

Just as graphene revolutionized several industries since it was first synthesized, graphyne's theoretical properties could also grant it the title of "wonder material." Beyond its electrical conductivity properties, scientists see great potential for this material with important uses in energy storage, biomedical applications, membrane materials for water purification and desalination, gas separation, and environmental remediation.

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Graphyne, a new two-dimensional periodic carbon allotrope with a one-atom-thick sheet of carbon built from triple- and double-bonded units of two sp- and sp2-hybridized carbon atoms, has been shown in recent studies to have the potential for high-density hydrogen and lithium storage. We report here a density functional theory (DFT) study of an oxygen reduction reaction (ORR) involving graphyne and demonstrate that graphyne is a good, metal-free electrocatalyst for ORRs in acidic fuel cells. We optimized the geometrical structure, calculated the charge densities on each carbon atom in the graphyne, and simulated each step of the ORR reaction involving graphyne. The simulation results indicate that the distribution of the charge density at each carbon atom on the graphyne plane is not uniform and that a large number of positively charged carbon atoms, which are beneficial to the adsorption of O2 and OOH+ molecules, can behave as catalytic sites to facilitate ORRs. When H+ is introduced into the system, a series of reactions can occur including the formation of an O–C chemical bond between oxygen and graphyne, breakage of the O–O bond, and the creation of water molecules. The results also indicate a decrease in the energy of the system and a positive value of the reversible potential for each reaction step on the graphyne surface. In addition, a spontaneous electron transformation process occurs during the ORR along a four-electron pathway. The results presented here should lead to an improvement in the catalytic efficiency of carbon nanomaterials and provide a theoretical framework for the analysis of their catalytic activity. This paper highlights the urgent need for new experimental syntheses for graphyne.
Graphyne and its family members (GFMs) are allotropes of carbon (a class of 2D materials) having unique properties in form of structures, pores and atom hybridizations. Owing to their unique properties, GFMs have been widely utilized in various practical and theoretical applications. In the past decade, GFMs have received considerable attention in the area of water purification and desalination, especially in theoretical and computational aspects. More recently, GFMs have shown greater prospects in achieving optimal separation performance than the experimentally derived commercial polyamide membranes. In this review, recent theoretical and computational advances made in the GFMs research as it relates to water purification and desalination are summarized. Brief details on the properties of GFMs and the commonly used computational methods were described. More specifically, we systematically reviewed the various computational approaches employed with emphasis on the predicted permeability and selectivity of the GFM membranes. Finally, the current challenges limiting their large-scale practical applications coupled with the possible research directions for overcoming the challenges are proposed.
Most attempts to synthesize graphynes are limited to using irreversible coupling reactions, which often result in the formation of nanometre-scale materials that lack long-range order. Here the periodically sp–sp2-hybridized carbon allotrope, γ-graphyne, was synthesized in bulk via a reversible dynamic alkyne metathesis of alkynyl-substituted benzene monomers. The balance between kinetic and thermodynamic control was managed through the simultaneous use of two different hexa-alkynyl-substituted benzenes as the comonomers to yield crystalline γ-graphyne. Additionally, the ABC staggered interlayer stacking of the graphyne was revealed using powder X-ray and electron diffraction. Finally, the folding behaviour of the few-layer graphyne was also observed on exfoliation, and showed step edges within a single graphyne flake with a height of 9 nm. The synthesis of graphynes has often been limited to using irreversible coupling reactions that are likely to result in materials that lack long-range order. Now, a periodically sp–sp2-hybridized carbon allotrope, γ-graphyne, is prepared using a reversible dynamic alkyne metathesis and managing the balance between kinetic and thermodynamic control. This material’s interlayer stacking and folding behaviour are also revealed.
A two-dimensional material made entirely of carbon called graphene won the Nobel Prize in 2010. Graphyne might be even better.

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