The possibility of storing hydrogen in γ-graphyne structures has been analyzed by computer simulation at Kashan University.
Hydrogen has the potential to replace current fossil fuels and become the main energy source for transportation. One of the main challenges of using hydrogen is storage.
A research team at Kashan University analyzed different sites for adsorption in γ-graphyne using density functional theory (DFT) calculations. Adsorption is the adhesion of atoms, ions or molecules from a gas, liquid or dissolved solid to a surface. In addition, optical and structural properties of the structures were examined. The study demonstrated that K-decorated graphyne can be a promising candidate for hydrogen storage applications.
The results of the project are published in the International Journal of Hydrogen Energy with an impact factor of 4.2
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