Effect of the crumpled graphene density on its sorption capacity: atomistic simulation

Abstract

Over the past few decades, many theoretical and experimental studies have been carried out to study the mechanical and physical properties of crumpled graphene (CG) [1-3]. It was found that carbon crumpled structures have properties due to which they are resistant to compression and tension [2-5]. An important advantage of carbon structures is a large specific surface area and a high rate of gas adsorption, which makes it possible to predict their use in hydrogen power engineering as a container for storing and transporting hydrogen [6-7].
Various structural parameters can affect the degree of hydrogen accumulation in crumpled graphene. For example, the amount of adsorbed hydrogen increases with the diameter of the carbon nanotube, as this increases the surface area on which hydrogen can be adsorbed.
However, the effect of density on the sorption properties of CG has not yet been studied in detail. In this regard, the purpose of this work was to evaluate the dependence of the sorption capacity on the density of the CG.
The structure of crumpled graphene was a complex of crumpled graphene flakes interconnected by van der Waals forces. The studied carbon structures had different densities due to different degrees of hydrostatic compression of crumpled graphene, which helped to vary the density and pore size.


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Nerkes Apkadirova
Ufa State Petroleum Technical University
Russia

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