Adsorption of H2 on Penta-Octa-Penta Graphene: Grand Canonical Monte Carlo Study
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- Materials Center Leoben Forschungs GmbH
Abstract
In this paper, we report the results of hydrogen adsorption properties of a new 2D carbon-based material, consisting of pentagons and octagons (Penta-Octa-Penta-graphene or POP-graphene), based on the Grand-Canonical Monte Carlo simulations. The new material exhibits a moderately higher gravimetric uptake at cryogenic temperatures (77 K), as compared to the regular graphene. We discuss the origin of the enhanced uptake of POP-graphene and offer a consistent explanation.
Details
| Original language | English |
|---|---|
| Number of pages | 10 |
| Journal | C – journal of carbon research |
| Volume | 6.2020 |
| Issue number | 2 |
| DOIs | |
| Publication status | Published - 1 Apr 2020 |
