Adsorption of H2 on Penta-Octa-Penta Graphene: Grand Canonical Monte Carlo Study
Publikationen: Beitrag in Fachzeitschrift › Artikel › Forschung › (peer-reviewed)
Autoren
Organisationseinheiten
Externe Organisationseinheiten
- 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
| Originalsprache | Englisch |
|---|---|
| Seitenumfang | 10 |
| Fachzeitschrift | C – journal of carbon research |
| Jahrgang | 6.2020 |
| Ausgabenummer | 2 |
| DOIs | |
| Status | Veröffentlicht - 1 Apr. 2020 |
